data_r5l59sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-07-06 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5l59 
_cell.length_a      139.9900 
_cell.length_b      196.4498 
_cell.length_c      144.9403 
_cell.angle_alpha   90.0000 
_cell.angle_beta    94.5700 
_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   1.07190 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   6.000 
_diffrn_reflns.pdbx_d_res_low    144.480 
_diffrn_reflns.limit_h_max       23 
_diffrn_reflns.limit_h_min       -23 
_diffrn_reflns.limit_k_max       32 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       24 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            19699 
_diffrn_reflns.pdbx_number_obs   19625 
# 
_entry.id   5l59 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5l59 
_symmetry.space_group_name_H-M   "P 1 21 1" 
_symmetry.Int_Tables_number      4 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"       
2 "-X,  Y+1/2,  -Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
_refln.pdbx_F_plus 
_refln.pdbx_F_plus_sigma 
_refln.pdbx_F_minus 
_refln.pdbx_F_minus_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -23 0  1  o 254.5023 106.6668 4.794660       3.368475  4.794660       3.368475  4.794660       3.368475  254.5023 150.8497 254.5023 150.8497 -0.000000      0.000000 
1 1 1 -23 0  2  o 169.5598 78.94175 1.077647       2.442260  1.077647       2.442260  1.077647       2.442260  169.5598 111.6405 169.5598 111.6405 0.000000       0.000000 
1 1 1 -23 0  3  o 156.4882 74.29209 0.5024012      2.348699  0.5024012      2.348699  0.5024012      2.348699  156.4882 105.0649 156.4882 105.0649 0.000000       0.000000 
1 1 1 -23 0  4  o 173.2905 80.81508 1.241339       2.577249  1.241339       2.577249  1.241339       2.577249  173.2905 114.2898 173.2905 114.2898 0.000000       0.000000 
1 1 1 -23 0  5  o 152.9979 73.81203 0.2436754      2.510588  0.2436754      2.510588  0.2436754      2.510588  152.9979 104.3860 152.9979 104.3860 -0.000000      0.000000 
1 1 1 -23 1  1  o 273.9586 80.89313 2.105294       2.306922  -3.481206      3.238729  7.858733       3.286763  179.1964 89.28931 368.7208 134.9156 -189.5244      161.7863 
1 1 1 -23 1  2  o 183.3529 62.98651 -1.850526      1.887053  -4.179766      2.725910  0.2929299      2.614940  160.1077 80.10452 206.5981 97.22379 -46.49045      125.9730 
1 1 1 -23 1  3  o 193.1523 65.27635 -0.6219829     1.812186  0.2795245      2.527692  -1.575402      2.599450  204.9829 96.18412 181.3217 88.27585 23.66125       130.5527 
1 1 1 -23 1  4  o 331.2268 78.63570 4.559690       1.843203  1.314991       2.470177  8.635868       2.768647  222.1628 100.9021 440.2909 120.6361 -218.1281      157.2714 
1 1 1 -23 1  5  o 214.7258 69.96321 0.8839824      1.780956  1.748309       2.500229  -0.6298067E-02 2.537489  230.0108 103.2571 199.4409 94.43181 30.56987       139.9264 
1 1 1 -23 2  1  o 249.3491 81.10563 2.434915       2.386226  0.4777627      3.270993  4.661381       3.488794  217.4791 104.1508 281.2191 124.3587 -63.74005      162.2113 
1 1 1 -23 2  2  o 373.5124 89.15940 7.515318       2.193714  5.355692       3.292435  9.239503       2.941845  301.8379 126.9212 445.1870 125.2542 -143.3491      178.3188 
1 1 1 -23 2  3  o 246.4520 77.09156 2.366276       1.934437  1.228285       2.749552  3.481629       2.722068  223.3308 103.2727 269.5731 114.4866 -46.24229      154.1831 
1 1 1 -23 2  4  o 280.0577 79.03203 3.707251       1.789831  4.733835       2.369320  2.342767       2.731560  316.6562 114.7483 243.4593 108.7063 73.19690       158.0641 
1 1 1 -23 2  5  o 252.5560 76.30643 1.490498       2.297977  5.977682       2.859550  -6.690695      3.861172  332.3546 125.0492 172.7574 87.48363 159.5972       152.6129 
1 1 1 -23 3  1  o 215.6065 72.89919 0.5541395      2.210248  0.4083643      2.844544  0.7762508      3.511205  209.2499 99.33954 221.9631 106.7184 -12.71318      145.7984 
1 1 1 -23 3  2  o 200.3525 69.12151 -0.9775531     2.288944  -0.6673093     3.109532  -1.344478      3.381677  201.3223 97.67511 199.3827 97.82997 1.939590       138.2430 
1 1 1 -23 3  3  o 257.8158 80.97710 3.162723       2.115703  3.023027       2.997226  3.301459       2.986914  255.0146 113.8676 260.6169 115.1665 -5.602310      161.9542 
1 1 1 -23 3  4  o 249.9526 80.87257 1.671552       2.134130  -0.5700715     2.583305  6.489720       3.787349  191.5550 91.95251 308.3501 133.0648 -116.7951      161.7451 
1 1 1 -23 3  5  o 267.6721 84.85476 3.778670       2.291647  2.839140       2.860631  5.461757       3.828774  249.6119 111.3644 285.7324 128.0597 -36.12051      169.7095 
1 1 1 -23 4  1  o 260.9425 82.38112 3.317580       2.671309  6.400340       3.253208  -3.063399      4.680429  318.5860 129.2661 203.2990 102.1610 115.2870       164.7622 
1 1 1 -23 4  2  o 314.4706 89.30752 6.269581       2.387743  7.291149       2.975323  4.421327       4.002042  362.7597 128.9288 266.1815 123.6151 96.57813       178.6150 
1 1 1 -23 4  3  o 206.1247 71.21120 -0.6777334     2.482967  0.6163649      2.953336  -3.797818      4.585773  212.8822 101.1100 199.3672 100.3041 13.51500       142.4224 
1 1 1 -23 4  4  o 272.1884 89.55077 5.098582       3.098546  6.444745       4.050102  3.198577       4.811657  295.5563 132.1389 248.8204 120.8994 46.73586       179.1015 
1 1 1 -23 5  1  o 205.8187 102.1491 -3.989157      3.057688  -1.058535      4.072042  -7.777801      4.629927  205.8187 102.1491 ?        ?        ?              ?        
1 1 1 -23 5  2  o 198.2937 98.77128 -5.159173      2.950811  -2.041475      3.949022  -9.100619      4.440178  198.2937 98.77128 ?        ?        ?              ?        
1 1 1 -23 5  3  o 241.7689 82.15731 0.8098739      2.525693  -2.386901      3.009257  8.429014       4.645754  178.7692 88.56512 304.7685 138.4034 -125.9992      164.3146 
1 1 1 -22 0  1  o 172.8334 81.56946 0.6057322      2.758816  0.6057322      2.758816  0.6057322      2.758816  172.8334 115.3566 172.8334 115.3566 -0.000000      0.000000 
1 1 1 -22 0  2  o 131.1028 65.67358 -1.991589      2.560122  -1.991589      2.560122  -1.991589      2.560122  131.1028 92.87647 131.1028 92.87647 -0.000000      0.000000 
1 1 1 -22 0  3  o 216.4010 91.43193 2.520641       2.511657  2.520641       2.511657  2.520641       2.511657  216.4010 129.3043 216.4010 129.3043 -0.000000      0.000000 
1 1 1 -22 0  4  o 93.03908 48.15083 -4.309074      2.024377  -4.309074      2.024377  -4.309074      2.024377  93.03908 68.09555 93.03908 68.09555 0.000000       0.000000 
1 1 1 -22 0  5  o 121.9284 60.58971 -1.403404      2.042929  -1.403404      2.042929  -1.403404      2.042929  121.9284 85.68678 121.9284 85.68678 0.000000       0.000000 
1 1 1 -22 0  6  o 260.5605 102.2031 4.068091       2.806385  4.068091       2.806385  4.068091       2.806385  260.5605 144.5370 260.5605 144.5370 0.000000       0.000000 
1 1 1 -22 0  7  o 116.8749 59.44323 -2.883278      2.432323  -2.883278      2.432323  -2.883278      2.432323  116.8749 84.06541 116.8749 84.06541 -0.000000      0.000000 
1 1 1 -22 0  8  o 280.8087 99.39778 4.406943       2.443399  4.406943       2.443399  4.406943       2.443399  280.8087 140.5697 280.8087 140.5697 -0.000000      0.000000 
1 1 1 -22 0  9  o 248.5002 92.55476 3.554922       2.189361  3.554922       2.189361  3.554922       2.189361  248.5002 130.8922 248.5002 130.8922 0.000000       0.000000 
1 1 1 -22 1  1  f 443.3690 91.65851 8.991496       2.366955  6.220784       3.401157  11.59365       3.296075  349.8470 135.2038 536.8911 123.7944 -187.0442      183.3170 
1 1 1 -22 1  2  o 258.4622 73.15080 0.8551077      1.732027  -2.550725      2.304560  5.276080       2.625640  167.0006 81.69408 349.9238 121.3682 -182.9232      146.3016 
1 1 1 -22 1  3  o 227.2976 72.32172 0.8718907      1.758899  1.515119       2.476452  0.2170984      2.498614  240.2804 105.5741 214.3148 98.87276 25.96562       144.6434 
1 1 1 -22 1  4  o 254.4177 77.07185 2.078609       1.773753  1.916697       2.536554  2.233543       2.481289  250.7057 108.5416 258.1297 109.4486 -7.423996      154.1437 
1 1 1 -22 1  5  o 200.8730 66.28861 -0.3514041     1.667135  0.1406885      2.323933  -0.8731601     2.392951  208.5140 95.88904 193.2321 91.55333 15.28189       132.5772 
1 1 1 -22 1  6  o 246.2230 76.79315 1.571116       1.907493  0.4193158      2.704471  2.711290       2.690787  222.3416 102.6772 270.1044 114.2198 -47.76286      153.5863 
1 1 1 -22 1  7  o 189.0155 64.11987 -1.351866      1.773955  -0.9867910     2.476676  -1.736487      2.542107  193.0456 91.94693 184.9855 89.39346 8.060074       128.2397 
1 1 1 -22 1  8  o 238.9189 72.22497 1.705364       1.559276  2.305051       2.243434  1.144935       2.168759  254.6785 105.7524 223.1593 98.39824 31.51924       144.4499 
1 1 1 -22 1  9  o 234.2571 74.54185 1.460445       1.888533  2.146945       2.289771  -0.8644995E-05 3.339765  246.8267 104.9186 221.6876 105.9152 25.13908       149.0837 
1 1 1 -22 2  1  o 252.6684 80.19776 1.799891       2.178956  2.907006       2.981205  0.5301454      3.192669  273.1372 117.9626 232.1997 108.6810 40.93753       160.3955 
1 1 1 -22 2  2  o 173.5334 59.59631 -2.090698      1.650769  -2.505305      2.431361  -1.736131      2.248434  172.1676 84.15604 174.8993 84.40759 -2.731613      119.1926 
1 1 1 -22 2  3  o 213.9446 69.21498 0.3818415      1.677505  0.6922621E-01  2.581421  0.6103538      2.207031  213.4594 99.18027 214.4297 96.57188 -0.9702759     138.4300 
1 1 1 -22 2  4  o 225.9913 71.61755 0.9375020      1.694044  0.7330410      2.494121  1.112609       2.308151  223.8330 101.5564 228.1496 101.0079 -4.316574      143.2351 
1 1 1 -22 2  5  o 208.7577 68.52329 -0.9444178     1.806804  2.053710       2.676447  -3.454791      2.449079  254.5270 110.8434 162.9883 80.59476 91.53870       137.0466 
1 1 1 -22 2  6  o 330.9055 76.95806 4.144377       1.826632  7.373405       2.552274  0.7537010      2.615378  435.7831 114.2761 226.0280 103.1074 209.7551       153.9161 
1 1 1 -22 2  7  o 281.4411 79.68044 2.901942       1.750014  1.557040       2.301211  4.746449       2.694952  236.7325 102.9374 326.1497 121.6543 -89.41725      159.3609 
1 1 1 -22 2  8  o 257.0907 76.67986 1.996460       1.817680  4.226575       2.642150  -0.7409574E-02 2.504544  307.1485 119.0369 207.0329 96.69238 100.1156       153.3597 
1 1 1 -22 2  9  o 211.2933 69.05796 0.4544936      1.741630  1.173678       2.076120  -1.253801      3.199732  218.7677 96.37748 203.8189 98.93124 14.94875       138.1159 
1 1 1 -22 3  1  o 283.9882 85.46792 3.210113       2.127834  2.037550       2.760618  4.926378       3.339878  252.4525 111.1806 315.5240 129.8381 -63.07146      170.9358 
1 1 1 -22 3  2  o 282.3137 84.49365 2.725655       2.193684  0.2762924      2.937910  5.811994       3.297872  223.7371 104.5713 340.8902 132.7462 -117.1531      168.9873 
1 1 1 -22 3  3  o 374.8844 84.72634 5.799233       1.962636  8.762427       2.929853  3.387186       2.643375  462.4049 123.0067 287.3640 116.5485 175.0409       169.4527 
1 1 1 -22 3  4  f 268.3569 77.42116 2.570392       1.718461  1.412213       2.462099  3.670560       2.399646  236.9224 104.6350 299.7914 114.1387 -62.86894      154.8423 
1 1 1 -22 3  5  o 236.7959 74.18254 0.7971598      2.075240  -5.312991      3.981352  3.076516       2.431704  193.5370 96.82675 280.0547 112.4134 -86.51772      148.3651 
1 1 1 -22 3  6  o 310.5797 87.47851 2.805300       2.020466  8.939104       3.775013  0.3427889      2.391898  408.6303 145.2260 212.5290 97.56731 196.1013       174.9570 
1 1 1 -22 3  7  o 204.5891 66.06177 -0.1193563     1.693254  1.554171       1.957156  -5.100077      3.376410  231.0799 97.54813 178.0982 89.11224 52.98170       132.1235 
1 1 1 -22 3  8  o 253.0618 76.27119 0.4345858      1.624159  -1.584789      1.888919  6.161688       3.181063  160.2541 77.34608 345.8694 131.4791 -185.6153      152.5424 
1 1 1 -22 3  9  o 199.2805 66.13913 -0.9431130E-02 1.641440  0.3879922      1.968989  -0.9148908     2.972016  197.0777 89.73124 201.4832 97.18973 -4.405533      132.2783 
1 1 1 -22 4  1  o 289.6691 87.50192 3.810343       2.267204  3.676560       3.073982  3.969928       3.357347  287.6524 121.8855 291.6858 125.5797 -4.033386      175.0038 
1 1 1 -22 4  2  f 231.4609 77.53316 -0.1266035     2.536250  -3.117354      3.913240  2.039645       3.330431  206.5972 102.1061 256.3246 116.7044 -49.72736      155.0663 
1 1 1 -22 4  3  o 235.6627 77.31915 0.7508571      2.279374  -1.564595      3.887446  1.963967       2.813822  219.8238 107.2243 251.5016 111.4269 -31.67780      154.6383 
1 1 1 -22 4  4  o 236.8453 79.32929 0.5637886      2.277458  0.3340737      2.638620  1.234859       4.509895  217.9696 100.9253 255.7211 122.4199 -37.75151      158.6586 
1 1 1 -22 4  5  o 296.3870 82.20273 3.844398       2.021133  5.081595       2.451674  1.219977       3.570756  346.6157 117.3678 246.1582 115.1258 100.4576       164.4055 
1 1 1 -22 4  6  o 261.6187 77.74064 2.521904       1.755617  2.123966       2.616772  2.847647       2.367532  252.2486 109.7265 270.9889 110.1568 -18.74030      155.4813 
1 1 1 -22 4  7  f 232.3738 73.86290 1.326816       1.788285  1.689928       2.145044  0.4992986      3.238209  235.7857 100.9177 228.9620 107.8820 6.823669       147.7258 
1 1 1 -22 4  8  o 254.2069 77.53547 2.402848       1.764115  2.485536       2.088438  2.196895       3.295986  256.3886 103.7314 252.0253 115.2684 4.363297       155.0709 
1 1 1 -22 4  9  o 313.4161 79.00665 4.322917       1.582837  3.889635       2.180188  4.805839       2.301689  298.5334 109.7833 328.2989 113.6478 -29.76541      158.0133 
1 1 1 -22 5  1  o 210.0257 99.77034 -0.3756578     2.877970  -0.3756578     2.877970  0.000000       0.000000  210.0257 99.77034 ?        ?        ?              ?        
1 1 1 -22 5  2  o 243.3152 110.1809 1.615942       2.918736  1.615942       2.918736  0.000000       0.000000  243.3152 110.1809 ?        ?        ?              ?        
1 1 1 -22 5  3  o 217.8666 71.33664 -0.4154874     1.989522  -3.400535      2.836551  2.474899       2.791213  175.3882 86.72813 260.3449 113.2868 -84.95676      142.6733 
1 1 1 -22 5  4  o 385.2132 88.84161 6.738573       2.043809  5.447201       2.884450  8.040623       2.896352  339.4886 126.0108 430.9377 125.2702 -91.44916      177.6832 
1 1 1 -22 5  5  o 240.3786 66.77921 -0.1121456     1.702219  -6.610797      2.610554  4.694605       2.245157  142.8425 72.29099 337.9147 112.3025 -195.0722      133.5584 
1 1 1 -22 5  6  o 226.9403 73.37746 0.8210595      1.880380  -0.1289229     2.519650  2.015232       2.824984  204.9079 96.11123 248.9726 110.9037 -44.06467      146.7549 
1 1 1 -22 5  7  o 290.4543 88.41866 2.976327       2.156469  0.9495766      2.545877  8.123480       4.057148  222.7976 101.6704 358.1110 144.6878 -135.3133      176.8373 
1 1 1 -22 5  8  o 226.9841 72.97087 1.221189       1.879865  2.028798       2.368928  -0.1522987     3.089324  241.2087 104.6617 212.7595 101.7100 28.44923       145.9417 
1 1 1 -22 6  1  o 302.0318 95.03681 4.021169       2.455897  2.382630       2.778010  9.883129       5.254447  254.1803 111.7462 349.8832 153.7555 -95.70284      190.0736 
1 1 1 -22 6  2  o 299.2464 85.49173 4.178045       2.480876  6.852749       3.036930  -1.187356      4.301283  373.1584 130.4659 225.3344 110.5170 147.8239       170.9835 
1 1 1 -22 6  3  o 229.3267 76.47166 0.5759391      2.221548  0.2512476      2.768927  1.162552       3.721791  216.0472 101.1499 242.6063 114.7186 -26.55907      152.9433 
1 1 1 -22 6  4  o 267.5535 78.79970 2.373440       1.939009  -0.1753350     2.706279  5.062065       2.779534  208.1353 98.23706 326.9718 123.2357 -118.8365      157.5994 
1 1 1 -22 6  5  o 218.6397 74.77641 -0.9630644     2.139910  -2.393075      2.522987  2.702908       4.039614  173.8311 85.12909 263.4483 122.9597 -89.61717      149.5528 
1 1 1 -22 6  6  o 195.6366 67.18233 -1.191289      1.862097  -1.468245      2.201336  -0.4946364     3.491317  173.4015 83.64407 217.8717 105.1548 -44.47025      134.3647 
1 1 1 -22 6  7  o 245.8501 80.05727 1.250968       1.935062  -0.1750396E-02 2.219193  5.225003       3.952613  195.8663 91.32278 295.8339 131.5173 -99.96758      160.1145 
1 1 1 -22 6  8  o 261.6689 77.90173 2.518614       1.752564  0.9676039      2.228017  5.035759       2.838346  212.4719 96.23490 310.8659 122.5298 -98.39397      155.8035 
1 1 1 -22 7  1  o 265.2979 81.84840 2.870596       2.231051  4.786342       2.977936  0.4195588      3.368382  305.9863 123.8431 224.6096 107.0492 81.37666       163.6968 
1 1 1 -22 7  2  o 213.8555 71.79399 -0.4676240     2.276718  1.682368       2.709069  -5.637550      4.200915  237.1884 106.8914 190.5226 95.87351 46.66582       143.5880 
1 1 1 -22 7  3  o 239.6742 108.0905 1.760133       2.776079  1.760133       2.776079  0.000000       0.000000  239.6742 108.0905 ?        ?        ?              ?        
1 1 1 -22 7  4  o 209.1939 96.30153 0.5032445      2.352247  0.5032445      2.352247  0.000000       0.000000  209.1939 96.30153 ?        ?        ?              ?        
1 1 1 -22 7  5  o 310.7313 90.08566 4.902092       2.203583  3.749834       2.789985  6.812835       3.592760  282.8965 117.7396 338.5661 136.3785 -55.66962      180.1713 
1 1 1 -22 7  6  o 209.8772 71.54813 -0.4091356     2.050738  -1.007081      2.455193  0.9707019      3.729656  186.0156 89.38636 233.7389 111.7435 -47.72330      143.0963 
1 1 1 -22 7  7  o 255.4146 77.95015 2.701458       1.866956  3.786978       2.673525  1.668310       2.608234  279.7447 115.7437 231.0845 104.4429 48.66019       155.9003 
1 1 1 -22 8  1  o 273.5655 91.35695 4.397127       3.306976  2.296515       4.484795  6.900311       4.895715  248.9855 119.9286 298.1455 137.8459 -49.16003      182.7139 
1 1 1 -22 8  2  f 316.8271 94.61623 5.142068       2.464927  2.647785       2.978317  10.56518       4.391597  252.7564 113.1365 380.8979 151.6873 -128.1416      189.2325 
1 1 1 -22 8  3  o 225.7908 105.6413 1.036178       3.011673  1.036178       3.011673  0.000000       0.000000  225.7908 105.6413 ?        ?        ?              ?        
1 1 1 -22 8  4  o 293.4449 117.0625 4.175767       2.619684  4.175767       2.619684  0.000000       0.000000  293.4449 117.0625 ?        ?        ?              ?        
1 1 1 -22 8  5  o 282.8237 85.47804 3.421100       2.084458  1.516337       2.557380  7.191155       3.597896  227.6877 103.1169 337.9598 136.3558 -110.2721      170.9561 
1 1 1 -22 8  6  o 270.4470 80.18708 3.510154       1.921134  4.364281       2.540061  2.368466       2.936678  297.0729 116.2740 243.8211 110.4547 53.25179       160.3742 
1 1 1 -22 8  7  f 289.9706 81.36789 4.159127       2.088334  0.7712591      3.104862  6.957930       2.822054  216.8582 103.1953 363.0830 125.8319 -146.2248      162.7358 
1 1 1 -22 9  1  o 311.6383 97.85947 7.782291       3.104929  6.582017       4.354892  9.023252       4.428089  292.8399 133.3771 330.4367 143.2357 -37.59677      195.7189 
1 1 1 -22 9  2  o 279.0989 92.31917 5.633343       3.232516  6.565120       4.823235  4.873552       4.355414  286.5798 133.9578 271.6179 127.0694 14.96191       184.6383 
1 1 1 -22 9  3  o 323.5040 95.48035 6.399181       2.442851  4.885858       2.935000  9.811273       4.407095  297.1026 121.9222 349.9054 146.9727 -52.80283      190.9607 
1 1 1 -22 9  4  o 283.7984 86.96451 4.037555       2.076978  2.913861       2.417596  7.203888       4.058242  255.2904 108.1279 312.3064 136.2338 -57.01599      173.9290 
1 1 1 -22 9  5  f 257.8073 80.41688 3.113464       2.046372  1.911995       2.725174  4.666851       3.098687  231.1562 105.3702 284.4585 121.5097 -53.30223      160.8338 
1 1 1 -22 9  6  o 186.1190 64.08988 -1.253919      1.921722  0.3318316      2.837584  -2.597431      2.611874  205.2186 97.93055 167.0193 82.70224 38.19930       128.1798 
1 1 1 -22 10 1  o 232.7310 76.88712 1.909998       2.124349  4.536790       3.557811  0.4546144      2.648249  264.0747 120.3836 201.3873 95.67815 62.68742       153.7742 
1 1 1 -22 10 2  o 282.3876 90.09441 5.945100       2.755497  6.222201       4.810118  5.809749       3.361768  270.6312 128.6844 294.1441 126.1282 -23.51294      180.1888 
1 1 1 -22 10 3  o 191.5278 94.04483 -1.187997      3.143217  0.000000       0.000000  -1.187997      3.143217  ?        ?        191.5278 94.04483 ?              ?        
1 1 1 -22 10 4  o 179.2874 62.80978 -2.168803      2.121391  -2.934616      3.385233  -1.673597      2.722202  181.0578 90.38784 177.5171 87.23709 3.540726       125.6196 
1 1 1 -22 10 5  o 240.8344 79.69148 2.965368       2.388022  2.580895       3.054700  3.569609       3.829488  235.4779 108.8767 246.1909 116.3993 -10.71295      159.3830 
1 1 1 -21 0  1  o 254.9169 104.0658 3.520451       3.068886  3.520451       3.068886  3.520451       3.068886  254.9169 147.1713 254.9169 147.1713 0.000000       0.000000 
1 1 1 -21 0  2  o 84.57085 44.34870 -7.671951      2.284380  -7.671951      2.284380  -7.671951      2.284380  84.57085 62.71854 84.57085 62.71854 0.000000       0.000000 
1 1 1 -21 0  3  o 189.3603 84.16908 1.337986       2.390551  1.337986       2.390551  1.337986       2.390551  189.3603 119.0331 189.3603 119.0331 0.000000       0.000000 
1 1 1 -21 0  4  o 178.0322 78.96814 1.121801       2.091834  1.121801       2.091834  1.121801       2.091834  178.0322 111.6778 178.0322 111.6778 0.000000       0.000000 
1 1 1 -21 0  5  o 180.7045 79.66467 1.239732       2.095958  1.239732       2.095958  1.239732       2.095958  180.7045 112.6629 180.7045 112.6629 0.000000       0.000000 
1 1 1 -21 0  6  o 141.4111 69.51771 -1.152483      2.491094  -1.152483      2.491094  -1.152483      2.491094  141.4111 98.31288 141.4111 98.31288 -0.000000      0.000000 
1 1 1 -21 0  7  o 186.2311 83.93494 1.340607       2.473249  1.340607       2.473249  1.340607       2.473249  186.2311 118.7019 186.2311 118.7019 0.000000       0.000000 
1 1 1 -21 0  8  o 152.7898 71.31818 0.3448857      2.014416  0.3448857      2.014416  0.3448857      2.014416  152.7898 100.8591 152.7898 100.8591 0.000000       0.000000 
1 1 1 -21 0  9  o 140.4779 66.64808 -0.1634918E-01 1.884392  -0.1634918E-01 1.884392  -0.1634918E-01 1.884392  140.4779 94.25462 140.4779 94.25462 -0.000000      0.000000 
1 1 1 -21 0  10 o 463.3260 76.59103 7.342365       2.208509  7.342365       2.208509  7.342365       2.208509  463.3260 108.3161 463.3260 108.3161 -0.000000      0.000000 
1 1 1 -21 0  11 o 213.2029 91.59312 2.726961       2.606592  2.726961       2.606592  2.726961       2.606592  213.2029 129.5322 213.2029 129.5322 0.000000       0.000000 
1 1 1 -21 0  12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -21 1  1  f 379.6882 103.0195 6.376717       2.602484  5.390397       3.091299  8.776921       4.822322  359.1263 130.9277 400.2500 159.0912 -41.12369      206.0391 
1 1 1 -21 1  2  o 330.9742 76.70480 3.891509       1.720080  1.254113       2.560527  6.060493       2.322042  246.7017 107.8981 415.2469 109.0527 -168.5452      153.4096 
1 1 1 -21 1  3  o 334.2488 83.45814 4.215119       1.762234  4.049904       2.514028  4.374712       2.470883  327.8760 118.2946 340.6215 117.7601 -12.74551      166.9163 
1 1 1 -21 1  4  o 334.5057 80.33020 4.022477       1.781940  1.934519       2.520690  6.108298       2.519400  262.2554 110.7064 406.7560 116.4296 -144.5006      160.6604 
1 1 1 -21 1  5  o 261.2718 75.80846 1.410174       1.716068  3.980111       2.599145  -0.5758794     2.284886  322.1563 119.6088 200.3873 93.17418 121.7690       151.6169 
1 1 1 -21 1  6  o 262.8934 76.42226 1.720002       1.793822  -0.5187396     2.599696  3.754619       2.478346  211.1726 98.58757 314.6143 116.7987 -103.4416      152.8445 
1 1 1 -21 1  7  o 227.1304 69.79500 0.1211302      1.616127  -2.096576      2.181452  2.819176       2.406126  171.1849 82.74573 283.0760 112.4211 -111.8911      139.5900 
1 1 1 -21 1  8  o 197.4928 63.51968 -0.9476684E-01 1.404937  0.4912195      1.954764  -0.7209104     2.020633  209.3000 92.79424 185.6856 86.76536 23.61440       127.0394 
1 1 1 -21 1  9  o 321.0455 81.42458 3.713579       1.659485  5.568070       2.716194  2.609066       2.096206  367.8432 123.5423 274.2478 106.0998 93.59540       162.8492 
1 1 1 -21 1  10 o 348.2068 68.56456 5.050406       1.651524  6.953715       1.937892  -0.4701276E-04 3.156750  467.1481 85.07346 229.2656 107.5495 237.8825       137.1291 
1 1 1 -21 1  11 o 155.5422 54.60598 -2.537896      1.316066  -2.610431      1.519391  -2.319980      2.633544  129.0420 63.74784 182.0423 88.67617 -53.00032      109.2120 
1 1 1 -21 1  12 o 240.7039 75.40729 1.075380       1.992951  -1.808269      2.878364  3.730863       2.762144  191.9586 93.32561 289.4493 118.4710 -97.49069      150.8146 
1 1 1 -21 2  1  o 183.8861 64.20628 -3.709260      2.077245  -2.606461      2.486344  -6.258070      3.779914  178.2791 86.68951 189.4931 94.73497 -11.21397      128.4126 
1 1 1 -21 2  2  o 406.5135 97.85545 6.671813       2.254795  5.677671       2.680386  9.078212       4.170199  382.1005 122.4240 430.9266 152.6929 -48.82608      195.7109 
1 1 1 -21 2  3  o 240.6978 76.92197 0.5159560      1.904628  -0.3136900     2.365318  2.045923       3.212063  208.4205 96.16949 272.9752 120.0808 -64.55470      153.8439 
1 1 1 -21 2  4  o 207.4787 66.33209 0.2559849E-01  1.497921  0.6658521      2.150492  -0.5777918     2.087666  221.9775 97.92461 192.9799 89.50170 28.99759       132.6642 
1 1 1 -21 2  5  o 205.4719 67.54987 -0.4878963     1.692954  -0.8234634     2.571130  -0.2310564     2.249394  205.7468 96.69112 205.1970 94.35445 0.5498047      135.0997 
1 1 1 -21 2  6  o 256.2380 81.31586 1.427493       2.094294  1.398325       3.749056  1.440724       2.524997  265.0574 121.8547 247.4187 107.7057 17.63866       162.6317 
1 1 1 -21 2  7  o 240.2811 73.21495 0.7616655      1.775800  -1.701273      2.558129  3.052379       2.467068  191.0568 91.65757 289.5055 114.1955 -98.44868      146.4299 
1 1 1 -21 2  8  o 249.7318 75.46448 1.714728       1.683335  2.171818       2.001272  0.6090977      3.112507  259.3689 102.6789 240.0947 110.6192 19.27422       150.9290 
1 1 1 -21 2  9  o 226.4112 68.50495 1.068272       1.418543  0.3566277      1.998385  1.791045       2.013950  206.6256 92.56760 246.1968 101.0097 -39.57121      137.0099 
1 1 1 -21 2  10 f 243.1267 70.35191 1.758365       1.381937  2.109882       1.968765  1.416956       1.940253  254.3797 101.4811 231.8738 97.46357 22.50584       140.7038 
1 1 1 -21 2  11 o 216.7661 67.61127 0.6859597      1.556488  1.834824       1.890284  -1.733214      2.743003  241.4406 98.31964 192.0917 92.83526 49.34889       135.2225 
1 1 1 -21 2  12 o 216.7507 68.24418 1.017217       1.443756  0.1424306      2.886220  1.309160       1.667354  216.5456 101.9767 216.9558 90.71836 -0.4102020     136.4884 
1 1 1 -21 3  1  o 484.8489 89.04603 10.59291       2.616199  13.83392       3.319273  5.277136       4.250947  635.9068 106.8941 333.7909 142.4445 302.1159       178.0921 
1 1 1 -21 3  2  o 263.4745 82.28155 1.798554       2.043859  2.288733       2.283307  -0.1777015     4.584673  268.2311 108.4839 258.7179 123.7427 9.513245       164.5631 
1 1 1 -21 3  3  o 416.7470 96.36111 7.476401       2.346066  7.271757       3.445975  7.653205       3.203008  404.7072 139.1165 428.7869 133.3734 -24.07977      192.7222 
1 1 1 -21 3  4  o 221.9167 73.05262 -0.8596418     2.130970  1.396637       2.786750  -4.036705      3.306850  251.8974 111.2807 191.9361 94.67495 59.96130       146.1052 
1 1 1 -21 3  5  o 295.2958 85.77584 2.800583       1.985728  1.550560       2.458887  5.144363       3.366959  249.0433 107.3450 341.5483 133.8172 -92.50502      171.5517 
1 1 1 -21 3  6  o 271.9639 81.89633 2.265635       1.905121  1.820127       2.365643  3.087773       3.213615  253.5832 107.1575 290.3446 123.8761 -36.76141      163.7927 
1 1 1 -21 3  7  o 301.0645 70.92346 2.050745       1.588648  -1.151014      2.073888  6.597540       2.471404  180.2091 85.33892 421.9198 113.3041 -241.7107      141.8469 
1 1 1 -21 3  8  o 251.3202 72.67371 1.726995       1.449253  0.9373486      1.854609  2.965398       2.322561  217.4228 93.46832 285.2176 111.3083 -67.79483      145.3474 
1 1 1 -21 3  9  o 196.9354 62.65336 0.7532971E-01  1.339552  0.8139109      1.816838  -0.8043971     1.982855  212.2917 91.88592 181.5792 85.19831 30.71252       125.3067 
1 1 1 -21 3  10 o 199.9436 63.45284 0.3022749      1.335775  0.4726009      1.866873  0.1235996      1.912081  203.3520 90.39508 196.5352 89.07178 6.816727       126.9057 
1 1 1 -21 3  11 o 281.5181 79.70219 2.897229       1.634855  2.215237       1.991785  4.305383       2.862055  253.5699 101.7538 309.4663 122.7025 -55.89639      159.4044 
1 1 1 -21 4  1  o 323.7028 93.32449 4.321958       2.280309  5.594324       4.170562  3.779381       2.723448  337.3476 142.4024 310.0579 120.6623 27.28964       186.6490 
1 1 1 -21 4  2  o 401.2641 98.47271 7.313062       2.403868  7.133223       2.808042  7.806396       4.650847  427.0116 123.1204 375.5165 153.7169 51.49506       196.9454 
1 1 1 -21 4  3  o 299.5626 119.9506 3.394517       2.761343  3.394517       2.761343  0.000000       0.000000  299.5626 119.9506 ?        ?        ?              ?        
1 1 1 -21 4  4  o 237.4641 75.67007 0.8031854      1.931772  1.314136       2.598492  0.1719032      2.888310  245.3018 107.9537 229.6264 106.0652 15.67548       151.3401 
1 1 1 -21 4  5  o 256.6269 74.55894 0.4425157      2.063411  4.624002       2.618581  -6.406771      3.351377  339.3462 120.9159 173.9077 87.26675 165.4385       149.1179 
1 1 1 -21 4  6  o 281.2930 77.16263 2.346072       1.596048  4.667374       2.589120  0.9233173      2.026989  340.4202 120.3472 222.1657 96.60658 118.2544       154.3253 
1 1 1 -21 4  7  o 237.9253 71.33508 1.189618       1.580756  2.654642       2.197911  -0.3801731     2.275142  275.1999 108.0299 200.6507 93.18964 74.54918       142.6702 
1 1 1 -21 4  8  o 312.9107 78.88212 3.756799       1.657228  4.865943       2.264384  2.477457       2.431921  356.7180 112.3357 269.1035 110.7711 87.61450       157.7642 
1 1 1 -21 4  9  o 236.6290 65.25031 0.7793073      1.398863  -2.210636      2.004475  3.617969       1.953107  160.0146 77.81491 313.2435 104.7628 -153.2289      130.5006 
1 1 1 -21 4  10 o 258.7704 77.76740 2.166713       1.668865  2.095822       1.950611  2.360325       3.223591  251.6555 100.7987 265.8853 118.4513 -14.22983      155.5348 
1 1 1 -21 4  11 o 273.6016 73.27585 2.823114       1.626233  4.264030       2.014564  0.1278258      2.755272  331.2007 106.1370 216.0026 101.0562 115.1981       146.5517 
1 1 1 -21 5  1  o 641.1087 95.78801 15.96242       2.847205  19.17750       5.045180  14.45997       3.448894  644.1669 156.2934 638.0505 110.7869 6.116455       191.5760 
1 1 1 -21 5  2  o 294.0198 89.47159 3.101502       2.397997  5.003675       3.695505  1.718032       3.151620  328.1157 135.9444 259.9240 116.3606 68.19168       178.9432 
1 1 1 -21 5  3  o 236.1834 74.81963 0.8286033      1.875139  1.813109       2.632093  -0.1860225     2.672053  255.6066 110.6152 216.7602 100.7779 38.84642       149.6393 
1 1 1 -21 5  4  o 307.1605 88.66378 3.725304       2.112746  3.154196       2.641644  4.739089       3.519558  290.2751 116.9362 324.0458 133.3079 -33.77069      177.3276 
1 1 1 -21 5  5  o 224.3940 74.04992 -0.2970063E-01 1.978176  -0.2250898     2.448316  0.3377036      3.357293  209.0403 96.94125 239.7476 111.9641 -30.70732      148.0998 
1 1 1 -21 5  6  o 264.5787 76.29324 2.113427       1.677312  3.634383       2.433888  0.7377298      2.314748  305.3834 115.2659 223.7741 99.98202 81.60922       152.5865 
1 1 1 -21 5  7  o 357.4803 80.54304 4.841775       1.799143  2.554396       2.449412  7.521777       2.651309  270.7841 111.2813 444.1767 116.4697 -173.3926      161.0861 
1 1 1 -21 5  8  o 204.9070 64.95403 0.2951774      1.428924  1.035187       1.839998  -0.8292482     2.268111  218.4197 93.47543 191.3944 90.21334 27.02522       129.9081 
1 1 1 -21 5  9  o 345.4470 72.55508 4.400530       1.492022  2.488081       2.111744  6.306814       2.108337  265.9779 105.4179 424.9161 99.71974 -158.9382      145.1102 
1 1 1 -21 5  10 o 271.3481 75.50196 2.724337       1.487205  2.794168       1.778684  2.562087       2.711221  277.2454 99.56283 265.4507 113.5316 11.79465       151.0039 
1 1 1 -21 5  11 o 242.8302 67.38599 1.895300       1.303635  3.054438       1.781546  0.5592586      1.912667  283.8306 99.88435 201.8298 90.47985 82.00081       134.7720 
1 1 1 -21 6  1  o 235.2019 78.28643 0.5296683E-01  2.383295  1.152502       3.557285  -0.8425450     3.210332  252.0042 116.8605 218.3996 104.2049 33.60455       156.5729 
1 1 1 -21 6  2  o 314.3511 87.00941 3.850264       2.399381  -0.3891298     3.672897  7.006330       3.169056  234.2954 111.6980 394.4069 133.4395 -160.1115      174.0188 
1 1 1 -21 6  3  o 332.4393 94.49809 4.617013       2.322379  7.679990       4.025706  3.089204       2.843183  379.5529 146.9800 285.3258 118.8126 94.22708       188.9962 
1 1 1 -21 6  4  o 472.6462 91.27936 9.850185       2.331556  10.68282       2.872110  8.241035       3.992754  550.1783 106.9654 395.1140 147.9395 155.0642       182.5587 
1 1 1 -21 6  5  f 249.3421 81.27309 0.8589330      2.457664  -1.183784      3.625004  2.596581       3.343375  223.9836 107.8703 274.7007 121.5947 -50.71716      162.5462 
1 1 1 -21 6  6  o 218.3549 72.20416 -0.7854093     1.854367  -2.348565      2.280148  2.267979       3.186787  169.9320 82.71899 266.7777 118.3695 -96.84567      144.4083 
1 1 1 -21 6  7  o 251.2239 77.62992 0.9256084      2.229290  -4.544440      3.728699  3.968627       2.781084  195.1010 96.98517 307.3467 121.2415 -112.2457      155.2598 
1 1 1 -21 6  8  o 282.0443 78.38953 2.782702       1.712183  1.280479       2.333647  4.534205       2.519843  233.9192 102.6390 330.1694 118.5112 -96.25018      156.7791 
1 1 1 -21 6  9  o 231.1707 72.60379 0.7093039      1.712216  -0.7857683     2.230650  2.853544       2.671389  188.7033 89.10258 273.6382 114.6559 -84.93498      145.2076 
1 1 1 -21 6  10 o 374.9110 84.27525 5.653763       1.744862  4.558429       2.172409  7.644905       2.928999  336.1355 110.4087 413.6865 127.3546 -77.55096      168.5505 
1 1 1 -21 6  11 o 239.3519 72.72975 1.879824       1.555500  2.435148       2.477478  1.518464       1.998511  252.7669 108.3281 225.9368 97.07469 26.83009       145.4595 
1 1 1 -21 7  1  o 222.4855 71.79131 0.9003321E-01  1.934478  2.095399       2.539479  -2.682483      2.985966  255.3939 109.5705 189.5770 92.79151 65.81693       143.5826 
1 1 1 -21 7  2  o 256.0247 115.3417 1.823731       3.151264  0.000000       0.000000  1.823731       3.151264  ?        ?        256.0247 115.3417 ?              ?        
1 1 1 -21 7  3  o 314.5524 91.97622 4.677515       2.456550  3.593680       4.153046  5.260808       3.046692  290.2248 131.4256 338.8799 128.7082 -48.65515      183.9524 
1 1 1 -21 7  4  o 225.9581 75.40414 0.4910746E-01  2.088032  -0.1987180     3.961341  0.1444530      2.457081  238.8553 114.4480 213.0609 98.20789 25.79440       150.8083 
1 1 1 -21 7  5  o 257.4651 75.34239 2.151726       1.655860  3.024363       2.239851  1.100035       2.458931  282.9437 109.6160 231.9866 103.3936 50.95709       150.6848 
1 1 1 -21 7  6  o 194.7002 66.99116 -2.261204      1.959831  -3.478166      2.464449  -0.1675347     3.232477  163.7900 80.96441 225.6104 106.7522 -61.82040      133.9823 
1 1 1 -21 7  7  o 186.1478 62.76191 -1.327737      1.671339  -0.2948067     2.232378  -2.645172      2.521138  197.7690 92.00357 174.5266 85.39069 23.24237       125.5238 
1 1 1 -21 7  8  f 218.7340 70.27598 0.6249189      1.687426  1.199749       2.029300  -0.6632162     3.037788  224.2395 97.08361 213.2285 101.6348 11.01102       140.5520 
1 1 1 -21 7  9  o 264.7645 72.79336 2.229195       1.830361  4.616260       2.190941  -3.286106      3.330298  338.5158 110.8635 191.0131 94.36510 147.5027       145.5867 
1 1 1 -21 7  10 o 171.7030 57.20695 -0.6360223     1.262717  -0.4801950     1.607136  -0.8873898     2.041200  166.7398 77.73350 176.6661 83.95263 -9.926270      114.4139 
1 1 1 -21 8  1  o 363.3615 71.63722 4.451969       2.050091  10.50182       2.830833  -2.220424      2.972916  534.4781 108.3261 192.2449 93.77106 342.2332       143.2744 
1 1 1 -21 8  2  o 294.5261 86.26735 3.761715       2.093598  3.334075       2.815660  4.290495       3.130966  284.1174 118.2666 304.9348 125.6234 -20.81741      172.5347 
1 1 1 -21 8  3  o 423.3184 104.8606 8.872741       2.665720  13.14875       4.599945  6.710591       3.270965  477.3831 160.7702 369.2536 134.6698 108.1295       209.7213 
1 1 1 -21 8  4  o 226.7321 74.69494 -0.2201454     1.976557  2.835808       3.344497  -1.860360      2.450236  272.8413 121.1517 180.6229 87.40475 92.21840       149.3899 
1 1 1 -21 8  5  o 226.6454 76.97850 -1.175554      2.586677  2.002554       3.776991  -3.982821      3.549798  260.8641 120.7733 192.4266 95.48069 68.43752       153.9570 
1 1 1 -21 8  6  o 229.9152 73.72501 0.8823276      1.916543  1.874641       2.298692  -1.380392      3.471137  245.6795 104.7929 214.1508 103.7302 31.52866       147.4500 
1 1 1 -21 8  7  f 240.7415 106.2154 1.601314       2.530822  1.601314       2.530822  0.000000       0.000000  240.7415 106.2154 ?        ?        ?              ?        
1 1 1 -21 8  8  o 180.8600 62.08686 -1.659413      1.514187  -2.312980      1.787675  -0.1078965E-04 2.848521  146.0728 71.56132 215.6472 101.4795 -69.57439      124.1737 
1 1 1 -21 8  9  o 213.2733 68.00609 0.7815186      1.564439  1.391403       1.874770  -0.6170434     2.838998  222.2861 94.72189 204.2606 97.60675 18.02550       136.0122 
1 1 1 -21 8  10 o 194.8497 63.70642 -0.1901362     1.483772  1.531557       2.261849  -1.490736      1.965882  227.1399 100.3034 162.5594 78.57005 64.58049       127.4128 
1 1 1 -21 9  1  o 243.4817 77.06703 1.675105       1.953312  0.9481753      2.660063  2.525755       2.877538  226.7266 103.6427 260.2368 114.0855 -33.51016      154.1341 
1 1 1 -21 9  2  o 336.0827 88.14583 5.330244       2.032884  6.094125       2.806580  4.487134       2.948535  363.7509 125.5192 308.4145 123.7889 55.33636       176.2917 
1 1 1 -21 9  3  o 296.6057 85.72011 4.004144       2.059770  4.340211       2.726099  3.557035       3.144383  309.7256 120.6689 283.4858 121.7816 26.23972       171.4402 
1 1 1 -21 9  4  o 255.0002 82.82669 0.7793455      2.238815  5.767746       4.044610  -1.424257      2.688206  317.8103 137.3277 192.1901 92.63985 125.6202       165.6534 
1 1 1 -21 9  5  o 280.2763 84.94475 0.3057952      2.055642  9.173763       4.065482  -2.740181      2.382667  394.0883 148.9182 166.4643 81.76685 227.6240       169.8895 
1 1 1 -21 9  6  o 246.3792 78.80412 1.644622       1.947188  1.217507       2.312986  2.683806       3.607833  227.0093 100.7783 265.7491 121.1779 -38.73979      157.6082 
1 1 1 -21 9  7  o 266.3527 106.1282 2.737057       2.150799  2.737057       2.150799  0.000000       0.000000  266.3527 106.1282 ?        ?        ?              ?        
1 1 1 -21 9  8  o 193.5112 65.18908 -1.376492      1.621721  -2.992505      1.995947  1.762815       2.781914  146.3796 72.44896 240.6429 108.3956 -94.26335      130.3782 
1 1 1 -21 9  9  o 325.9486 79.07921 4.672064       1.581146  4.784646       2.082832  4.518946       2.429036  339.4633 107.8293 312.4339 115.7019 27.02945       158.1584 
1 1 1 -21 10 1  o 243.7523 76.46822 1.619853       1.943903  -0.1659314     2.681297  3.598409       2.822310  206.1956 97.46174 281.3091 117.8591 -75.11345      152.9364 
1 1 1 -21 10 2  o 218.9847 72.28157 0.4882036      1.961897  0.5380958      2.586408  0.4205961      3.010777  216.0680 100.0014 221.9015 104.3946 -5.833466      144.5631 
1 1 1 -21 10 3  o 183.6172 64.38187 -3.740944      2.310892  -6.638778      3.699818  -1.887293      2.959085  174.9766 88.29027 192.2579 93.72794 -17.28137      128.7637 
1 1 1 -21 10 4  o 260.2944 76.32838 2.431897       1.732773  0.9039262      2.450880  3.958946       2.450141  220.6365 100.3238 299.9522 115.0618 -79.31573      152.6568 
1 1 1 -21 10 5  o 237.2398 80.20630 0.7219827      2.730048  -0.3855179E-06 4.073393  1.310760       3.678480  232.0356 112.3872 242.4441 114.4610 -10.40854      160.4126 
1 1 1 -21 10 6  o 245.6347 82.54741 1.102016       2.828103  3.705263       4.054069  -1.365737      3.947156  274.6558 126.4328 216.6136 106.1652 58.04221       165.0948 
1 1 1 -21 10 7  o 190.6584 89.31995 -0.2110941     2.165003  -0.2110941     2.165003  0.000000       0.000000  190.6584 89.31995 ?        ?        ?              ?        
1 1 1 -21 10 8  o 226.7548 77.44565 -0.9698483     1.666796  -2.318470      1.804609  6.861938       4.348791  144.0304 70.83025 309.4793 137.7476 -165.4489      154.8913 
1 1 1 -21 10 9  o 193.3496 63.61005 0.2799682      1.436349  0.1972556      1.753375  0.4487178      2.504438  182.1336 83.58465 204.5657 95.90913 -22.43204      127.2201 
1 1 1 -21 11 1  o 247.3633 79.38083 2.311116       2.173165  2.844355       2.521696  0.7721007      4.284038  259.2692 110.1533 235.4574 114.3307 23.81177       158.7617 
1 1 1 -21 11 2  o 297.5483 88.12010 4.888411       2.336488  5.276578       2.726363  3.814852       4.534053  326.2693 122.2307 268.8275 126.9656 57.44180       176.2402 
1 1 1 -21 11 3  o 207.0885 69.61440 -0.1919222     2.018195  0.8155060      2.462671  -2.252220      3.521797  215.5348 98.96676 198.6422 97.92977 16.89259       139.2288 
1 1 1 -21 11 4  o 227.4454 73.81611 0.9482903      1.836318  -0.1390581     2.282199  2.944953       3.092584  194.4722 91.29756 260.4186 116.0173 -65.94640      147.6322 
1 1 1 -21 11 5  o 211.6001 70.51901 0.4247447      1.795798  0.5610334      2.063821  -0.1280579E-03 3.643941  201.7384 91.85847 221.4617 107.0222 -19.72336      141.0380 
1 1 1 -21 11 6  o 293.7007 92.26422 4.845253       2.768367  8.589838       4.265217  2.119440       3.639044  342.6382 144.2886 244.7632 115.0285 97.87506       184.5284 
1 1 1 -21 11 7  o 235.4674 70.66760 1.617298       1.667331  3.784214       2.239524  -1.077440      2.497427  287.4137 110.0640 183.5211 88.66547 103.8925       141.3352 
1 1 1 -21 11 8  o 197.9270 67.32117 -0.7472862E-01 1.831245  0.3848948      2.060845  -1.799537      3.992222  192.9505 89.28893 202.9035 100.7772 -9.952988      134.6423 
1 1 1 -21 12 1  o 306.3668 92.77111 4.878137       3.161074  12.57292       4.417336  -3.198069      4.525494  409.7990 155.1384 202.9346 101.7742 206.8644       185.5422 
1 1 1 -21 12 2  o 229.9710 75.56994 1.248667       2.357318  3.278720       2.807112  -3.607665      4.341703  261.3128 113.6582 198.6292 99.62463 62.68365       151.1399 
1 1 1 -21 12 3  o 207.9736 69.18112 0.2660878      1.954534  1.591358       2.446696  -2.071183      3.249243  225.5727 101.6269 190.3746 93.89405 35.19814       138.3622 
1 1 1 -21 12 4  o 257.6894 80.68116 2.668365       1.934462  1.444894       2.334240  5.351233       3.456594  221.0761 99.46386 294.3028 127.0620 -73.22667      161.3623 
1 1 1 -21 12 5  o 180.1935 62.32034 -1.686054      1.904250  -0.5827852     2.332510  -3.890947      3.297438  184.4411 88.22892 175.9458 88.03952 8.495300       124.6407 
1 1 1 -21 12 6  o 257.3249 81.94835 3.200819       2.164932  5.118781       3.571476  2.086691       2.722045  281.4886 125.0837 233.1612 105.9066 48.32745       163.8967 
1 1 1 -21 12 7  o 154.0625 53.75810 -2.293192      1.507797  -2.256656      2.213847  -2.324803      2.059233  157.1613 77.51126 150.9637 74.50999 6.197540       107.5162 
1 1 1 -21 13 1  o 159.9615 57.60446 -5.432172      2.183829  -5.125231      2.556699  -6.260319      4.199581  143.7013 72.61304 176.2217 89.44520 -32.52036      115.2089 
1 1 1 -21 13 2  o 225.1604 78.29398 1.189155       3.124953  -0.3332073E-06 4.465970  2.329920       4.374161  216.1657 107.2320 234.1552 114.1100 -17.98955      156.5880 
1 1 1 -21 13 3  o 218.4531 74.54182 0.5966824      2.354916  3.652498       3.790648  -1.323944      3.005186  249.7974 117.3962 187.1087 91.89153 62.68864       149.0836 
1 1 1 -21 13 4  o 205.2381 70.71856 0.2023599      2.077729  0.4374036      4.535846  0.1399451      2.337372  219.2194 108.6278 191.2567 90.57853 27.96266       141.4371 
1 1 1 -21 13 5  o 214.7551 70.39461 0.4780496      2.005516  -3.340609      2.916428  3.903755       2.762300  166.2887 83.14606 263.2215 113.6149 -96.93280      140.7892 
1 1 1 -21 13 6  f 259.9309 109.4047 3.636025       2.450175  0.000000       0.000000  3.636025       2.450175  ?        ?        259.9309 109.4047 ?              ?        
1 1 1 -21 14 1  o 202.2343 69.27573 0.7523177      2.136999  1.838561       3.357633  0.1269264E-01  2.770610  214.9745 103.6008 189.4941 91.99664 25.48041       138.5515 
1 1 1 -21 14 2  o 201.0589 68.32049 0.7431517      2.056433  1.594886       2.747709  -0.3414415     3.100644  211.0922 99.43614 191.0256 93.71877 20.06665       136.6410 
1 1 1 -21 14 3  o 252.4502 80.01452 4.085321       2.101853  4.517990       3.212146  3.761353       2.779509  255.4424 115.6372 249.4580 110.6225 5.984406       160.0290 
1 1 1 -20 0  1  o 621.5933 81.14209 11.86191       3.248856  11.86191       3.248856  11.86191       3.248856  621.5933 114.7522 621.5933 114.7522 0.000000       0.000000 
1 1 1 -20 0  2  o 229.1996 100.2742 2.064395       3.257184  2.064395       3.257184  2.064395       3.257184  229.1996 141.8092 229.1996 141.8092 -0.000000      0.000000 
1 1 1 -20 0  3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -20 0  4  f 120.6840 61.80534 -4.821237      2.855883  -4.821237      2.855883  -4.821237      2.855883  120.6840 87.40594 120.6840 87.40594 0.000000       0.000000 
1 1 1 -20 0  5  o 208.7553 95.29517 1.211639       3.318492  1.211639       3.318492  1.211639       3.318492  208.7553 134.7677 208.7553 134.7677 -0.000000      0.000000 
1 1 1 -20 0  6  o 289.7185 100.2768 3.892354       2.464145  3.892354       2.464145  3.892354       2.464145  289.7185 141.8127 289.7185 141.8127 0.000000       0.000000 
1 1 1 -20 0  7  o 273.8630 94.98347 3.469385       2.212737  3.469385       2.212737  3.469385       2.212737  273.8630 134.3269 273.8630 134.3269 0.000000       0.000000 
1 1 1 -20 0  8  o 311.6173 92.26329 4.122842       2.064606  4.122842       2.064606  4.122842       2.064606  311.6173 130.4800 311.6173 130.4800 0.000000       0.000000 
1 1 1 -20 0  9  o 174.4259 75.96909 1.161179       1.849493  1.161179       1.849493  1.161179       1.849493  174.4259 107.4365 174.4259 107.4365 -0.000000      0.000000 
1 1 1 -20 0  10 o 101.2056 51.99908 -3.720624      2.112564  -3.720624      2.112564  -3.720624      2.112564  101.2056 73.53780 101.2056 73.53780 0.000000       0.000000 
1 1 1 -20 0  11 o 285.1673 106.3751 4.666553       2.895333  4.666553       2.895333  4.666553       2.895333  285.1673 150.4372 285.1673 150.4372 0.000000       0.000000 
1 1 1 -20 0  12 o 163.9181 77.89278 0.3803671      2.593506  0.3803671      2.593506  0.3803671      2.593506  163.9181 110.1570 163.9181 110.1570 -0.000000      0.000000 
1 1 1 -20 0  13 o 537.4711 98.10064 11.27025       3.262685  11.27025       3.262685  11.27025       3.262685  537.4711 138.7353 537.4711 138.7353 -0.000000      0.000000 
1 1 1 -20 0  14 o 212.4998 94.09657 3.193375       2.956495  3.193375       2.956495  3.193375       2.956495  212.4998 133.0726 212.4998 133.0726 0.000000       0.000000 
1 1 1 -20 1  1  o 530.4809 119.7469 9.362153       3.139773  0.000000       0.000000  9.362153       3.139773  ?        ?        530.4809 119.7469 ?              ?        
1 1 1 -20 1  2  o 479.4695 104.0569 7.223962       2.453358  0.000000       0.000000  7.223962       2.453358  ?        ?        479.4695 104.0569 ?              ?        
1 1 1 -20 1  3  o 263.0428 79.17706 0.8668529      1.792590  2.851638       3.029009  -0.2029863     2.223838  310.8852 125.2245 215.2003 96.92705 95.68481       158.3541 
1 1 1 -20 1  4  o 170.7304 59.89937 -5.258259      1.975799  -4.652338      2.777995  -5.878528      2.810695  175.4535 86.58705 166.0073 82.79143 9.446243       119.7987 
1 1 1 -20 1  5  f 295.0123 77.58185 0.8194087      1.793484  -2.126919      2.247526  5.984645       2.975839  180.9334 86.56564 409.0912 128.7717 -228.1577      155.1637 
1 1 1 -20 1  6  o 248.2301 75.15351 1.047453       1.687266  1.377311       2.389150  0.7192442      2.383171  256.7050 108.0396 239.7551 104.4971 16.94991       150.3070 
1 1 1 -20 1  7  o 228.7968 70.98779 -0.1397518     1.670630  2.108832       2.461527  -2.060068      2.274765  276.2276 112.3083 181.3659 86.85569 94.86174       141.9756 
1 1 1 -20 1  8  o 295.6327 74.68831 2.125619       1.469838  5.168478       2.502897  0.5238271      1.815955  379.5266 117.8745 211.7389 91.75495 167.7877       149.3766 
1 1 1 -20 1  9  o 189.2015 63.71920 -1.796159      1.394406  -2.667588      1.621009  0.6835372      2.734441  137.1443 67.38081 241.2588 108.1683 -104.1145      127.4384 
1 1 1 -20 1  10 o 241.6601 71.47810 1.442779       1.447537  0.9701989      2.455243  1.694562       1.792132  238.3425 104.9124 244.9777 97.10742 -6.635147      142.9562 
1 1 1 -20 1  11 o 343.2646 65.70390 3.777659       1.301129  1.732058       1.764613  6.214862       1.926126  244.5316 96.53981 441.9975 89.15196 -197.4659      131.4078 
1 1 1 -20 1  12 o 340.7162 77.59186 4.198596       1.474338  4.053241       1.794403  4.500594       2.586470  344.0658 98.18165 337.3666 120.1763 6.699188       155.1837 
1 1 1 -20 1  13 o 160.9974 76.57156 -1.232970      1.704985  -1.232970      1.704985  0.000000       0.000000  160.9974 76.57156 ?        ?        ?              ?        
1 1 1 -20 1  14 o 278.0097 79.49558 2.888054       1.644855  3.996756       2.893013  2.358453       1.999481  298.6537 121.6273 257.3658 102.3963 41.28790       158.9912 
1 1 1 -20 2  1  o 761.3710 88.40470 17.12390       3.344224  0.000000       0.000000  17.12390       3.344224  ?        ?        761.3710 88.40470 ?              ?        
1 1 1 -20 2  2  o 227.8932 102.4429 -0.3405115E-01 2.469934  0.000000       0.000000  -0.3405115E-01 2.469934  ?        ?        227.8932 102.4429 ?              ?        
1 1 1 -20 2  3  f 234.0704 75.83430 -0.2830340     1.850859  -0.9569766E-05 3.445311  -0.3978486     2.194396  258.6542 118.1266 209.4867 95.12865 49.16757       151.6686 
1 1 1 -20 2  4  o 284.3730 81.24917 2.168017       1.821646  1.353858       2.967965  2.660091       2.307384  271.8654 117.5563 296.8806 112.1884 -25.01514      162.4983 
1 1 1 -20 2  5  o 296.3833 89.62840 1.925507       2.367586  3.673098       3.706113  0.7205526      3.077402  332.6111 136.8091 260.1554 115.8286 72.45569       179.2568 
1 1 1 -20 2  6  o 253.2620 104.8788 1.440548       2.197937  1.440548       2.197937  0.000000       0.000000  253.2620 104.8788 ?        ?        ?              ?        
1 1 1 -20 2  7  o 300.9636 82.13877 2.890157       1.708098  2.919281       2.046252  2.823227       3.102039  300.2207 106.8975 301.7065 124.7399 -1.485779      164.2775 
1 1 1 -20 2  8  o 292.7387 69.16699 2.617856       1.358428  4.310634       1.880069  0.7687659      1.964955  362.1270 99.48872 223.3504 96.11600 138.7766       138.3340 
1 1 1 -20 2  9  o 306.5345 72.80499 3.137112       1.381523  4.138847       1.961609  2.151233       1.946021  348.1024 103.6128 264.9666 102.3066 83.13577       145.6100 
1 1 1 -20 2  10 o 200.3179 62.69382 0.2787488      1.256635  0.3156156      1.764901  0.2408404      1.789659  200.8139 88.64392 199.8219 88.68099 0.9919586      125.3876 
1 1 1 -20 2  11 o 338.5381 71.41474 3.984702       1.337023  3.338892       1.929955  4.580681       1.854002  308.4908 104.1353 368.5854 97.75535 -60.09454      142.8295 
1 1 1 -20 2  12 o 160.4398 53.40428 -0.9742498     1.114390  -0.8155600     1.498613  -1.170541      1.666730  159.4792 74.58550 161.4004 76.45306 -1.921280      106.8086 
1 1 1 -20 2  13 o 211.0979 65.86956 0.5389631      1.428833  1.394957       1.853249  -0.7156019     2.243597  229.6930 95.80856 192.5029 90.42078 37.19009       131.7391 
1 1 1 -20 3  1  o 248.4610 76.59361 0.7356279      1.814189  0.1018669      2.469901  1.478165       2.673474  229.7284 102.9145 267.1936 113.4677 -37.46519      153.1872 
1 1 1 -20 3  2  o 287.1949 116.2460 2.245403       2.623991  0.000000       0.000000  2.245403       2.623991  ?        ?        287.1949 116.2460 ?              ?        
1 1 1 -20 3  3  o 275.2139 86.66721 1.021286       2.436794  0.7083443      3.634330  1.276877       3.284463  273.8133 123.5637 276.6144 121.5600 -2.801178      173.3344 
1 1 1 -20 3  4  o 320.1878 93.37107 3.122679       2.450994  4.021120       3.613823  2.357363       3.335358  340.8313 136.9582 299.5444 126.9452 41.28693       186.7421 
1 1 1 -20 3  5  o 318.2460 80.47668 3.267977       1.664812  4.100584       2.393160  2.487208       2.317463  347.6063 115.9651 288.8858 111.6157 58.72046       160.9534 
1 1 1 -20 3  6  o 379.0302 92.28526 3.470115       2.081257  1.105065       2.403877  10.54998       4.159151  248.4143 106.5913 509.6461 150.6803 -261.2319      184.5705 
1 1 1 -20 3  7  o 352.6507 90.70079 3.893309       1.811386  3.067166       2.050228  6.832300       3.866996  304.9298 107.1636 400.3715 146.3643 -95.44168      181.4016 
1 1 1 -20 3  8  o 254.6216 70.90877 1.763754       1.374742  2.522480       1.938386  0.9958919      1.950023  280.6177 103.4679 228.6254 96.98761 51.99232       141.8175 
1 1 1 -20 3  9  o 198.2743 61.56556 -0.6659670E-01 1.264721  1.314551       1.774188  -1.493505      1.803340  232.0298 94.95656 164.5188 78.38703 67.51099       123.1311 
1 1 1 -20 3  10 o 202.1229 61.11626 0.2992626E-01  1.242839  -1.904363      1.792608  1.820317       1.724640  156.5435 75.50449 247.7023 96.12420 -91.15874      122.2325 
1 1 1 -20 3  11 o 352.5034 69.19279 4.165347       1.312563  5.529906       1.942997  3.019919       1.780162  408.4496 95.64513 296.5573 100.0129 111.8923       138.3856 
1 1 1 -20 3  12 o 274.8783 57.92902 1.879088       1.240150  -1.836543      1.854336  4.885805       1.668086  159.4548 76.88042 390.3018 86.67461 -230.8470      115.8580 
1 1 1 -20 3  13 o 216.3133 68.82754 -0.2371087     1.504645  -1.640112      1.829238  2.698088       2.645815  159.6732 76.83236 272.9534 114.2178 -113.2802      137.6551 
1 1 1 -20 4  1  o 252.2653 82.07931 -0.8055014     2.251643  -2.376420      2.747205  2.409534       3.930131  198.2632 95.08024 306.2673 133.8200 -108.0041      164.1586 
1 1 1 -20 4  2  o 248.8880 76.31013 0.8863648      1.796865  0.1542361      2.677238  1.486496       2.423908  236.9720 106.5772 260.8040 109.2439 -23.83205      152.6203 
1 1 1 -20 4  3  o 444.3690 96.93995 7.680628       2.700758  3.966013       3.986982  10.83047       3.671403  338.6866 140.8361 550.0514 133.2464 -211.3648      193.8799 
1 1 1 -20 4  4  o 349.0356 90.89271 3.820570       1.965204  6.225688       3.634927  2.827205       2.336049  397.8213 142.3861 300.2499 113.0139 97.57141       181.7854 
1 1 1 -20 4  5  o 339.8187 79.76107 0.7438786      1.830940  9.680462       3.600198  -2.373846      2.126471  509.3570 136.7396 170.2804 82.15592 339.0765       159.5221 
1 1 1 -20 4  6  o 195.1442 63.71347 -0.8790171     1.524873  0.4083391      1.789704  -4.289138      2.912841  208.6567 90.75427 181.6317 89.44991 27.02499       127.4269 
1 1 1 -20 4  7  o 271.9396 78.05289 2.143776       1.610248  2.467244       1.839415  1.082844       3.331253  279.4049 101.1275 264.4744 118.9212 14.93048       156.1058 
1 1 1 -20 4  8  o 231.1248 68.59097 0.6021769      1.425134  -0.8823505     1.884700  2.584370       2.177815  180.1638 84.05434 282.0858 108.4147 -101.9220      137.1819 
1 1 1 -20 4  9  o 173.9604 57.48108 -0.9411924     1.260555  -0.3707781     1.802715  -1.486951      1.763324  185.8003 85.07752 162.1204 77.31826 23.67990       114.9622 
1 1 1 -20 4  10 o 242.0255 69.51202 1.584137       1.350032  2.089487       1.876568  1.042004       1.943666  258.5036 100.2819 225.5473 96.28725 32.95630       139.0240 
1 1 1 -20 4  11 o 182.3166 56.85806 -0.3076572     1.136654  1.157152       1.513650  -2.201769      1.721225  217.0065 88.13094 147.6267 71.86301 69.37982       113.7161 
1 1 1 -20 4  12 o 169.9087 57.67044 -1.544439      1.378835  -1.635330      1.742181  -1.392060      2.255786  156.5464 75.24367 183.2711 87.41801 -26.72467      115.3409 
1 1 1 -20 4  13 o 164.1467 56.95864 -2.107542      1.283775  -2.591861      1.487265  -0.6920019     2.542634  127.4685 62.98898 200.8249 94.91858 -73.35638      113.9173 
1 1 1 -20 5  1  o 289.4342 85.45710 1.824821       2.112683  0.1717927      2.737983  4.257357       3.321392  237.2333 107.1349 341.6351 133.1682 -104.4018      170.9142 
1 1 1 -20 5  2  o 261.4033 79.32185 1.262582       1.903418  2.171513       2.731237  0.4042684      2.654099  283.0349 117.0359 239.7717 107.1000 43.26320       158.6437 
1 1 1 -20 5  3  o 308.5651 83.62127 3.060993       1.846673  2.403760       2.605632  3.724272       2.617589  287.7226 116.0560 329.4077 120.4204 -41.68515      167.2425 
1 1 1 -20 5  4  o 409.3413 92.25748 5.095078       2.080485  10.32106       3.888265  2.998708       2.462668  514.3682 143.7465 304.3144 115.6837 210.0537       184.5150 
1 1 1 -20 5  5  o 275.3376 79.39213 2.065773       1.857338  -1.075810      3.722782  3.106902       2.143116  243.7398 115.0957 306.9354 109.3866 -63.19557      158.7843 
1 1 1 -20 5  6  o 182.5962 60.91352 -1.317010      1.467712  -1.325829      2.110900  -1.308757      2.042124  184.0333 86.83067 181.1591 85.45326 2.874176       121.8270 
1 1 1 -20 5  7  o 386.0612 92.80125 4.254906       1.833469  2.786998       2.043777  10.30644       4.149701  290.1806 106.3565 481.9417 152.1071 -191.7611      185.6025 
1 1 1 -20 5  8  o 404.7477 90.54367 5.914795       1.852150  5.327010       2.095109  8.017325       3.962493  395.3705 103.4686 414.1250 148.6165 -18.75458      181.0873 
1 1 1 -20 5  9  o 289.2416 72.79441 2.837714       1.361987  3.477245       1.936658  2.211889       1.915793  314.8333 104.2862 263.6498 101.5898 51.18353       145.5888 
1 1 1 -20 5  10 o 289.8931 72.07770 2.908549       1.311671  2.903194       1.815416  2.914398       1.897257  290.1687 100.9039 289.6175 102.9524 0.5512390      144.1554 
1 1 1 -20 5  11 o 218.1298 60.36386 0.1135556      1.244010  -2.958913      1.783668  3.023655       1.735898  140.7083 69.42937 295.5512 98.76611 -154.8428      120.7277 
1 1 1 -20 5  12 o 219.5098 63.47145 0.5736263      1.437223  2.630860       1.695664  -4.674763      2.708389  275.7341 97.40266 163.2854 81.40775 112.4487       126.9429 
1 1 1 -20 5  13 o 193.0585 61.28080 0.2994037      1.240366  0.7563701E-01  1.909333  0.4627922      1.631529  193.0879 88.08746 193.0291 85.21706 0.5886841E-01  122.5616 
1 1 1 -20 6  1  o 411.0415 83.25209 5.731261       2.089517  2.250633       2.816820  9.989954       3.115792  282.7147 118.0379 539.3683 117.4338 -256.6537      166.5042 
1 1 1 -20 6  2  o 397.8419 88.41108 5.842803       2.020606  6.855951       2.839179  4.802975       2.876319  436.1878 123.1640 359.4960 126.8727 76.69183       176.8222 
1 1 1 -20 6  3  o 356.9153 82.70908 4.289116       1.776926  2.778728       2.352851  6.294206       2.710923  294.4760 112.8035 419.3547 120.9899 -124.8788      165.4182 
1 1 1 -20 6  4  f 248.3917 75.17312 1.131691       1.693543  1.968085       2.480561  0.4014693      2.317779  270.1209 111.6029 226.6625 100.7412 43.45845       150.3462 
1 1 1 -20 6  5  o 222.3013 72.59621 -0.4152420     1.916669  -3.469727      3.686905  0.7159498      2.243681  213.9131 104.3590 230.6896 100.9457 -16.77649      145.1924 
1 1 1 -20 6  6  o 323.5225 89.79688 3.873951       2.082865  3.964862       3.750772  3.833416       2.504531  321.9723 135.4319 325.0727 117.9497 -3.100433      179.5938 
1 1 1 -20 6  7  o 192.1027 65.70059 -2.119873      1.868708  -0.7068617     2.102071  -7.444894      4.080705  192.2685 89.38914 191.9369 96.31123 0.3316650      131.4012 
1 1 1 -20 6  8  o 197.7568 68.21960 -1.966452      1.778978  -2.146619      2.022573  -1.350724      3.739044  164.2547 79.46581 231.2589 110.9092 -67.00424      136.4392 
1 1 1 -20 6  9  o 137.8806 47.91104 -2.657164      1.166553  -2.029779      1.616893  -3.338279      1.684707  144.4615 70.16734 131.2998 65.25654 13.16171       95.82208 
1 1 1 -20 6  10 o 408.4663 67.36898 5.671232       1.385923  6.774427       1.921386  4.474694       2.001020  463.3283 85.04500 353.6042 104.5068 109.7241       134.7380 
1 1 1 -20 6  11 o 226.9465 69.91466 1.058963       1.484951  1.153367       1.885899  0.9049398      2.408890  224.0895 95.23462 229.8035 102.3846 -5.714066      139.8293 
1 1 1 -20 6  12 o 220.7276 68.92097 0.8800138      1.531811  1.498539       1.881362  -0.3364492     2.638415  231.8572 96.60675 209.5981 98.32363 22.25906       137.8419 
1 1 1 -20 6  13 o 158.5466 55.03537 -2.050175      1.264988  -0.9161299     2.382824  -2.495208      1.492702  189.1394 90.11443 127.9538 63.20565 61.18565       110.0707 
1 1 1 -20 7  1  o 330.6856 88.38498 3.945331       2.051480  2.728926       2.756409  5.455805       3.071575  290.7845 118.6056 370.5867 131.0738 -79.80228      176.7700 
1 1 1 -20 7  2  o 242.6828 77.17542 0.5860949      1.984267  0.7516598      2.857133  0.4318360      2.757855  247.0346 110.6764 238.3311 107.5868 8.703537       154.3508 
1 1 1 -20 7  3  o 240.1182 72.72663 0.4640001      1.788004  2.717825       2.348554  -2.643448      2.757670  288.9281 112.1581 191.3082 92.61327 97.61986       145.4533 
1 1 1 -20 7  4  o 283.5090 79.33421 2.535071       1.669071  2.909014       2.592676  2.270416       2.181153  294.7466 116.8110 272.2715 107.3819 22.47513       158.6684 
1 1 1 -20 7  5  o 218.7668 68.61571 -0.3643959E-01 1.609298  1.760552       2.252274  -1.910829      2.300267  256.0719 106.1150 181.4618 87.01759 74.61006       137.2314 
1 1 1 -20 7  6  o 253.6676 81.24039 -0.7673683     2.410406  4.224467       3.622760  -4.732579      3.228810  322.4067 134.1730 184.9284 91.63840 137.4783       162.4808 
1 1 1 -20 7  7  o 255.6166 74.49767 1.893567       1.554777  2.026026       2.050911  1.714576       2.384083  258.0095 103.3528 253.2237 107.3211 4.785828       148.9953 
1 1 1 -20 7  8  o 229.6488 76.59049 -0.9625735     1.808143  -2.104642      2.040977  3.203716       3.898225  164.7927 79.75131 294.5049 130.7828 -129.7121      153.1810 
1 1 1 -20 7  9  o 421.8339 73.15343 6.328098       1.570436  7.258431       2.145493  5.254353       2.304934  469.9474 93.46657 373.7204 112.5598 96.22696       146.3069 
1 1 1 -20 7  10 o 327.1955 73.78828 3.901877       1.385164  3.585199       2.000419  4.193573       1.919896  312.3153 106.0163 342.0757 102.6615 -29.76038      147.5766 
1 1 1 -20 7  11 o 224.7116 70.39965 0.6400690      1.447465  -0.6004490E-01 1.721297  2.330556       2.674714  185.2131 84.16228 264.2102 112.8767 -78.99718      140.7993 
1 1 1 -20 7  12 o 302.4636 74.17271 3.515995       1.417270  2.804637       2.044654  4.173868       1.966287  273.6021 105.0732 331.3251 104.7186 -57.72296      148.3454 
1 1 1 -20 8  1  o 315.8136 86.16424 3.778125       1.947341  3.859717       2.556540  3.665358       3.005532  320.6624 118.7095 310.9647 124.9206 9.697754       172.3285 
1 1 1 -20 8  2  o 322.3631 86.30737 3.195480       2.090705  0.5828851      2.717778  6.982792       3.272228  236.7338 106.8398 407.9924 135.5769 -171.2586      172.6147 
1 1 1 -20 8  3  o 440.3615 89.59003 7.498735       2.101050  7.377961       2.858983  7.640553       3.098064  441.7131 123.1967 439.0099 130.1079 2.703156       179.1801 
1 1 1 -20 8  4  o 332.6313 82.82774 4.088293       1.719940  3.576766       2.271595  4.775501       2.632936  314.2266 112.5503 351.0361 121.5490 -36.80954      165.6555 
1 1 1 -20 8  5  o 237.5599 71.29343 0.8791285      1.595025  2.708453       2.275159  -0.8889422     2.236744  282.0663 110.1423 193.0534 90.55219 89.01292       142.5869 
1 1 1 -20 8  6  o 288.1231 82.86393 2.972920       1.961422  1.686955       3.248345  3.710825       2.460638  263.5397 118.0451 312.7065 116.3232 -49.16675      165.7279 
1 1 1 -20 8  7  o 298.2672 83.20916 0.7966629      1.998543  8.334488       3.643164  -2.448205      2.390310  421.7193 143.0714 174.8151 85.00366 246.9042       166.4183 
1 1 1 -20 8  8  o 196.0928 68.03973 -1.629229      1.703478  -1.580389      1.872727  -1.863387      4.100507  163.7259 78.51334 228.4597 111.1453 -64.73384      136.0795 
1 1 1 -20 8  9  o 264.3699 80.62076 1.790418       1.477443  1.419443       1.592946  4.073796       3.952008  226.0027 90.88954 302.7370 133.1838 -76.73427      161.2415 
1 1 1 -20 8  10 o 284.9675 71.72155 2.923940       1.584221  4.603424       1.962114  -0.2213361     2.685132  356.3623 102.9664 213.5726 99.86918 142.7897       143.4431 
1 1 1 -20 8  11 o 215.4895 67.49568 0.5960168      1.538644  1.800647       2.043213  -0.9819613     2.338500  241.7564 100.6993 189.2226 89.90170 52.53384       134.9914 
1 1 1 -20 8  12 o 217.3540 69.16836 0.8570325      1.447947  1.425252       2.795137  0.6486260      1.692780  236.7598 107.4556 197.9482 87.12257 38.81160       138.3367 
1 1 1 -20 9  1  o 288.5963 79.23288 2.965832       1.749021  4.074142       2.339240  1.560758       2.633867  326.3872 114.4811 250.8054 109.5695 75.58188       158.4658 
1 1 1 -20 9  2  o 290.0300 83.13757 3.010308       2.005888  4.191454       2.633086  1.376915       3.096411  325.2053 120.4572 254.8546 114.6188 70.35068       166.2751 
1 1 1 -20 9  3  o 281.9099 77.89927 2.327935       1.940290  4.893603       2.514320  -1.449434      3.050809  353.3955 118.8618 210.4242 100.7227 142.9713       155.7985 
1 1 1 -20 9  4  o 247.4475 76.40066 1.450709       1.828568  2.066138       2.259704  0.2832365      3.112331  258.9841 106.7114 235.9109 109.3660 23.07318       152.8013 
1 1 1 -20 9  5  o 225.6090 69.81319 0.6181402      1.621280  -1.234723      2.422108  2.122233       2.182273  192.2242 91.37672 258.9937 105.5738 -66.76949      139.6264 
1 1 1 -20 9  6  o 196.8144 63.99599 -0.3249846     1.487213  -1.244883      2.127514  0.5540922      2.079773  180.1642 85.64261 213.4646 95.11723 -33.30034      127.9920 
1 1 1 -20 9  7  o 195.6955 64.90168 -0.6035883     1.606494  -3.019446      3.096098  0.2864766      1.879273  191.4109 93.85581 199.9800 89.66603 -8.569107      129.8034 
1 1 1 -20 9  8  o 229.0869 68.88396 0.3421941      1.427610  -1.327278      1.771510  3.434872       2.411135  162.0681 77.34976 296.1057 114.0044 -134.0376      137.7679 
1 1 1 -20 9  9  o 278.5200 81.62051 2.841634       1.733453  2.886948       1.919479  2.641260       4.036344  281.5558 103.0903 275.4842 126.5702 6.071625       163.2410 
1 1 1 -20 9  10 o 216.2665 68.18076 0.7683275      1.519383  1.253316       1.893563  -0.1083825     2.545903  223.2033 95.15609 209.3297 97.67183 13.87352       136.3615 
1 1 1 -20 9  11 o 272.6964 77.27802 2.898303       1.616387  2.462865       2.175275  3.435163       2.415362  258.5801 105.4047 286.8127 113.0373 -28.23264      154.5560 
1 1 1 -20 9  12 o 209.8389 67.81496 -0.1866071     1.428969  3.222473       2.730328  -1.472680      1.676984  269.0385 114.4689 150.6394 72.74844 118.3990       135.6299 
1 1 1 -20 10 1  o 214.6341 70.55210 -0.1292534     1.828569  -0.7715556     2.422966  0.7205932      2.787069  197.2213 93.04539 232.0469 106.0799 -34.82559      141.1042 
1 1 1 -20 10 2  o 227.0604 73.50156 0.4836634      1.872202  0.1915930E-01  2.453346  1.131358       2.897004  211.9690 97.85445 242.1518 109.7015 -30.18279      147.0031 
1 1 1 -20 10 3  o 278.6410 76.26066 2.409597       1.742028  4.821894       2.438711  -0.1037538     2.489267  346.4101 117.0583 210.8719 97.77581 135.5381       152.5213 
1 1 1 -20 10 4  o 331.1499 80.71476 4.321641       1.638741  4.640802       2.398608  4.042260       2.244154  340.2942 116.0864 322.0056 112.1759 18.28864       161.4295 
1 1 1 -20 10 5  o 275.3201 79.33776 2.338376       1.739635  0.9352173      2.205688  4.647814       2.829722  223.7766 98.92252 326.8636 124.0655 -103.0870      158.6755 
1 1 1 -20 10 6  o 358.1357 71.64326 4.615469       1.561464  1.975688       2.157928  7.516662       2.262253  249.7836 103.7185 466.4877 98.86103 -216.7041      143.2865 
1 1 1 -20 10 7  o 300.6053 85.18449 3.860524       1.962918  3.078578       4.125748  4.089314       2.231684  280.3822 128.5042 320.8284 111.8582 -40.44617      170.3690 
1 1 1 -20 10 8  o 299.1897 87.65741 3.573431       1.995090  5.528787       3.789824  2.823790       2.346567  324.6359 136.3217 273.7435 110.2346 50.89240       175.3148 
1 1 1 -20 10 9  f 143.6203 70.11004 -2.103784      1.671406  -2.103784      1.671406  0.000000       0.000000  143.6203 70.11004 ?        ?        ?              ?        
1 1 1 -20 10 10 o 195.1331 64.50921 -0.3406960     1.544899  -0.9313568     2.000748  0.5315142      2.431274  175.5827 83.34361 214.6834 98.48653 -39.10071      129.0184 
1 1 1 -20 10 11 o 275.2322 64.24448 2.188998       1.307486  5.349033       1.935796  -0.4619899     1.773035  377.5251 99.77501 172.9393 80.95901 204.5858       128.4890 
1 1 1 -20 11 1  o 361.8874 72.51768 3.844101       1.917476  -1.228588      2.529749  10.69368       2.939613  191.0320 91.51368 532.7429 112.5189 -341.7109      145.0354 
1 1 1 -20 11 2  o 269.7708 77.38194 2.434967       1.899840  4.539879       2.469645  -0.6165251     2.973539  327.5850 117.3522 211.9566 100.8976 115.6284       154.7639 
1 1 1 -20 11 3  o 219.3135 70.18047 -1.535183      1.872986  -5.701655      2.518678  3.619279       2.801432  146.4270 73.75559 292.2000 119.4207 -145.7730      140.3609 
1 1 1 -20 11 4  o 212.2098 68.59087 0.3558854      1.646605  0.7651614      2.389389  -0.1426793E-01 2.272321  221.3459 100.0102 203.0738 93.89774 18.27206       137.1817 
1 1 1 -20 11 5  o 354.7759 76.73039 5.165239       1.656882  6.556259       2.172246  3.230144       2.562086  426.8131 101.9312 282.7386 114.7181 144.0745       153.4608 
1 1 1 -20 11 6  o 186.7676 61.37062 -0.5301301     1.414395  0.5665199      2.052604  -1.521629      1.951720  208.1684 93.49756 165.3668 79.52120 42.80154       122.7412 
1 1 1 -20 11 7  o 235.8504 69.70194 1.661079       1.442425  2.327958       1.842243  0.6045545      2.318801  256.5532 99.40629 215.1477 97.73347 41.40547       139.4039 
1 1 1 -20 11 8  o 176.4391 61.15613 -2.460639      1.820545  -3.499204      3.008859  -1.860831      2.286604  179.7137 88.94823 173.1646 83.95535 6.549011       122.3123 
1 1 1 -20 11 9  o 165.2254 78.88844 -1.140002      1.846567  -1.140002      1.846567  0.000000       0.000000  165.2254 78.88844 ?        ?        ?              ?        
1 1 1 -20 11 10 o 185.7578 60.55698 -0.2809655     1.329758  1.120815       2.010611  -1.370842      1.772869  214.7324 94.70953 156.7832 75.48972 57.94922       121.1140 
1 1 1 -20 11 11 f 182.3637 60.55455 -0.2166329     1.396987  0.1066352      2.170565  -0.4452315     1.825274  192.5599 89.96047 172.1675 81.08347 20.39247       121.1091 
1 1 1 -20 12 1  o 389.8123 88.48320 7.159028       2.095212  8.706156       2.873389  5.402439       3.061726  452.4900 122.4495 327.1346 127.7624 125.3555       176.9664 
1 1 1 -20 12 2  o 342.8468 87.10831 5.283884       1.923344  4.077707       2.516193  6.979171       2.983047  303.7162 116.5794 381.9774 129.4630 -78.26126      174.2166 
1 1 1 -20 12 3  o 202.9250 67.45831 -0.2253706     1.772415  -0.2485232     2.487615  -0.2014984     2.525972  202.0503 95.00330 203.7996 95.79597 -1.749252      134.9166 
1 1 1 -20 12 4  o 209.5918 67.04094 0.1160281      1.670929  1.986573       2.171701  -2.598010      2.615917  243.8222 102.8322 175.3614 86.04355 68.46078       134.0819 
1 1 1 -20 12 5  o 353.2849 85.60175 5.616234       1.850276  5.772797       2.523533  5.434212       2.720978  364.3271 118.9648 342.2428 123.1179 22.08426       171.2035 
1 1 1 -20 12 6  o 263.3145 79.71093 2.677201       1.838394  2.627227       3.374052  2.698301       2.192412  262.0748 118.5888 264.5541 106.5459 -2.479279      159.4219 
1 1 1 -20 12 7  o 287.0028 78.17612 3.492001       1.610515  3.680975       1.889254  2.989548       3.080609  306.6597 103.0337 267.3459 117.6013 39.31381       156.3522 
1 1 1 -20 12 8  o 212.8338 71.24205 -0.5269407E-01 2.087169  -3.567336      4.097801  1.178500       2.425345  201.6564 100.4734 224.0112 101.0288 -22.35472      142.4841 
1 1 1 -20 12 9  o 249.7874 103.2616 2.424159       2.125390  2.424159       2.125390  0.000000       0.000000  249.7874 103.2616 ?        ?        ?              ?        
1 1 1 -20 12 10 o 229.5182 77.09091 0.8536316      2.159538  -0.6055063     2.577428  4.291241       3.956094  190.8585 91.67915 268.1780 123.9636 -77.31950      154.1818 
1 1 1 -20 13 1  o 304.0692 90.01422 5.268082       2.458994  3.924002       4.306979  5.918079       2.995132  272.0710 126.9773 336.0673 127.6206 -63.99637      180.0284 
1 1 1 -20 13 2  o 232.0452 78.72244 0.7040117      2.552884  0.8127382      4.549637  0.6540473      3.084177  240.5395 117.0341 223.5510 105.3181 16.98843       157.4449 
1 1 1 -20 13 3  o 261.7120 75.48111 2.520709       1.651839  1.005379       2.261149  4.254895       2.418930  216.9040 97.71162 306.5199 115.0740 -89.61588      150.9622 
1 1 1 -20 13 4  o 227.3703 72.02613 1.238449       1.662335  0.5590393      2.116992  2.331069       2.684653  204.6332 93.12153 250.1074 109.9065 -45.47417      144.0523 
1 1 1 -20 13 5  o 199.1532 65.65393 -0.1782955     1.575588  -1.176553      2.021988  1.364805       2.513937  170.1742 81.59938 228.1322 102.8751 -57.95801      131.3079 
1 1 1 -20 13 6  o 148.9859 52.35054 -3.150900      1.469126  -3.514989      1.908400  -2.621246      2.301769  136.2794 68.00641 161.6925 79.60806 -25.41318      104.7011 
1 1 1 -20 13 7  o 145.5732 70.46465 -1.511355      1.595302  -1.511355      1.595302  0.000000       0.000000  145.5732 70.46465 ?        ?        ?              ?        
1 1 1 -20 13 8  o 227.1971 75.04772 1.295397       2.154878  0.4041435      3.411320  1.887156       2.779679  219.4404 105.4255 234.9538 106.8368 -15.51343      150.0954 
1 1 1 -20 13 9  o 258.5377 74.55281 2.988099       1.616913  3.937882       2.169020  1.800138       2.425785  290.2426 108.9667 226.8328 101.7779 63.40977       149.1056 
1 1 1 -20 14 1  o 375.1265 89.06749 7.489545       2.052984  7.338042       2.365739  7.951598       4.131444  421.7451 109.7442 328.5080 140.3150 93.23709       178.1350 
1 1 1 -20 14 2  o 190.6463 89.17071 0.2119936E-03  2.142945  0.2119936E-03  2.142945  0.000000       0.000000  190.6463 89.17071 ?        ?        ?              ?        
1 1 1 -20 14 3  o 240.6044 103.3387 2.204956       2.263260  2.204956       2.263260  0.000000       0.000000  240.6044 103.3387 ?        ?        ?              ?        
1 1 1 -20 14 4  o 238.7310 81.60398 0.6857141      2.857088  5.277664       4.555714  -2.291187      3.668091  279.4948 130.4924 197.9673 98.02327 81.52750       163.2080 
1 1 1 -20 14 5  o 263.5443 80.53354 2.530510       2.333885  -2.331824      3.522817  6.334096       3.115762  194.3591 96.20563 332.7295 129.1785 -138.3704      161.0671 
1 1 1 -20 14 6  o 236.1257 72.37424 1.633706       1.558013  0.3263522      1.941955  3.995301       2.610029  190.3512 87.58038 281.9002 115.2467 -91.54904      144.7485 
1 1 1 -20 14 7  o 273.8601 78.60005 3.228292       1.577327  2.319844       1.880868  5.381455       2.895653  240.5601 98.03060 307.1601 122.8897 -66.59999      157.2001 
1 1 1 -20 14 8  o 271.4827 79.74554 4.174180       1.988826  2.268966       4.261288  4.704762       2.248771  234.0412 113.7314 308.9242 111.8149 -74.88307      159.4911 
1 1 1 -20 15 1  o 222.4526 74.55901 1.246919       1.989976  0.4782599      2.321581  3.375908       3.863704  197.5951 92.54541 247.3101 116.9253 -49.71495      149.1180 
1 1 1 -20 15 2  o 212.5462 69.52335 1.011183       1.850465  2.178007       2.341648  -0.9292169     3.019706  232.4532 102.3836 192.6392 94.08287 39.81395       139.0467 
1 1 1 -20 15 3  o 226.5050 71.27360 1.014851       1.693084  -1.217250      2.179696  4.410047       2.688261  169.0689 81.96954 283.9412 116.6220 -114.8723      142.5472 
1 1 1 -20 15 4  o 216.5832 70.11402 1.090666       1.940602  2.827830       2.318468  -2.974345      3.546595  248.3759 105.5755 184.7905 92.29152 63.58543       140.2280 
1 1 1 -20 15 5  o 210.4726 93.76527 1.368625       2.019981  1.368625       2.019981  0.000000       0.000000  210.4726 93.76527 ?        ?        ?              ?        
1 1 1 -20 15 6  o 153.7766 73.15730 -0.6652294     1.558379  -0.6652294     1.558379  0.000000       0.000000  153.7766 73.15730 ?        ?        ?              ?        
1 1 1 -20 15 7  o 207.8005 70.16023 -0.3684295     1.809235  4.887690       3.295953  -2.635239      2.164491  266.5586 119.1868 149.0424 74.05629 117.5163       140.3205 
1 1 1 -20 16 1  o 180.6578 62.37818 -0.8155643     1.916153  0.3711453      2.306126  -3.461768      3.443678  188.5489 89.49240 172.7667 86.92101 15.78220       124.7564 
1 1 1 -20 16 2  o 150.7499 53.52168 -3.416380      1.734949  -2.578774      2.098081  -5.227746      3.085358  146.4443 72.79023 155.0555 78.48478 -8.611252      107.0434 
1 1 1 -20 16 3  o 182.5994 62.33995 -0.2774176     1.732537  0.3747311      2.103137  -1.654512      3.056160  185.6619 87.31557 179.5369 89.00040 6.125061       124.6799 
1 1 1 -20 16 4  f 211.5474 67.34721 0.9703620      1.800978  3.709458       2.285330  -3.518453      2.925575  261.3543 107.4575 161.7405 81.21252 99.61377       134.6944 
1 1 1 -20 16 5  o 228.2754 68.47763 2.418526       1.427918  2.893658       1.793316  1.595464       2.360292  248.0100 97.50961 208.5407 96.16974 39.46933       136.9553 
1 1 1 -19 0  1  o 791.4994 60.13668 17.28071       3.308469  17.28071       3.308469  17.28071       3.308469  791.4994 85.04610 791.4994 85.04610 -0.000000      0.000000 
1 1 1 -19 0  2  o 336.2306 93.50690 4.308494       2.159640  4.308494       2.159640  4.308494       2.159640  336.2306 132.2387 336.2306 132.2387 0.000000       0.000000 
1 1 1 -19 0  3  o 635.4824 82.17435 12.11460       3.369204  12.11460       3.369204  12.11460       3.369204  635.4824 116.2121 635.4824 116.2121 0.000000       0.000000 
1 1 1 -19 0  4  o 198.2282 91.44669 0.4653802      3.168180  0.4653802      3.168180  0.4653802      3.168180  198.2282 129.3251 198.2282 129.3251 -0.000000      0.000000 
1 1 1 -19 0  5  o 195.1763 90.02618 0.4594506      3.068912  0.4594506      3.068912  0.4594506      3.068912  195.1763 127.3162 195.1763 127.3162 -0.000000      0.000000 
1 1 1 -19 0  6  o 235.8850 92.81222 2.401448       2.322436  2.401448       2.322436  2.401448       2.322436  235.8850 131.2563 235.8850 131.2563 0.000000       0.000000 
1 1 1 -19 0  7  o 605.0620 81.02313 11.17254       3.143271  11.17254       3.143271  11.17254       3.143271  605.0620 114.5840 605.0620 114.5840 -0.000000      0.000000 
1 1 1 -19 0  8  o 361.0354 102.6861 5.295522       2.584599  5.295522       2.584599  5.295522       2.584599  361.0354 145.2200 361.0354 145.2200 -0.000000      0.000000 
1 1 1 -19 0  9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -19 0  10 o 325.6033 108.5080 5.066492       2.852872  5.066492       2.852872  5.066492       2.852872  325.6033 153.4535 325.6033 153.4535 -0.000000      0.000000 
1 1 1 -19 0  11 o 123.3533 58.44253 -0.2204281     1.440173  -0.2204281     1.440173  -0.2204281     1.440173  123.3533 82.65022 123.3533 82.65022 0.000000       0.000000 
1 1 1 -19 0  12 o 260.3060 81.80360 2.953842       1.612606  2.953842       1.612606  2.953842       1.612606  260.3060 115.6878 260.3060 115.6878 0.000000       0.000000 
1 1 1 -19 0  13 o 340.3604 89.71804 4.786897       2.035421  4.786897       2.035421  4.786897       2.035421  340.3604 126.8805 340.3604 126.8805 0.000000       0.000000 
1 1 1 -19 0  14 o 322.2251 81.90887 4.154960       1.729379  4.154960       1.729379  4.154960       1.729379  322.2251 115.8366 322.2251 115.8366 -0.000000      0.000000 
1 1 1 -19 0  15 o 120.2642 61.17978 -2.747539      2.582588  -2.747539      2.582588  -2.747539      2.582588  120.2642 86.52127 120.2642 86.52127 -0.000000      0.000000 
1 1 1 -19 1  1  o 248.5392 79.93626 -0.4802105     2.135964  -0.5795229     2.702377  -0.3148767     3.486784  232.5280 105.5821 264.5505 120.0485 -32.02251      159.8725 
1 1 1 -19 1  2  o 420.9866 88.18615 5.826343       1.978598  6.125923       2.391782  5.176865       3.521664  447.9052 106.9512 394.0681 140.2449 53.83716       176.3723 
1 1 1 -19 1  3  o 321.8733 81.20222 3.065442       1.822985  4.286934       2.209872  0.4637288      3.225163  372.7149 109.7320 271.0316 119.7250 101.6833       162.4044 
1 1 1 -19 1  4  f 469.8219 97.79742 7.523655       2.507216  6.489382       3.575141  8.524589       3.517049  434.4048 141.5870 505.2390 134.9461 -70.83429      195.5948 
1 1 1 -19 1  5  o 279.0829 99.05065 2.157245       1.755511  0.000000       0.000000  2.157245       1.755511  ?        ?        279.0829 99.05065 ?              ?        
1 1 1 -19 1  6  o 517.6626 132.4727 8.941222       3.486228  0.000000       0.000000  8.941222       3.486228  ?        ?        517.6626 132.4727 ?              ?        
1 1 1 -19 1  7  o 429.2443 121.9550 6.036747       2.774818  6.036747       2.774818  0.000000       0.000000  429.2443 121.9550 ?        ?        ?              ?        
1 1 1 -19 1  8  o 483.4067 90.24273 6.897396       2.127329  6.897396       2.127329  0.000000       0.000000  483.4067 90.24273 ?        ?        ?              ?        
1 1 1 -19 1  9  o 243.5519 67.71523 1.377700       1.209478  1.154534       1.583264  1.690430       1.874236  229.5001 91.17809 257.6037 100.1397 -28.10361      135.4305 
1 1 1 -19 1  10 o 285.6707 68.86143 2.444644       1.194340  1.978412       1.598520  3.033805       1.796943  261.5667 94.33425 309.7747 100.3426 -48.20804      137.7229 
1 1 1 -19 1  11 o 405.7375 71.86794 5.454273       1.473011  5.874856       1.927048  4.863136       2.284599  435.7405 90.31996 375.7345 111.8137 60.00601       143.7359 
1 1 1 -19 1  12 o 264.1873 72.58940 2.084409       1.333713  1.686812       2.569698  2.231001       1.560328  260.9975 111.0493 267.3770 93.51438 -6.379517      145.1788 
1 1 1 -19 1  13 o 243.1876 72.50304 1.392861       1.474924  1.416683       2.527614  1.380562       1.816194  251.2118 108.5557 235.1634 96.13754 16.04832       145.0061 
1 1 1 -19 1  14 o 250.7506 68.07636 1.674271       1.220811  2.961282       1.943539  0.8355458      1.568960  293.0084 104.1959 208.4928 87.63999 84.51561       136.1527 
1 1 1 -19 1  15 o 221.9016 71.29053 0.9589675E-01  1.718381  1.978061       2.735993  -1.130209      2.208260  258.7768 112.3816 185.0264 87.74809 73.75047       142.5811 
1 1 1 -19 2  1  o 813.4634 65.71166 18.69284       2.586836  17.36266       3.263567  20.94111       4.242879  784.5052 83.45120 842.4216 101.5283 -57.91638      131.4233 
1 1 1 -19 2  2  o 191.1904 65.55966 -3.882299      2.010622  -2.287929      2.705779  -5.848179      3.004527  204.4336 97.00423 177.9471 88.21823 26.48651       131.1193 
1 1 1 -19 2  3  o 257.3798 80.35753 0.3011268      2.056214  0.6850671      2.794894  -0.1518780     3.035882  261.9937 113.6815 252.7660 113.6038 9.227661       160.7151 
1 1 1 -19 2  4  o 361.4058 87.23349 3.769862       1.820144  2.944022       2.206442  5.528791       3.220096  316.2072 111.1687 406.6043 134.4628 -90.39709      174.4670 
1 1 1 -19 2  5  o 595.0312 120.9100 11.19102       3.518176  0.000000       0.000000  11.19102       3.518176  ?        ?        595.0312 120.9100 ?              ?        
1 1 1 -19 2  6  f 292.7505 106.9824 2.409512       2.065725  0.000000       0.000000  2.409512       2.065725  ?        ?        292.7505 106.9824 ?              ?        
1 1 1 -19 2  7  o 224.8877 66.36301 -0.3649065     1.399622  -2.409708      1.848244  2.384212       2.143041  158.1933 76.39057 291.5820 108.5388 -133.3887      132.7260 
1 1 1 -19 2  8  o 345.0679 77.81445 3.862637       1.554115  4.351134       1.935760  2.976789       2.606753  375.1783 100.0704 314.9574 119.1901 60.22086       155.6289 
1 1 1 -19 2  9  o 306.1262 71.55161 2.887357       1.295863  3.236433       1.833295  2.538788       1.831960  321.8020 101.0361 290.4503 101.3422 31.35168       143.1032 
1 1 1 -19 2  10 o 282.6813 65.39854 2.183568       1.253474  0.2240569      1.788874  4.073697       1.756919  205.0915 89.93000 360.2711 94.97615 -155.1796      130.7971 
1 1 1 -19 2  11 f 314.2176 70.77322 3.224291       1.267859  3.228642       1.818682  3.220177       1.768421  313.9987 100.8683 314.4364 99.30251 -0.4376221     141.5464 
1 1 1 -19 2  12 o 326.1422 69.08867 3.435939       1.247382  4.484955       1.872530  2.599073       1.672497  368.6146 98.47116 283.6697 96.93507 84.94489       138.1773 
1 1 1 -19 2  13 o 282.4849 76.98215 2.516375       1.495186  2.091861       1.848110  3.320691       2.543871  260.7408 99.95213 304.2289 117.1093 -43.48810      153.9643 
1 1 1 -19 2  14 o 159.6567 76.78310 -1.778818      1.820775  -1.778818      1.820775  0.000000       0.000000  159.6567 76.78310 ?        ?        ?              ?        
1 1 1 -19 2  15 o 398.8492 77.71259 6.506444       1.702187  4.634999       3.177467  7.259676       2.015843  322.3514 128.8147 475.3470 86.96993 -152.9955      155.4252 
1 1 1 -19 3  1  o 262.2924 79.13830 0.9941649      1.799062  0.8631830      3.027193  1.065688       2.236964  271.9743 118.1621 252.6106 105.3053 19.36377       158.2766 
1 1 1 -19 3  2  o 375.4683 77.99097 4.728904       1.898868  6.850652       2.322710  0.4532321      3.297238  479.1209 99.02929 271.8158 120.5138 207.3051       155.9819 
1 1 1 -19 3  3  o 244.7964 75.30183 0.4615392      1.691199  0.6652865      2.779252  0.3417327      2.131189  260.4326 113.1838 229.1603 99.35236 31.27229       150.6037 
1 1 1 -19 3  4  o 355.8111 79.72301 4.278451       1.777056  0.8501588      3.574583  5.403881       2.048073  286.5414 126.3370 425.0807 97.27283 -138.5393      159.4460 
1 1 1 -19 3  5  o 427.9478 87.94973 5.935687       1.919577  6.049888       3.588560  5.889912       2.271943  416.7255 141.9922 439.1700 103.8212 -22.44449      175.8995 
1 1 1 -19 3  6  o 491.7123 105.4932 7.408723       2.547463  0.000000       0.000000  7.408723       2.547463  ?        ?        491.7123 105.4932 ?              ?        
1 1 1 -19 3  7  o 277.7707 80.16091 1.710972       1.834072  0.1563807      3.070197  2.573579       2.286991  256.0154 114.7124 299.5260 112.0007 -43.51065      160.3218 
1 1 1 -19 3  8  o 195.2900 62.66507 -0.7083916     1.401484  0.4056788      1.749706  -2.702541      2.340925  211.6076 90.87222 178.9724 86.31270 32.63519       125.3301 
1 1 1 -19 3  9  o 333.0504 70.85257 3.794083       1.444265  4.895396       1.727850  1.240370       2.631096  404.4307 86.97173 261.6700 111.8761 142.7607       141.7051 
1 1 1 -19 3  10 o 267.8095 66.01625 1.797080       1.250137  3.661468       1.796573  0.4690298E-01  1.740675  337.9489 98.78206 197.6701 87.60528 140.2788       132.0325 
1 1 1 -19 3  11 o 306.2422 69.85080 3.062274       1.280043  2.135253       1.866342  3.885670       1.758938  266.4607 100.8487 346.0238 96.67513 -79.56311      139.7016 
1 1 1 -19 3  12 o 375.7132 67.71750 4.570037       1.289996  4.079801       1.741145  5.166601       1.920703  353.2579 95.20232 398.1685 96.32838 -44.91058      135.4350 
1 1 1 -19 3  13 o 291.4319 68.56145 2.674556       1.310864  1.039236       1.850479  4.321817       1.857223  224.5002 94.81590 358.3637 99.05873 -133.8635      137.1229 
1 1 1 -19 3  14 o 242.7056 71.98276 1.532961       1.431573  1.629367       1.712934  1.309649       2.607030  239.0982 94.88666 246.3129 108.2709 -7.214706      143.9655 
1 1 1 -19 3  15 o 328.3619 83.01143 3.680280       1.675986  7.029087       3.037741  2.214844       2.009506  399.2022 130.5320 257.5216 102.5914 141.6806       166.0229 
1 1 1 -19 4  1  o 334.6995 91.20213 3.268683       2.087428  3.522205       3.723175  3.152458       2.520904  345.1237 138.8979 324.2753 118.2315 20.84848       182.4043 
1 1 1 -19 4  2  o 353.8100 85.59504 3.736973       1.899549  5.569605       2.858766  2.288180       2.541816  411.2554 125.6878 296.3647 116.2266 114.8907       171.1901 
1 1 1 -19 4  3  o 497.3633 81.05039 7.879896       1.964636  7.270264       3.179239  8.256518       2.498866  467.0021 129.7945 527.7244 97.10851 -60.72232      162.1008 
1 1 1 -19 4  4  o 489.5906 87.36858 7.506687       2.015098  8.566347       3.788319  7.088556       2.379684  493.6436 143.2001 485.5376 100.1339 8.106049       174.7372 
1 1 1 -19 4  5  o 278.8401 77.75081 1.789757       1.767244  -1.427963      3.316941  3.065236       2.088335  239.2034 111.5686 318.4769 108.3199 -79.27353      155.5016 
1 1 1 -19 4  6  o 578.5688 60.20791 9.588883       1.702624  9.156987       2.281195  10.13208       2.558309  566.2091 81.96394 590.9286 88.21499 -24.71948      120.4158 
1 1 1 -19 4  7  o 364.8412 84.53748 4.318421       1.775536  4.638546       2.820054  4.108179       2.285380  371.9168 125.8773 357.7656 112.8772 14.15115       169.0750 
1 1 1 -19 4  8  o 231.8235 64.40310 0.5301193      1.270783  2.631227       1.828278  -1.433782      1.767575  295.0801 101.3371 168.5670 79.50993 126.5132       128.8062 
1 1 1 -19 4  9  o 317.2910 78.17971 2.874390       1.498744  1.913498       1.842128  4.755828       2.577671  263.1013 100.0441 371.4806 120.1642 -108.3793      156.3594 
1 1 1 -19 4  10 o 177.1662 57.55006 -0.6745900     1.183858  -0.1955142     1.705601  -1.119970      1.644526  189.1012 85.05533 165.2311 77.54759 23.87016       115.1001 
1 1 1 -19 4  11 o 307.8640 71.42123 3.140623       1.284867  3.143312       1.860728  3.138172       1.776361  307.3357 102.2415 308.3924 99.75289 -1.056702      142.8425 
1 1 1 -19 4  12 o 237.1223 63.85590 1.004756       1.184207  3.117367       1.809366  -0.5782955     1.566261  304.1182 100.8038 170.1265 78.41489 133.9917       127.7118 
1 1 1 -19 4  13 o 210.9288 62.76133 0.7306782      1.186190  1.522278       1.610789  -0.2071997     1.753311  234.7936 92.38198 187.0640 84.97945 47.72968       125.5227 
1 1 1 -19 4  14 o 329.1148 81.65877 4.238838       1.715420  4.634493       2.159526  3.562279       2.823921  355.2701 109.3510 302.9595 121.3053 52.31061       163.3175 
1 1 1 -19 4  15 o 212.2880 92.39573 0.8609890      1.857503  0.000000       0.000000  0.8609890      1.857503  ?        ?        212.2880 92.39573 ?              ?        
1 1 1 -19 5  1  o 465.1955 89.86804 7.714230       2.380847  4.270572       3.745598  10.04888       3.084051  361.6455 141.2926 568.7455 111.0921 -207.1001      179.7361 
1 1 1 -19 5  2  o 316.7987 90.59446 2.682781       2.218418  2.776405       3.536445  2.622035       2.848595  323.6695 133.4457 309.9280 122.5629 13.74146       181.1889 
1 1 1 -19 5  3  o 310.1518 85.43584 1.828431       1.869322  5.120192       3.380461  0.3784896      2.243557  387.1029 137.4431 233.2007 101.5211 153.9022       170.8717 
1 1 1 -19 5  4  o 282.8616 77.98121 1.919461       1.551122  2.825642       2.622655  1.431965       1.923621  312.8664 119.2748 252.8569 100.4878 60.00946       155.9624 
1 1 1 -19 5  5  o 410.7382 75.72815 5.630908       1.682568  3.358843       2.686795  7.096847       2.158152  329.9337 121.7846 491.5425 90.04182 -161.6088      151.4563 
1 1 1 -19 5  6  o 389.7931 73.76097 4.731761       1.490012  4.134171       2.057360  5.390974       2.160837  362.7943 105.6127 416.7919 102.9984 -53.99765      147.5219 
1 1 1 -19 5  7  o 610.4590 74.90971 10.84980       2.139231  14.23073       3.728107  9.190139       2.612044  669.3823 114.1013 551.5358 97.09150 117.8466       149.8194 
1 1 1 -19 5  8  o 265.6019 77.49702 1.432671       1.633236  2.552711       2.723268  0.8035212      2.041036  298.4303 119.2540 232.7735 99.00319 65.65678       154.9940 
1 1 1 -19 5  9  o 257.6571 70.23888 1.593026       1.493775  3.013510       1.823016  -1.309482      2.605909  307.7268 101.1442 207.5875 97.48771 100.1393       140.4778 
1 1 1 -19 5  10 o 530.9293 58.38783 8.612197       1.457167  10.93041       2.029302  6.144517       2.093698  622.7326 65.34048 439.1259 96.78416 183.6067       116.7757 
1 1 1 -19 5  11 o 408.1104 66.16155 5.269322       1.349794  6.874280       2.021839  3.978817       1.812987  470.2834 88.15770 345.9375 98.67941 124.3459       132.3231 
1 1 1 -19 5  12 f 464.8896 61.98115 6.705056       1.393066  9.556167       2.082814  4.397234       1.873892  568.6985 74.10138 361.0806 99.37624 207.6179       123.9623 
1 1 1 -19 5  13 o 237.2202 66.71047 1.372142       1.209770  2.490004       1.885097  0.5893653      1.577460  273.8738 101.8270 200.5666 86.21144 73.30721       133.4209 
1 1 1 -19 5  14 o 205.6696 66.08204 -0.5571691     1.512957  -2.142680      1.953475  1.819544       2.391726  159.3715 77.34393 251.9676 107.1693 -92.59605      132.1641 
1 1 1 -19 5  15 o 261.3386 79.98197 1.136678       1.692127  5.882354       3.482772  -0.3297241     1.935987  337.0702 134.8028 185.6071 86.12003 151.4631       159.9639 
1 1 1 -19 6  1  o 340.2170 88.76712 3.693508       2.018515  3.763921       2.873590  3.624925       2.836004  342.4922 126.0246 337.9419 125.0448 4.550293       177.5342 
1 1 1 -19 6  2  o 460.4245 85.51103 6.893898       2.034194  5.617160       2.759058  8.414443       3.010992  410.7099 123.0261 510.1391 118.7986 -99.42926      171.0221 
1 1 1 -19 6  3  o 233.0835 71.77237 -0.6900575E-01 1.631270  -1.458388      2.170358  1.735023       2.473103  190.5076 89.30702 275.6594 112.3804 -85.15181      143.5447 
1 1 1 -19 6  4  o 319.5583 78.11198 3.134909       1.557556  3.701810       2.161360  2.522442       2.246543  342.5985 109.9513 296.5182 110.9803 46.08032       156.2240 
1 1 1 -19 6  5  o 275.4561 76.03677 1.690212       1.618854  0.2429039      2.252286  3.237024       2.328422  228.4425 100.5204 322.4698 114.1141 -94.02724      152.0735 
1 1 1 -19 6  6  o 155.1237 53.46468 -2.941436      1.371215  -3.921222      2.042876  -2.138062      1.849844  148.8366 73.59910 161.4108 77.56970 -12.57419      106.9294 
1 1 1 -19 6  7  o 191.2172 60.91915 -0.6358033     1.314034  0.5714803      1.733701  -2.265622      2.014370  214.6218 91.26327 167.8125 80.71918 46.80925       121.8383 
1 1 1 -19 6  8  o 239.8282 74.52260 -0.7936078     1.644004  3.271664       3.085251  -2.405605      1.942799  318.5632 127.0531 161.0932 77.92290 157.4701       149.0452 
1 1 1 -19 6  9  o 381.9373 76.55341 5.122477       1.534404  5.510093       1.814447  4.149367       2.874910  424.9236 87.26431 338.9511 125.8040 85.97253       153.1068 
1 1 1 -19 6  10 o 237.6990 71.37392 0.6684242      1.437309  -0.3203972     1.752715  2.698699       2.511480  186.5066 84.81826 288.8913 114.8164 -102.3847      142.7478 
1 1 1 -19 6  11 o 348.5534 68.54340 3.908971       1.332558  2.269193       1.782882  5.984420       2.005794  267.2666 99.09557 429.8403 94.72518 -162.5737      137.0868 
1 1 1 -19 6  12 o 198.8717 62.11292 0.2986908      1.232280  -0.8937355E-02 1.788809  0.5765296      1.699994  192.8430 86.88728 204.9005 88.78434 -12.05748      124.2258 
1 1 1 -19 6  13 o 173.8086 58.12593 -1.157145      1.353799  -1.387357      1.938014  -0.9377477     1.891939  170.9324 81.39280 176.6848 83.00427 -5.752350      116.2519 
1 1 1 -19 6  14 o 303.8434 80.88398 3.240532       1.691557  1.877676       2.137393  5.524916       2.767220  248.2643 103.1670 359.4226 124.6012 -111.1583      161.7680 
1 1 1 -19 7  1  o 689.9516 63.42069 14.01666       2.132830  11.84541       3.002765  16.22744       3.029974  626.6049 97.85393 753.2983 80.70531 -126.6935      126.8414 
1 1 1 -19 7  2  o 561.0588 77.63849 9.918346       2.116177  10.11399       2.860841  9.681945       3.144713  574.8637 102.0352 547.2540 117.0460 27.60968       155.2770 
1 1 1 -19 7  3  o 730.3618 58.56320 15.33275       2.122426  15.33865       2.914983  15.32609       3.096348  733.5668 79.77579 727.1567 85.75789 6.410034       117.1264 
1 1 1 -19 7  4  o 584.8896 64.36634 10.12224       1.835869  11.27746       2.630035  9.024426       2.563852  622.5112 85.72456 547.2681 96.03854 75.24304       128.7327 
1 1 1 -19 7  5  o 438.5693 77.75661 6.174504       1.733373  5.248001       2.397093  7.189927       2.509487  400.0650 113.2416 477.0735 106.5866 -77.00851      155.5132 
1 1 1 -19 7  6  o 508.5503 82.11465 9.116906       2.024597  10.27075       2.477053  6.794821       3.513987  591.9324 85.10419 425.1682 140.4583 166.7643       164.2293 
1 1 1 -19 7  7  o 373.8913 78.60944 4.557223       1.638590  3.257140       2.215634  6.126740       2.434419  316.9345 111.4014 430.8481 110.9392 -113.9137      157.2189 
1 1 1 -19 7  8  o 394.9548 76.88190 6.149804       1.919897  1.172505       3.675957  8.016803       2.251364  276.9566 124.6915 512.9529 89.97408 -235.9962      153.7638 
1 1 1 -19 7  9  o 489.5104 58.83063 7.323656       1.381536  8.052553       1.857061  6.420296       2.067393  527.9279 71.30575 451.0929 93.59306 76.83493       117.6613 
1 1 1 -19 7  10 o 517.9220 75.32957 9.792508       1.770116  10.92994       2.124238  7.208216       3.201924  614.8380 69.46110 421.0060 133.6912 193.8319       150.6591 
1 1 1 -19 7  11 o 156.7615 53.96802 -2.168277      1.314026  -1.680585      1.604283  -3.162396      2.290485  149.8302 72.06129 163.6929 80.35770 -13.86272      107.9360 
1 1 1 -19 7  12 o 191.9068 59.80727 0.1172397      1.173801  0.9877843      1.617105  -0.8522280     1.706512  214.0336 89.40533 169.7800 79.46274 44.25363       119.6145 
1 1 1 -19 7  13 o 203.5793 62.99572 0.4578186      1.279112  1.209095       1.666530  -0.6192835     1.995454  221.1444 91.43065 186.0143 86.68495 35.13010       125.9914 
1 1 1 -19 7  14 o 184.1140 59.36965 -0.6164854E-01 1.208625  0.2565763E-02  1.877368  -0.1071014     1.579479  191.2906 87.29835 176.9373 80.48615 14.35332       118.7393 
1 1 1 -19 8  1  o 760.2195 60.35780 16.82714       2.278234  18.18280       3.337564  15.64435       3.117500  789.5760 84.82310 730.8630 85.89120 58.71301       120.7156 
1 1 1 -19 8  2  f 786.7030 59.17767 17.90955       2.316777  16.95249       3.166684  19.01180       3.398411  764.6715 83.13828 808.7345 84.23785 -44.06299      118.3553 
1 1 1 -19 8  3  o 432.7345 80.98637 6.347383       1.858727  7.699984       2.516847  4.724598       2.756782  495.5233 103.6565 369.9457 124.4608 125.5776       161.9727 
1 1 1 -19 8  4  o 314.3293 77.28336 3.138933       1.541050  3.790387       2.077992  2.342780       2.297207  342.3646 107.5801 286.2939 110.9837 56.07065       154.5667 
1 1 1 -19 8  5  o 272.2521 77.46857 1.883945       1.689959  2.668183       2.160536  0.6478473      2.712465  295.3508 109.1707 249.1534 109.9422 46.19743       154.9371 
1 1 1 -19 8  6  o 276.3607 76.05454 2.179701       1.524182  2.317985       1.988530  1.982749       2.373155  279.3412 104.4402 273.3801 110.5867 5.961151       152.1091 
1 1 1 -19 8  7  o 353.4944 77.95915 4.294048       1.559359  4.658206       2.000531  3.730229       2.489255  378.0076 102.1213 328.9811 117.8209 49.02646       155.9183 
1 1 1 -19 8  8  o 527.9047 83.20111 9.288099       1.995244  10.80159       3.770010  8.699239       2.351575  525.7140 139.3835 530.0953 90.89529 -4.381348      166.4022 
1 1 1 -19 8  9  o 346.0266 81.25104 3.568590       1.667318  7.351490       2.957869  1.806787       2.018577  438.4739 126.3441 253.5792 102.1964 184.8947       162.5021 
1 1 1 -19 8  10 o 245.8276 74.32070 1.427529       1.583016  1.266934       1.961204  1.727773       2.681597  233.0488 97.97454 258.6064 111.7822 -25.55756      148.6414 
1 1 1 -19 8  11 o 213.4845 60.69905 -0.3257026     1.182225  3.049646       1.879056  -2.537210      1.520984  295.3203 102.6594 131.6488 64.79620 163.6715       121.3981 
1 1 1 -19 8  12 o 225.5747 66.46168 1.252033       1.237874  1.155937       2.026497  1.309232       1.563465  228.3536 97.92238 222.7957 89.88785 5.557907       132.9234 
1 1 1 -19 8  13 o 276.7214 76.27077 2.177833       1.650276  0.2067353      2.147619  5.019819       2.578780  206.1482 93.80390 347.2947 120.2903 -141.1465      152.5415 
1 1 1 -19 8  14 o 233.5261 72.89851 1.404276       1.485517  1.697541       3.248376  1.326726       1.670421  248.0732 113.8172 218.9790 91.11760 29.09428       145.7970 
1 1 1 -19 9  1  o 338.9698 88.63189 4.027149       2.058107  4.746844       2.734023  3.085988       3.126508  365.5619 123.9413 312.3779 126.7320 53.18399       177.2638 
1 1 1 -19 9  2  o 307.1003 79.48611 2.657218       1.892774  5.060340       2.516441  -0.4736117     2.872292  382.9240 118.0719 231.2766 106.4481 151.6475       158.9722 
1 1 1 -19 9  3  o 396.5298 81.94039 5.480426       1.809750  6.578411       2.435922  4.127754       2.703720  448.5432 108.4606 344.5165 122.8544 104.0266       163.8808 
1 1 1 -19 9  4  o 303.9257 80.28506 2.772376       1.885689  4.586358       2.425371  0.8898496E-05  2.998383  365.0955 116.3998 242.7558 110.6067 122.3398       160.5701 
1 1 1 -19 9  5  o 421.7773 76.54399 6.240609       1.760121  8.150478       2.337683  3.740620       2.674564  514.6480 93.14980 328.9066 121.4868 185.7414       153.0880 
1 1 1 -19 9  6  o 298.4339 77.39568 2.896066       1.533593  3.121447       2.165828  2.669432       2.171840  306.8741 109.9008 289.9937 109.0054 16.88031       154.7914 
1 1 1 -19 9  7  o 585.7589 62.71943 10.58875       1.775605  12.17993       2.493190  8.951059       2.529371  642.2009 78.30473 529.3169 97.99632 112.8840       125.4389 
1 1 1 -19 9  8  o 593.6843 64.34438 11.70226       1.705840  14.70790       2.243034  7.579299       2.627070  722.8652 61.88742 464.5035 112.8306 258.3617       128.6888 
1 1 1 -19 9  9  o 252.8892 75.84586 -1.320285      1.664049  5.834938       3.289025  -3.781977      1.929178  365.9059 134.7987 139.8724 69.56792 226.0335       151.6917 
1 1 1 -19 9  10 o 215.4703 68.91533 -0.1256866     1.541793  -1.211946      1.911586  1.896321       2.608064  172.4868 81.75455 258.4539 110.9661 -85.96710      137.8307 
1 1 1 -19 9  11 o 256.6991 70.58807 2.027343       1.310851  2.872544       2.032772  1.425671       1.715096  283.8412 105.6993 229.5570 93.58614 54.28419       141.1761 
1 1 1 -19 9  12 o 194.9249 61.93503 0.1685301      1.248601  -0.1168968     1.611249  0.5975867      1.975479  179.4881 81.50941 210.3617 93.27383 -30.87358      123.8701 
1 1 1 -19 9  13 o 242.4444 73.26517 0.9321960      1.454219  -0.2620240     1.701278  4.171678       2.802017  177.9023 81.89752 306.9866 121.5070 -129.0843      146.5303 
1 1 1 -19 10 1  o 215.5788 69.60080 -0.9299157     1.812778  1.276069       2.469454  -3.507837      2.669528  251.8209 108.0438 179.3368 87.77032 72.48412       139.2016 
1 1 1 -19 10 2  o 362.3297 85.01720 4.665062       1.838371  3.751085       2.513481  5.716427       2.695781  327.5547 118.2658 397.1048 122.1675 -69.55014      170.0344 
1 1 1 -19 10 3  o 406.8191 83.39690 5.788719       1.791409  5.493225       2.304957  6.239494       2.846871  402.0356 110.0372 411.6026 125.3475 -9.566956      166.7938 
1 1 1 -19 10 4  o 480.8471 73.55775 7.525202       1.734379  8.037381       2.565696  7.094212       2.353575  494.5522 105.6801 467.1420 102.3459 27.41019       147.1155 
1 1 1 -19 10 5  o 458.9120 92.41040 8.164682       2.188576  7.977697       4.172150  8.235668       2.570655  417.9872 152.1472 499.8368 104.9284 -81.84961      184.8208 
1 1 1 -19 10 6  o 213.6806 66.06732 0.5213805      1.350863  0.6751064      2.007753  0.3942305      1.825976  220.5616 96.02845 206.7997 90.76398 13.76183       132.1346 
1 1 1 -19 10 7  o 213.5795 66.20368 0.5173842      1.353480  0.1691855      1.777380  0.9980064      2.088184  197.5663 87.98956 229.5927 98.94215 -32.02638      132.4074 
1 1 1 -19 10 8  o 179.1824 58.87578 -0.9503445     1.254183  -1.839232      1.602903  0.4530111      2.014039  146.7880 70.94708 211.5769 93.97841 -64.78889      117.7516 
1 1 1 -19 10 9  o 345.3959 85.49139 3.037524       1.819978  9.852090       3.622001  0.7357991      2.105020  471.3128 140.9085 219.4790 96.84995 251.8338       170.9828 
1 1 1 -19 10 10 o 334.5152 83.29922 4.303668       1.692445  3.694315       2.099778  5.433607       2.859344  313.7469 108.5522 355.2835 126.3782 -41.53659      166.5984 
1 1 1 -19 10 11 o 282.6038 66.20348 2.750484       1.248942  1.028633       1.893165  4.077338       1.661891  219.1974 94.33627 346.0101 92.91000 -126.8128      132.4070 
1 1 1 -19 10 12 o 301.3636 74.44132 3.693922       1.552629  4.498180       1.836559  1.679159       2.906827  354.2750 98.71613 248.4521 111.4503 105.8229       148.8826 
1 1 1 -19 10 13 o 231.5702 64.88441 1.172938       1.281010  -0.7374888     1.745336  3.403912       1.886084  167.9256 79.14691 295.2148 102.8383 -127.2893      129.7688 
1 1 1 -19 11 1  f 279.5785 84.84230 1.865576       1.964321  4.141255       3.671271  0.9527755      2.325138  323.2094 134.8348 235.9477 103.0167 87.26172       169.6846 
1 1 1 -19 11 2  o 163.0170 56.99134 -3.966836      1.711369  -4.521774      2.334023  -3.321590      2.516781  153.0273 76.17675 173.0067 84.78888 -19.97942      113.9827 
1 1 1 -19 11 3  o 249.4898 74.92685 1.247352       1.705514  2.586157       2.433590  -0.4489286E-01 2.390898  282.6380 112.8040 216.3416 98.64783 66.29643       149.8537 
1 1 1 -19 11 4  o 268.4841 75.48824 2.223933       1.577842  2.820615       1.978820  1.182322       2.614496  289.5183 104.8740 247.4498 108.6063 42.06851       150.9765 
1 1 1 -19 11 5  o 797.3893 52.28525 18.76102       2.079918  19.73775       2.903893  17.73207       2.980500  824.1604 70.26733 770.6182 77.44347 53.54224       104.5705 
1 1 1 -19 11 6  o 650.3353 53.75317 12.63655       1.716164  14.68811       2.473007  10.73079       2.383512  709.1409 69.78652 591.5297 81.77686 117.6111       107.5063 
1 1 1 -19 11 7  o 311.8773 67.46838 2.692220       1.399672  0.1518889      1.827036  6.301210       2.177683  196.5413 88.24751 427.2133 102.0799 -230.6720      134.9368 
1 1 1 -19 11 8  f 230.9844 67.09961 1.024844       1.308166  -0.2374147     1.709117  2.810372       2.032737  181.4695 83.00078 280.4993 105.4528 -99.02974      134.1992 
1 1 1 -19 11 9  o 264.5009 80.88808 1.478210       1.725257  5.044385       3.502164  0.3354415      1.982505  325.0617 133.2644 203.9401 91.71767 121.1216       161.7762 
1 1 1 -19 11 10 o 308.6373 73.53106 3.549537       1.357923  3.474530       2.100394  3.603403       1.779933  301.2791 108.1929 315.9955 99.60710 -14.71640      147.0621 
1 1 1 -19 11 11 o 157.9998 72.80130 -0.4046436     1.348484  -0.4046436     1.348484  0.000000       0.000000  157.9998 72.80130 ?        ?        ?              ?        
1 1 1 -19 11 12 o 266.1506 76.39063 2.255866       1.502728  1.242547       1.797233  4.610402       2.739580  217.5444 92.72289 314.7567 121.4272 -97.21230      152.7813 
1 1 1 -19 12 1  o 290.2249 86.56194 2.562253       1.879492  1.779970       2.141616  5.184007       3.920630  249.0559 103.3635 331.3939 138.8808 -82.33800      173.1239 
1 1 1 -19 12 2  o 285.3123 75.44523 2.532770       1.818609  4.938744       2.312948  -1.363328      2.943307  362.3281 113.4418 208.2966 99.49320 154.0316       150.8905 
1 1 1 -19 12 3  o 292.1819 78.46490 3.093108       1.601343  3.154218       2.228818  3.027906       2.302250  294.6565 110.4909 289.7072 111.4393 4.949310       156.9298 
1 1 1 -19 12 4  o 323.0127 74.34312 3.354846       1.681580  0.3488172      2.312312  6.729173       2.449872  216.8882 98.15455 429.1371 111.6838 -212.2489      148.6862 
1 1 1 -19 12 5  o 334.9251 75.72076 4.231112       1.577934  5.658748       2.132213  2.502585       2.346172  399.2979 104.3249 270.5524 109.7764 128.7455       151.4415 
1 1 1 -19 12 6  o 197.1807 62.22843 -0.2548951E-01 1.310144  1.325964       1.902198  -1.245197      1.807104  228.7496 96.34513 165.6118 78.78531 63.13779       124.4569 
1 1 1 -19 12 7  o 160.9835 54.23984 -1.306196      1.191875  -1.823314      1.556659  -0.5735145     1.852918  142.6513 69.18659 179.3157 83.55271 -36.66438      108.4797 
1 1 1 -19 12 8  o 358.2966 76.24039 4.872409       1.493909  4.808822       2.041681  4.945683       2.191700  359.0655 105.4055 357.5276 110.1820 1.537872       152.4808 
1 1 1 -19 12 9  o 170.1562 60.09026 -2.387113      1.448791  -2.213481      3.413790  -2.425256      1.600030  204.6307 99.95972 135.6818 66.71889 68.94887       120.1805 
1 1 1 -19 12 10 o 402.1855 65.07861 5.510944       1.430792  9.340762       2.162287  2.527947       1.908318  540.6401 81.53316 263.7308 101.4556 276.9093       130.1572 
1 1 1 -19 12 11 f 263.8715 98.40902 2.577898       1.763324  2.577898       1.763324  0.000000       0.000000  263.8715 98.40902 ?        ?        ?              ?        
1 1 1 -19 12 12 o 276.5870 72.45940 3.107758       1.346413  3.013614       1.860543  3.211267       1.950899  273.8347 101.2903 279.3392 103.6423 -5.504456      144.9188 
1 1 1 -19 13 1  o 471.6949 85.26460 9.770828       2.139026  10.86215       2.589856  7.428689       3.794077  571.0886 92.75822 372.3014 143.0948 198.7872       170.5292 
1 1 1 -19 13 2  o 362.1012 96.29511 4.916940       2.091560  3.149535       2.379693  10.91837       4.385108  285.5374 112.3062 438.6649 156.4555 -153.1275      192.5902 
1 1 1 -19 13 3  f 349.9176 83.63036 4.983089       1.837825  3.358903       2.512187  6.853169       2.695654  290.7722 115.0634 409.0630 121.3943 -118.2907      167.2607 
1 1 1 -19 13 4  o 246.6830 74.41782 1.640370       1.657840  0.5835007      2.224385  2.961031       2.486538  214.9995 96.87822 278.3665 112.9897 -63.36705      148.8356 
1 1 1 -19 13 5  o 204.8332 65.32900 0.3089674      1.456211  -0.4649923     2.094941  1.032538       2.025597  189.5149 88.48463 220.1514 96.13524 -30.63647      130.6580 
1 1 1 -19 13 6  o 176.4588 56.45230 -0.2660566     1.148983  0.7801063      1.493629  -1.782474      1.798260  198.1659 84.49779 154.7517 74.88373 43.41420       112.9046 
1 1 1 -19 13 7  o 287.7407 70.81892 3.074239       1.364718  4.246392       1.861773  1.712997       2.006330  338.5728 100.9793 236.9085 99.31995 101.6642       141.6378 
1 1 1 -19 13 8  o 158.1779 53.54705 -1.293836      1.219496  -1.246185      1.685258  -1.346215      1.766891  157.0829 75.10146 159.2729 76.34735 -2.190018      107.0941 
1 1 1 -19 13 9  o 290.8224 73.13699 3.267976       1.393830  4.117407       1.965123  2.408004       1.977279  324.8224 104.9037 256.8223 101.9377 68.00018       146.2740 
1 1 1 -19 13 10 o 276.2026 82.94278 1.681426       1.813529  7.779634       3.676176  -0.2800000     2.084881  364.1918 140.6152 188.2135 88.00790 175.9782       165.8856 
1 1 1 -19 13 11 o 227.0825 94.48911 1.723023       1.796314  1.723023       1.796314  0.000000       0.000000  227.0825 94.48911 ?        ?        ?              ?        
1 1 1 -19 14 1  o 214.3653 69.03548 0.9222998E-01  1.903933  2.117322       2.147057  -7.361239      4.119082  247.0139 103.0863 181.7168 91.85207 65.29716       138.0710 
1 1 1 -19 14 2  o 201.8000 69.04914 -2.557117      2.277898  -7.074061      3.341161  1.365798       3.113719  163.5995 82.69704 240.0005 110.5999 -76.40100      138.0983 
1 1 1 -19 14 3  o 258.9431 80.88171 1.823973       1.875408  4.933322       3.536717  0.6076668      2.212010  306.8323 130.4087 211.0538 95.71297 95.77844       161.7634 
1 1 1 -19 14 4  o 267.1354 73.94526 2.621513       1.692998  4.259584       2.131228  -0.1800407     2.787168  323.6940 109.4299 210.5769 99.48215 113.1171       147.8905 
1 1 1 -19 14 5  o 183.8626 61.24926 -0.6330283     1.482008  -0.1467260     2.059796  -1.154961      2.133921  191.1765 88.74911 176.5487 84.43626 14.62775       122.4985 
1 1 1 -19 14 6  o 166.3121 55.90458 -0.8763535     1.216549  -0.8941193     1.502079  -0.8424813     2.074062  153.6001 72.70591 179.0242 84.94199 -25.42412      111.8092 
1 1 1 -19 14 7  o 276.1154 67.65816 2.783502       1.307374  4.269804       1.774436  1.018575       1.933616  339.2964 97.88430 212.9344 93.43005 126.3620       135.3163 
1 1 1 -19 14 8  f 333.8864 67.77418 4.031418       1.433040  7.078712       2.100218  1.376732       1.960261  445.7161 95.91567 222.0567 95.77861 223.6594       135.5484 
1 1 1 -19 14 9  o 335.9757 75.87394 4.813205       1.560926  6.047386       2.115906  3.339565       2.312079  394.5476 104.3324 277.4038 110.1915 117.1438       151.7479 
1 1 1 -19 14 10 o 196.5836 66.16302 -0.3885681     1.603896  1.518896       2.940050  -1.196769      1.913754  229.8161 106.4541 163.3510 78.59846 66.46504       132.3260 
1 1 1 -19 14 11 f 222.4978 70.48759 1.297655       1.362990  0.6827940      1.537865  3.549354       2.942963  185.9743 82.38656 259.0213 114.3961 -73.04707      140.9752 
1 1 1 -19 15 1  o 223.0307 68.96858 1.065909       1.663289  2.824909       2.118936  -1.757839      2.684712  262.9349 105.1493 183.1265 89.27641 79.80840       137.9372 
1 1 1 -19 15 2  o 230.2692 74.18253 1.455622       1.822049  1.834181       2.045300  0.1620272E-05  4.010649  233.5500 99.21467 226.9885 110.3116 6.561432       148.3651 
1 1 1 -19 15 3  o 197.2334 70.40096 -2.090655      1.833876  -2.598991      1.971538  1.172804       4.995381  148.8340 73.35451 245.6328 120.1844 -96.79883      140.8019 
1 1 1 -19 15 4  o 419.5038 103.0197 7.155489       2.179407  4.811455       2.403531  17.99499       5.168594  325.4568 115.8575 513.5507 170.3799 -188.0939      206.0394 
1 1 1 -19 15 5  o 241.5024 77.58536 1.905559       1.934653  1.639317       4.064979  1.983526       2.199763  244.4240 116.7981 238.5807 102.1576 5.843262       155.1707 
1 1 1 -19 15 6  o 344.7811 72.71538 5.762276       1.914896  0.1480419E-04  3.624978  7.992592       2.255236  221.9048 107.1130 467.6574 98.37124 -245.7526      145.4308 
1 1 1 -19 15 7  o 358.9326 81.19021 6.591261       1.928959  7.333816       2.229213  4.378254       3.848387  439.5028 102.1308 278.3624 126.2406 161.1405       162.3804 
1 1 1 -19 15 8  o 200.2355 61.93453 0.1930087E-01  1.345137  2.631213       1.942149  -2.388783      1.864829  255.1777 101.1093 145.2933 71.55740 109.8845       123.8691 
1 1 1 -19 15 9  o 166.5201 55.32332 -0.3961958     1.169839  -0.5489953     1.531242  -0.1819836     1.813030  157.5620 74.22341 175.4782 82.05830 -17.91621      110.6466 
1 1 1 -19 15 10 o 221.5039 74.13395 -0.6268546     1.890800  6.420673       3.614313  -3.282360      2.218610  296.3199 128.9267 146.6879 73.22067 149.6319       148.2679 
1 1 1 -19 16 1  o 234.9042 77.10425 1.904333       2.125332  1.458177       4.134050  2.064617       2.477863  234.5746 113.5173 235.2339 104.3747 -0.6593323     154.2085 
1 1 1 -19 16 2  o 249.9001 71.26113 1.708958       1.550939  -0.6991742     2.035497  5.042154       2.394753  174.8248 83.29263 324.9754 115.6500 -150.1506      142.5223 
1 1 1 -19 16 3  f 197.4603 67.75755 -0.4460638     1.886768  0.2400994      2.044699  -4.380137      4.895950  191.9547 88.86697 202.9660 102.3084 -11.01131      135.5151 
1 1 1 -19 16 4  o 225.0759 71.09167 1.579648       1.643457  1.340340       2.200527  1.881492       2.471380  217.9778 97.43149 232.1740 103.5529 -14.19615      142.1833 
1 1 1 -19 16 5  o 317.6919 72.49477 4.271072       1.354545  4.603180       1.757218  3.784770       2.126373  345.5532 96.65761 289.8305 108.0707 55.72269       144.9895 
1 1 1 -19 16 6  o 262.8324 80.53803 2.150460       1.560319  1.042014       1.726724  7.084100       3.642919  202.1446 88.50293 323.5202 134.5835 -121.3756      161.0761 
1 1 1 -19 16 7  o 249.5901 101.3739 2.655504       2.002944  2.655504       2.002944  0.000000       0.000000  249.5901 101.3739 ?        ?        ?              ?        
1 1 1 -19 16 8  o 292.1058 85.06126 4.594835       1.880841  6.921207       3.573013  3.703101       2.212141  309.3237 131.2566 274.8879 108.2284 34.43576       170.1225 
1 1 1 -19 16 9  o 339.0307 76.19581 5.254971       1.478508  4.136855       1.944043  6.788997       2.277082  296.0794 104.3246 381.9819 111.0837 -85.90250      152.3916 
1 1 1 -19 17 1  o 317.8271 92.86268 4.984894       2.373663  14.00933       4.400747  1.282224       2.818862  420.2788 155.7162 215.3754 101.2244 204.9035       185.7254 
1 1 1 -19 17 2  o 189.4979 63.66840 -0.9495287     1.900389  -7.101835      3.416635  1.806504       2.286767  156.7723 79.68031 222.2235 99.32626 -65.45116      127.3368 
1 1 1 -19 17 3  o 259.0243 81.98533 3.349297       1.957085  2.675936       2.201991  5.881333       4.269988  244.2281 103.3043 273.8204 127.3365 -29.59233      163.9707 
1 1 1 -19 17 4  o 177.9420 62.94104 -1.219549      1.608910  -0.9503794     1.698150  -3.580484      5.029272  155.1286 74.48955 200.7554 101.4771 -45.62675      125.8821 
1 1 1 -19 17 5  o 318.8936 77.48454 5.153389       1.594385  5.426451       1.920127  4.547063       2.861234  360.8948 101.0706 276.8923 117.4740 84.00247       154.9691 
1 1 1 -19 17 6  o 253.9247 73.56572 3.193955       1.601146  3.877399       2.020390  2.039955       2.625345  283.8083 105.4381 224.0410 102.6181 59.76729       147.1314 
1 1 1 -19 17 7  o 150.2258 52.19669 -2.283800      1.372053  -0.1647359E-04 1.979915  -4.393849      1.903116  177.0255 83.69720 123.4261 62.39196 53.59941       104.3934 
1 1 1 -19 18 1  o 217.3140 104.1961 -0.8478482     2.608645  -5.834443      4.268603  2.124653       3.295678  ?        ?        217.3140 104.1961 ?              ?        
1 1 1 -19 18 2  o 267.2033 82.04432 3.631711       2.228646  9.387088       3.486161  -0.3460745     2.898219  347.0504 136.1121 187.3562 91.64375 159.6942       164.0886 
1 1 1 -19 18 3  o 207.5307 67.90159 1.515600       1.727914  2.110659       2.061331  0.1093435      3.168839  219.6593 96.42139 195.4021 95.63168 24.25716       135.8032 
1 1 1 -19 18 4  o 148.0545 70.30903 -0.5074869     1.427025  -0.5074869     1.427025  0.000000       0.000000  148.0545 70.30903 ?        ?        ?              ?        
1 1 1 -19 18 5  o 145.8036 70.18607 -0.8235462     1.530192  -0.8235462     1.530192  0.000000       0.000000  145.8036 70.18607 ?        ?        ?              ?        
1 1 1 -19 18 6  o 229.7264 69.27852 1.602275       1.514455  -0.8686543     1.916990  5.705190       2.470222  157.0882 76.32377 302.3646 115.6405 -145.2764      138.5570 
1 1 1 -18 0  1  o 111.5483 57.02602 -4.270547      2.378276  -4.270547      2.378276  -4.270547      2.378276  111.5483 80.64697 111.5483 80.64697 -0.000000      0.000000 
1 1 1 -18 0  2  o 254.3108 92.87012 2.669538       2.171687  2.669538       2.171687  2.669538       2.171687  254.3108 131.3382 254.3108 131.3382 0.000000       0.000000 
1 1 1 -18 0  3  o 532.2177 62.42555 8.025350       2.181947  8.025350       2.181947  8.025350       2.181947  532.2177 88.28306 532.2177 88.28306 0.000000       0.000000 
1 1 1 -18 0  4  o 333.2121 93.60500 4.171125       2.155523  4.171125       2.155523  4.171125       2.155523  333.2121 132.3775 333.2121 132.3775 -0.000000      0.000000 
1 1 1 -18 0  5  o 649.7655 60.28671 11.69610       2.670803  11.69610       2.670803  11.69610       2.670803  649.7655 85.25828 649.7655 85.25828 -0.000000      0.000000 
1 1 1 -18 0  6  o 169.8671 82.09872 -1.321941      3.137368  -1.321941      3.137368  -1.321941      3.137368  169.8671 116.1051 169.8671 116.1051 -0.000000      0.000000 
1 1 1 -18 0  7  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -18 0  8  o 685.5338 76.68873 13.74789       3.482158  13.74789       3.482158  13.74789       3.482158  685.5338 108.4542 685.5338 108.4542 -0.000000      0.000000 
1 1 1 -18 0  9  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -18 0  10 o 104.9123 51.30814 -0.9044768     1.312570  -0.9044768     1.312570  -0.9044768     1.312570  104.9123 72.56066 104.9123 72.56066 0.000000       0.000000 
1 1 1 -18 0  11 o 166.8251 71.43150 0.9400792      1.574598  0.9400792      1.574598  0.9400792      1.574598  166.8251 101.0194 166.8251 101.0194 -0.000000      0.000000 
1 1 1 -18 0  12 o 77.95943 39.84434 -2.043087      1.157318  -2.043087      1.157318  -2.043087      1.157318  77.95943 56.34841 77.95943 56.34841 0.000000       0.000000 
1 1 1 -18 0  13 o 572.5691 51.57677 9.380135       2.020758  9.380135       2.020758  9.380135       2.020758  572.5691 72.94057 572.5691 72.94057 -0.000000      0.000000 
1 1 1 -18 0  14 o 168.9999 74.08556 1.098402       1.787087  1.098402       1.787087  1.098402       1.787087  168.9999 104.7728 168.9999 104.7728 0.000000       0.000000 
1 1 1 -18 0  15 o 269.2323 92.82133 3.647183       2.107926  3.647183       2.107926  3.647183       2.107926  269.2323 131.2692 269.2323 131.2692 0.000000       0.000000 
1 1 1 -18 0  16 o 231.1624 97.47810 3.441208       2.843466  3.441208       2.843466  3.441208       2.843466  231.1624 137.8549 231.1624 137.8549 -0.000000      0.000000 
1 1 1 -18 1  1  o 328.2824 83.45942 2.885111       1.821674  1.752566       2.607176  3.965447       2.546372  290.9302 116.5329 365.6346 119.5073 -74.70441      166.9188 
1 1 1 -18 1  2  f 194.6941 63.33193 -1.195624      1.443620  -1.769703      2.028586  -0.6065901     2.054841  182.3150 85.74554 207.0733 93.22787 -24.75832      126.6639 
1 1 1 -18 1  3  o 502.8682 64.39662 7.143052       1.574863  7.024624       2.142426  7.282270       2.322889  500.0103 87.83897 505.7260 94.19138 -5.715637      128.7932 
1 1 1 -18 1  4  o 455.3006 80.05780 6.347988       1.802012  5.600721       3.026319  6.758480       2.242997  424.3755 129.2377 486.2256 94.52309 -61.85007      160.1156 
1 1 1 -18 1  5  o 231.9120 72.14474 -0.6783571     1.659349  -2.051646      2.138810  1.398043       2.629945  183.1963 86.72760 280.6276 115.3160 -97.43126      144.2895 
1 1 1 -18 1  6  o 318.3956 81.78062 2.746521       1.641894  2.697477       2.010342  2.844773       2.845428  309.8627 106.2717 326.9284 124.3326 -17.06567      163.5612 
1 1 1 -18 1  7  o 461.9285 84.74683 6.743185       2.054744  8.325927       2.813905  4.935247       3.007434  528.0482 108.8748 395.8087 129.9014 132.2395       169.4937 
1 1 1 -18 1  8  o 922.0275 56.13348 23.85889       2.364688  22.33962       4.199520  24.56424       2.861437  883.0813 95.45085 960.9736 59.10165 -77.89227      112.2670 
1 1 1 -18 1  9  o 365.1836 117.0649 4.142519       2.450613  0.000000       0.000000  4.142519       2.450613  ?        ?        365.1836 117.0649 ?              ?        
1 1 1 -18 1  10 o 417.9707 68.81451 5.334527       1.874607  -0.4683662     2.758288  10.31554       2.555500  235.9057 106.9420 600.0358 86.63226 -364.1301      137.6290 
1 1 1 -18 1  11 o 208.9286 65.54453 0.4305848E-01  1.280320  -0.1143091     2.367321  0.1081179      1.522141  225.4906 100.9038 192.3666 83.68246 33.12395       131.0891 
1 1 1 -18 1  12 o 297.0728 65.55634 2.579589       1.223994  4.151711       1.703929  0.9034804      1.759379  368.3728 91.71858 225.7727 93.69222 142.6001       131.1127 
1 1 1 -18 1  13 f 278.7706 68.32884 2.274558       1.215281  1.372857       1.648670  3.347492       1.798410  235.7297 93.23512 321.8114 99.91264 -86.08167      136.6577 
1 1 1 -18 1  14 o 310.4962 71.60429 3.208325       1.302156  2.847964       1.971688  3.487088       1.734149  294.4159 104.9210 326.5766 97.46943 -32.16071      143.2086 
1 1 1 -18 1  15 o 242.2641 70.76842 1.416900       1.426672  0.8874906      2.078334  1.888668       1.961931  228.3256 98.55143 256.2026 101.5888 -27.87694      141.5368 
1 1 1 -18 1  16 o 270.3539 79.34503 1.831322       1.946208  4.142205       2.731839  -0.5503044     2.773339  324.4352 122.1945 216.2726 101.2474 108.1626       158.6901 
1 1 1 -18 2  1  o 697.3088 72.25187 13.28241       2.366467  16.37159       4.125399  11.76736       2.889063  747.0544 112.5708 647.5634 90.60439 99.49103       144.5037 
1 1 1 -18 2  2  o 318.1295 83.73211 2.656937       1.779070  2.543774       2.861705  2.728225       2.271338  320.2269 123.9457 316.0320 112.6132 4.194916       167.4642 
1 1 1 -18 2  3  o 244.8086 75.22319 0.2932400      1.644092  0.2980302      1.999828  0.2832515      2.887819  226.8146 97.26952 262.8027 114.7726 -35.98808      150.4464 
1 1 1 -18 2  4  o 361.4345 71.40298 3.894067       1.437577  5.214642       1.937208  2.275503       2.144666  426.5352 92.38291 296.3338 108.8988 130.2014       142.8060 
1 1 1 -18 2  5  o 263.6948 78.09097 0.7723709      1.768179  -0.1421009     2.374789  1.910002       2.648748  232.0759 102.6152 295.3137 117.7409 -63.23779      156.1819 
1 1 1 -18 2  6  o 350.5892 77.16322 2.662427       1.557429  0.9371446      1.869750  6.572089       2.814641  239.4209 97.67315 461.7574 119.4847 -222.3366      154.3264 
1 1 1 -18 2  7  o 731.5400 58.76326 14.90337       1.966287  14.95074       2.380201  14.80158       3.489282  746.8193 63.55712 716.2607 98.85836 30.55853       117.5265 
1 1 1 -18 2  8  o 315.4881 100.0945 2.908018       1.795149  0.000000       0.000000  2.908018       1.795149  ?        ?        315.4881 100.0945 ?              ?        
1 1 1 -18 2  9  f 508.7421 67.40099 7.698775       1.619613  7.002950       2.606336  8.136502       2.067198  478.0996 109.9697 539.3847 77.96299 -61.28513      134.8020 
1 1 1 -18 2  10 o 363.5035 71.59731 3.502836       1.334943  2.318064       1.615699  6.051519       2.369740  284.0241 95.28351 442.9830 106.8913 -158.9589      143.1946 
1 1 1 -18 2  11 o 365.8080 64.77875 3.987740       1.194893  4.529739       1.783942  3.546720       1.609202  388.2122 92.14728 343.4038 91.07153 44.80847       129.5575 
1 1 1 -18 2  12 o 371.0357 77.25439 4.219364       1.499266  3.377593       1.852758  5.816216       2.551843  326.5244 101.4168 415.5470 116.5658 -89.02261      154.5088 
1 1 1 -18 2  13 o 462.3510 76.41592 7.818676       1.745694  5.184879       3.132901  9.004670       2.102310  368.7773 132.1674 555.9246 76.74212 -187.1474      152.8318 
1 1 1 -18 2  14 o 233.2249 70.84090 0.9506683      1.347406  1.342726       2.678398  0.8178315      1.559048  255.8066 111.1422 210.6431 87.87006 45.16344       141.6818 
1 1 1 -18 2  15 o 375.0809 68.35590 4.753343       1.332173  3.726024       2.036807  5.521348       1.761082  327.5569 106.8743 422.6049 85.25261 -95.04791      136.7118 
1 1 1 -18 2  16 o 597.7025 85.93018 13.22203       2.511282  11.63368       3.550183  14.81272       3.552797  545.2917 130.3657 650.1132 111.9855 -104.8214      171.8604 
1 1 1 -18 3  1  f 477.1435 81.97395 6.459418       1.869990  5.513667       2.271996  8.445584       3.292507  431.9598 104.9308 522.3271 125.9700 -90.36734      163.9479 
1 1 1 -18 3  2  o 345.7684 80.72027 3.456730       1.637617  3.053449       2.207321  3.950465       2.442353  327.3921 111.3629 364.1447 116.8817 -36.75262      161.4405 
1 1 1 -18 3  3  o 603.3873 58.41279 10.09741       1.734280  9.582247       2.467141  10.60064       2.438397  586.0482 85.68410 620.7265 79.41316 -34.67834      116.8256 
1 1 1 -18 3  4  o 306.4186 81.98138 2.300249       1.824708  3.402595       2.410282  0.8202175      2.792827  342.0445 116.3701 270.7928 115.5066 71.25171       163.9628 
1 1 1 -18 3  5  o 225.0316 70.54066 -0.1429217     1.561921  0.1560031      1.957446  -0.6668153     2.591374  220.0350 95.30624 230.0282 104.0224 -9.993256      141.0813 
1 1 1 -18 3  6  o 721.9957 68.20151 16.12538       2.092792  18.34401       2.551933  11.56890       3.657142  829.8038 61.17639 614.1876 121.9149 215.6161       136.4030 
1 1 1 -18 3  7  o 345.6051 77.02589 3.016528       1.623784  5.958974       2.577668  1.080686       2.090776  440.0212 114.5808 251.1889 102.9718 188.8323       154.0518 
1 1 1 -18 3  8  o 197.0853 86.52254 -0.7052240E-01 1.660242  0.000000       0.000000  -0.7052240E-01 1.660242  ?        ?        197.0853 86.52254 ?              ?        
1 1 1 -18 3  9  o 445.8506 78.53306 6.560496       2.035839  2.206865       3.062774  10.00672       2.724966  306.0446 124.9486 585.6567 95.17151 -279.6122      157.0661 
1 1 1 -18 3  10 o 404.4298 71.14734 5.337491       1.445269  6.110784       1.757503  3.722258       2.540048  464.6162 77.44282 344.2433 119.3750 120.3729       142.2947 
1 1 1 -18 3  11 o 171.9482 55.46367 -0.7260042     1.088183  -1.410149      1.543190  -0.4937448E-01 1.534691  156.0416 73.81144 187.8548 82.80547 -31.81320      110.9273 
1 1 1 -18 3  12 o 400.9219 65.89668 5.023287       1.345052  3.454749       1.899520  6.600674       1.904872  328.4054 102.8018 473.4385 82.46988 -145.0331      131.7934 
1 1 1 -18 3  13 o 256.0236 62.55533 1.715735       1.152903  3.272383       1.562011  -0.1471308     1.708755  322.0488 91.50124 189.9983 85.32410 132.0505       125.1107 
1 1 1 -18 3  14 o 167.3967 57.30286 -2.406925      1.439355  -3.173915      1.871010  -1.294905      2.252878  144.9801 71.45599 189.8133 89.60197 -44.83322      114.6057 
1 1 1 -18 3  15 o 201.7734 91.51527 -0.9622438E-01 2.023016  -0.9622438E-01 2.023016  0.000000       0.000000  201.7734 91.51527 ?        ?        ?              ?        
1 1 1 -18 3  16 o 283.1201 84.43256 2.791418       2.070436  2.737108       2.918739  2.846426       2.937428  281.7658 119.0448 284.4743 119.7655 -2.708496      168.8651 
1 1 1 -18 4  1  o 259.5131 74.58552 0.9748917      1.620679  2.224763       2.192579  -0.5304804     2.406270  294.3907 109.7463 224.6355 101.0334 69.75516       149.1710 
1 1 1 -18 4  2  o 231.9727 70.96138 -0.5957680E-01 1.636899  1.339014       2.016071  -2.765104      2.804055  258.6425 102.8467 205.3029 97.79894 53.33960       141.9228 
1 1 1 -18 4  3  o 320.4495 81.19422 2.840300       1.607336  2.952497       1.927243  2.583949       2.913148  320.4117 103.9304 320.4873 124.7737 -0.7559204E-01 162.3884 
1 1 1 -18 4  4  o 625.4827 69.05109 10.67509       2.058836  7.985702       2.621557  15.00343       3.325777  522.3050 102.8009 728.6603 92.21812 -206.3553      138.1022 
1 1 1 -18 4  5  o 383.6028 79.88029 4.616502       1.820518  6.356585       2.364539  2.083458       2.852876  463.5739 103.3822 303.6317 121.8013 159.9422       159.7606 
1 1 1 -18 4  6  f 407.1742 73.12302 4.860830       1.502700  4.177195       1.982100  5.784874       2.304410  374.5543 101.8433 439.7941 104.9565 -65.23981      146.2460 
1 1 1 -18 4  7  o 304.3053 68.77763 2.104122       1.496386  -0.9353395     2.157966  4.919205       2.076787  202.8660 92.96231 405.7446 101.3876 -202.8786      137.5553 
1 1 1 -18 4  8  o 402.7986 72.77344 4.683936       1.529595  6.991579       2.367094  3.029531       2.004251  485.5199 99.63938 320.0772 106.0938 165.4427       145.5469 
1 1 1 -18 4  9  o 350.9369 78.75882 3.107619       1.401722  5.745947       2.877284  2.286602       1.605072  418.9098 125.6687 282.9639 94.96944 135.9459       157.5176 
1 1 1 -18 4  10 o 211.8983 62.46210 -0.1365381     1.214964  -1.702146      1.615019  1.904762       1.844121  155.7168 74.18989 268.0799 100.5083 -112.3631      124.9242 
1 1 1 -18 4  11 o 250.2379 67.90263 1.583042       1.211154  1.836083       1.716202  1.331980       1.709478  260.1796 97.07476 240.2961 94.97137 19.88354       135.8053 
1 1 1 -18 4  12 o 298.1281 67.85119 2.721295       1.173487  2.139194       1.590747  3.416275       1.738154  268.1562 94.38253 328.1000 97.50421 -59.94379      135.7024 
1 1 1 -18 4  13 o 207.1208 62.28248 0.2491835      1.212241  1.625885       1.750654  -1.019012      1.680249  245.7852 96.43597 168.4563 78.84500 77.32896       124.5650 
1 1 1 -18 4  14 o 218.1381 65.23116 0.7587287      1.278327  -0.9752791E-01 1.857114  1.529756       1.762267  195.8772 88.36676 240.3991 95.97775 -44.52190      130.4623 
1 1 1 -18 4  15 o 248.1232 74.95062 1.463686       1.656504  1.662949       2.128133  1.157358       2.638631  249.6019 103.2682 246.6446 108.6557 2.957336       149.9012 
1 1 1 -18 4  16 o 227.7349 65.37070 1.157257       1.225059  2.369546       1.810197  0.1328667      1.664009  266.1208 99.61763 189.3490 84.67372 76.77185       130.7414 
1 1 1 -18 5  1  o 513.8064 84.40807 7.939253       2.120467  7.085642       2.725350  9.248688       3.375471  483.0841 113.3801 544.5287 125.0753 -61.44467      168.8161 
1 1 1 -18 5  2  o 528.3019 79.82165 8.381235       2.037822  8.267228       2.633058  8.551520       3.217975  531.7770 101.5047 524.8268 123.2184 6.950134       159.6433 
1 1 1 -18 5  3  o 295.5461 79.11823 2.235034       1.648145  2.869807       2.010288  0.9335688      2.878497  316.3527 106.2830 274.7394 117.2293 41.61322       158.2365 
1 1 1 -18 5  4  o 217.9940 69.14168 -0.3986402     1.563116  0.1057367E-02  1.985966  -1.049387      2.534032  216.6194 94.87546 219.3686 100.6029 -2.749176      138.2834 
1 1 1 -18 5  5  o 371.1807 70.86391 4.144688       1.433645  5.567650       1.976330  2.564250       2.082818  438.7260 91.92072 303.6355 107.8766 135.0905       141.7278 
1 1 1 -18 5  6  o 213.5509 66.39368 -0.4670037E-01 1.385611  0.9398085E-01  2.014747  -0.1729556     1.908654  219.5201 95.86803 207.5818 91.87930 11.93834       132.7874 
1 1 1 -18 5  7  o 303.1184 75.33143 2.501274       1.469838  3.553566       2.145532  1.570656       2.017683  342.7396 109.5008 263.4973 103.4836 79.24234       150.6629 
1 1 1 -18 5  8  o 205.0235 61.49618 0.9440386E-01  1.167897  1.191285       1.649428  -1.008424      1.653893  237.2294 93.43784 172.8175 79.97806 64.41193       122.9924 
1 1 1 -18 5  9  f 387.6777 73.15691 5.310303       1.637430  1.518526       3.084828  6.797712       1.932079  286.9264 121.8670 488.4290 80.97012 -201.5025      146.3138 
1 1 1 -18 5  10 o 341.2885 77.99297 3.622953       1.482418  3.543900       1.806310  3.786045       2.594470  339.5659 98.99066 343.0110 120.5507 -3.445038      155.9859 
1 1 1 -18 5  11 o 289.3100 74.90878 2.521971       1.435686  2.857905       1.780217  1.897027       2.428102  303.9085 99.95279 274.7115 111.6008 29.19702       149.8176 
1 1 1 -18 5  12 o 270.6551 69.81446 2.192947       1.241868  2.332592       1.805334  2.067517       1.710993  276.5690 100.1732 264.7412 97.27061 11.82779       139.6289 
1 1 1 -18 5  13 o 208.8700 64.10146 0.4819199      1.250343  0.7447456      1.874314  0.2711738      1.678372  219.2873 94.10799 198.4527 87.06134 20.83467       128.2029 
1 1 1 -18 5  14 o 263.1116 70.75207 2.127425       1.286325  2.075478       2.081645  2.159514       1.636072  263.2495 104.5604 262.9737 95.34439 0.2758789      141.5041 
1 1 1 -18 5  15 o 289.9397 80.85114 2.847330       1.710331  2.392181       2.181664  3.573127       2.754978  271.7758 107.3283 308.1036 120.9474 -36.32782      161.7023 
1 1 1 -18 5  16 o 213.1029 68.85528 0.2781081      1.406960  1.074754       2.953601  0.4427975E-01  1.600176  242.8360 110.3081 183.3699 82.43981 59.46614       137.7106 
1 1 1 -18 6  1  f 421.7521 94.17605 5.861074       2.186956  6.177600       2.562077  5.011285       4.198013  448.8691 112.8605 394.6352 150.7946 54.23389       188.3521 
1 1 1 -18 6  2  o 435.4402 116.2548 5.868657       2.610932  5.868657       2.610932  0.000000       0.000000  435.4402 116.2548 ?        ?        ?              ?        
1 1 1 -18 6  3  o 329.8542 83.23737 2.639314       1.824162  5.138678       2.890708  0.9854244      2.351488  402.3083 126.9509 257.4001 107.6908 144.9082       166.4747 
1 1 1 -18 6  4  o 414.5275 72.41769 5.073002       1.554745  7.025319       2.289910  3.403348       2.117661  491.2462 95.51334 337.8088 108.8783 153.4373       144.8354 
1 1 1 -18 6  5  o 465.0146 69.83293 6.958564       1.646113  3.340642       2.494735  9.748374       2.190696  335.5640 118.1866 594.4652 74.42094 -258.9012      139.6659 
1 1 1 -18 6  6  o 243.2599 70.87483 0.9804418      1.409479  1.092446       2.029333  0.8760532      1.959130  247.9330 101.5204 238.5867 98.92717 9.346268       141.7497 
1 1 1 -18 6  7  f 260.6713 71.06403 1.580264       1.314349  1.260481       1.726913  2.020545       2.026321  242.5247 95.58065 278.8180 105.1890 -36.29330      142.1281 
1 1 1 -18 6  8  f 190.4314 60.30942 -0.3352235     1.192933  -0.3524743     1.607222  -0.3140616     1.780119  185.2264 82.99559 195.6364 87.52505 -10.41000      120.6188 
1 1 1 -18 6  9  o 562.5174 73.51492 9.561160       1.785757  9.730579       3.456314  9.499466       2.085708  541.0635 128.1513 583.9713 72.07641 -42.90771      147.0298 
1 1 1 -18 6  10 o 205.0316 62.13302 0.3117631      1.168177  0.8472113      1.647325  -0.2298751     1.656820  220.9824 91.08944 189.0808 84.52671 31.90164       124.2660 
1 1 1 -18 6  11 o 427.7592 93.59473 5.638130       1.970569  5.638130       1.970569  0.000000       0.000000  427.7592 93.59473 ?        ?        ?              ?        
1 1 1 -18 6  12 o 239.7182 65.44041 1.327228       1.219657  0.4421324E-02  1.768651  2.526670       1.684161  196.3295 87.58121 283.1069 97.25903 -86.77745      130.8808 
1 1 1 -18 6  13 o 224.2050 65.15585 0.9700144      1.228548  1.907003       1.758750  0.7712110E-01  1.716866  254.3348 97.50352 194.0751 86.45345 60.25972       130.3117 
1 1 1 -18 6  14 o 182.2232 58.77527 -0.6985509     1.178042  0.7872908      1.914400  -1.604084      1.494509  219.2135 94.60169 145.2328 69.77572 73.98074       117.5505 
1 1 1 -18 6  15 o 208.5255 65.68565 -0.3271890E-01 1.527270  1.523100       1.962443  -2.422392      2.432130  239.4715 99.12909 177.5796 86.20815 61.89189       131.3713 
1 1 1 -18 6  16 f 198.6365 64.21174 -0.2215245     1.336342  1.396528       2.367934  -0.9776893     1.618756  236.9004 103.6823 160.3726 75.77973 76.52780       128.4235 
1 1 1 -18 7  1  o 543.5745 72.86082 8.847642       1.920115  6.718898       2.685177  11.07518       2.746775  465.0185 114.7570 622.1305 89.80888 -157.1120      145.7216 
1 1 1 -18 7  2  o 363.0388 90.15732 4.077454       2.024208  4.208126       3.235385  3.993404       2.594783  366.8600 133.9143 359.2176 120.7491 7.642365       180.3146 
1 1 1 -18 7  3  o 257.2178 77.88194 0.7324875      1.773303  1.144011       2.810779  0.4603868      2.285568  274.6373 116.4708 239.7984 103.4260 34.83890       155.7639 
1 1 1 -18 7  4  o 321.1909 119.4249 2.939781       2.593027  0.000000       0.000000  2.939781       2.593027  ?        ?        321.1909 119.4249 ?              ?        
1 1 1 -18 7  5  f 299.5386 78.22952 2.298111       1.722246  0.1846094      2.664907  3.813957       2.256879  246.8917 108.9576 352.1854 112.2839 -105.2937      156.4590 
1 1 1 -18 7  6  o 778.8020 58.51167 17.01903       2.199594  17.34965       3.569017  16.81654       2.793101  774.9418 92.81636 782.6622 71.27120 -7.720398      117.0233 
1 1 1 -18 7  7  o 326.3204 75.33643 3.230471       1.431734  3.105685       2.014273  3.357895       2.035450  320.8853 106.3585 331.7556 106.7248 -10.87030      150.6729 
1 1 1 -18 7  8  o 294.2418 71.98988 2.506744       1.303289  2.195550       1.758827  2.885681       1.940844  278.6993 99.11958 309.7842 104.4293 -31.08490      143.9798 
1 1 1 -18 7  9  o 385.0233 65.92061 4.570294       1.311925  3.074595       1.880054  5.989859       1.831579  315.9856 102.6589 454.0610 82.72393 -138.0755      131.8412 
1 1 1 -18 7  10 o 321.0516 81.95402 3.164909       1.568392  3.652299       3.122033  3.000387       1.813889  332.1937 129.2145 309.9096 100.8438 22.28415       163.9080 
1 1 1 -18 7  11 o 255.5837 69.70663 1.596085       1.454042  2.967998       1.812070  -0.8843742     2.436564  304.2139 100.8812 206.9535 96.22388 97.26035       139.4133 
1 1 1 -18 7  12 f 190.6014 60.75755 -0.1317408     1.229514  -0.3626252     1.907166  0.3246354E-01  1.608360  192.6089 87.93430 188.5939 83.86584 4.014938       121.5151 
1 1 1 -18 7  13 o 343.1013 70.81091 4.022045       1.336436  3.198331       1.942435  4.762462       1.841605  305.2023 104.4643 381.0003 95.62396 -75.79803      141.6218 
1 1 1 -18 7  14 f 309.5609 78.67304 3.191877       1.538206  2.266337       1.927200  4.816403       2.553246  265.9464 102.0397 353.1754 119.7735 -87.22903      157.3461 
1 1 1 -18 7  15 o 285.3472 77.92173 2.966520       1.607181  3.245543       2.071465  2.544537       2.547453  297.9170 107.3952 272.7773 112.9312 25.13965       155.8435 
1 1 1 -18 8  1  o 446.2802 88.72913 6.263416       2.049674  7.905887       3.322611  5.254393       2.604242  487.4973 131.5696 405.0631 119.0835 82.43417       177.4583 
1 1 1 -18 8  2  o 244.6125 71.54984 -0.3871551     1.800047  -5.294037      2.859446  2.833727       2.316683  176.4462 87.21899 312.7788 113.4476 -136.3326      143.0997 
1 1 1 -18 8  3  o 224.2151 72.18748 -0.7791049     1.836850  -2.897430      3.095207  0.3725113      2.282166  212.3402 101.5906 236.0899 102.5841 -23.74973      144.3750 
1 1 1 -18 8  4  o 217.4877 70.40536 -0.6986341     1.659654  -0.8397700     2.856945  -0.6267453     2.038985  233.1600 106.8882 201.8154 91.66553 31.34465       140.8107 
1 1 1 -18 8  5  o 341.2122 79.77309 3.294877       1.655343  5.323564       2.574663  1.865380       2.161247  407.3884 118.0180 275.0359 107.3627 132.3525       159.5462 
1 1 1 -18 8  6  o 534.7650 60.05903 8.225204       1.569640  8.453236       2.189480  7.984087       2.251429  544.6515 81.94144 524.8784 87.82908 19.77307       120.1181 
1 1 1 -18 8  7  o 697.5205 53.38855 13.65232       1.848691  14.17664       2.556541  13.07766       2.676468  714.9996 71.58766 680.0414 79.22472 34.95819       106.7771 
1 1 1 -18 8  8  o 336.5488 64.22002 2.925649       1.329614  0.4146207      1.754521  6.313117       2.037842  212.2490 91.06822 460.8486 90.57275 -248.5996      128.4400 
1 1 1 -18 8  9  o 294.9639 69.34234 2.652666       1.212408  2.487087       1.729964  2.812492       1.699646  287.3856 98.58166 302.5421 97.54536 -15.15656      138.6847 
1 1 1 -18 8  10 o 319.5374 81.61630 3.176547       1.539936  3.918345       3.104163  2.934395       1.773563  334.6302 129.2098 304.4446 99.74825 30.18552       163.2326 
1 1 1 -18 8  11 o 182.4555 59.82856 -1.062799      1.384658  0.1846709      1.748603  -3.160203      2.267344  199.6172 88.16867 165.2939 80.89569 34.32327       119.6571 
1 1 1 -18 8  12 o 260.7498 67.55599 1.585926       1.292844  3.826411       1.977195  -0.8748534E-01 1.708755  332.5946 104.9968 188.9050 85.03480 143.6896       135.1120 
1 1 1 -18 8  13 o 306.8796 70.37328 3.281328       1.369487  1.686761       2.110904  4.440287       1.799622  248.6758 102.8643 365.0833 96.06526 -116.4075      140.7466 
1 1 1 -18 8  14 o 275.4526 71.58201 2.467877       1.553739  4.060297       1.937200  -0.4038933     2.601480  338.5924 103.4617 212.3129 98.95255 126.2795       143.1640 
1 1 1 -18 8  15 o 239.6222 67.38772 1.763806       1.220896  1.790065       1.816099  1.742154       1.649162  241.3524 97.05264 237.8920 93.51579 3.460403       134.7754 
1 1 1 -18 9  1  o 541.3057 93.31424 10.48921       2.678137  13.44300       3.540160  6.536864       4.095062  661.4271 109.5546 421.1842 151.0893 240.2429       186.6285 
1 1 1 -18 9  2  o 356.7153 94.53036 3.580818       2.315663  1.855204       2.939182  6.404947       3.760080  290.9352 120.9460 422.4953 145.3135 -131.5601      189.0607 
1 1 1 -18 9  3  o 343.4438 98.37833 3.424605       2.564899  3.148638       3.163121  3.954430       4.382812  328.5763 129.4012 358.3113 148.2178 -29.73502      196.7567 
1 1 1 -18 9  4  o 520.3293 68.23750 8.019872       1.718850  6.072951       2.341338  10.29574       2.531416  442.8313 105.8689 597.8273 86.12320 -154.9960      136.4750 
1 1 1 -18 9  5  o 831.8322 50.37345 19.13749       2.100641  19.50816       2.976620  18.76972       2.964925  840.5126 70.60541 823.1517 71.86663 17.36084       100.7469 
1 1 1 -18 9  6  o 722.7354 72.12839 16.14195       2.307172  16.98368       2.806839  14.38851       4.051132  781.8633 71.70827 663.6074 125.1717 118.2559       144.2568 
1 1 1 -18 9  7  o 584.8953 57.33260 9.696848       1.634410  8.952701       2.132895  10.75537       2.543836  560.9619 77.14368 608.8286 84.83488 -47.86676      114.6652 
1 1 1 -18 9  8  o 409.9387 67.67835 5.068256       1.404942  3.475792       1.874907  7.107485       2.121671  331.8180 101.8503 488.0594 89.15128 -156.2414      135.3567 
1 1 1 -18 9  9  f 223.9880 64.98375 0.6502146      1.260942  2.027580       1.803443  -0.6671177     1.763703  265.8378 99.44733 182.1383 83.67664 83.69949       129.9675 
1 1 1 -18 9  10 o 561.9077 71.85571 8.427196       1.763460  14.74252       3.638405  6.488119       2.016093  665.6526 111.9368 458.1628 90.12833 207.4899       143.7114 
1 1 1 -18 9  11 o 314.7187 75.56696 2.600842       1.393176  1.268991       1.644545  5.986228       2.621936  227.7577 92.08400 401.6796 119.8415 -173.9218      151.1339 
1 1 1 -18 9  12 o 409.4948 62.23083 5.353072       1.282131  7.670629       1.876134  3.322311       1.756216  506.6955 75.43685 312.2940 98.99487 194.4016       124.4617 
1 1 1 -18 9  13 o 368.8110 69.82999 4.895868       1.378606  3.566081       2.228624  5.720120       1.754591  310.6190 111.4571 427.0031 84.15591 -116.3842      139.6600 
1 1 1 -18 9  14 o 338.6778 77.08116 3.936150       1.599445  2.013235       2.067053  6.805376       2.524957  253.1286 102.9166 424.2269 114.7789 -171.0983      154.1623 
1 1 1 -18 9  15 o 292.8281 72.74261 3.245961       1.353701  2.747335       1.955501  3.704783       1.875829  272.0975 103.1698 313.5586 102.5765 -41.46115      145.4852 
1 1 1 -18 10 1  f 342.7826 91.97178 3.307132       2.091300  2.144695       2.534063  5.789610       3.703184  287.4575 114.9774 398.1076 143.5808 -110.6501      183.9436 
1 1 1 -18 10 2  o 524.1760 93.93500 7.122061       2.330158  4.212983       2.661307  16.67801       4.823410  357.4888 122.2767 690.8632 142.6308 -333.3745      187.8700 
1 1 1 -18 10 3  o 306.6195 81.20869 2.777451       1.721300  3.293687       2.340261  2.169029       2.540638  324.6193 114.4543 288.6197 115.2372 35.99966       162.4174 
1 1 1 -18 10 4  o 317.3533 76.39868 2.905741       1.616501  4.794075       2.275895  0.9832302      2.296398  386.1930 110.6943 248.5136 105.3271 137.6794       152.7974 
1 1 1 -18 10 5  o 570.0668 61.09097 9.274738       1.687154  7.701432       2.212560  11.46046       2.607869  510.8045 88.77956 629.3291 83.94411 -118.5246      122.1819 
1 1 1 -18 10 6  o 603.5056 58.98623 10.63172       1.697736  13.48268       2.434634  7.933210       2.368649  694.7719 70.17814 512.2392 94.82895 182.5327       117.9725 
1 1 1 -18 10 7  f 679.2944 48.87569 12.90808       1.654416  12.01044       2.309724  13.85387       2.370868  653.1457 70.99328 705.4432 67.19588 -52.29749      97.75138 
1 1 1 -18 10 8  o 343.5897 84.07253 4.243291       1.875446  2.357192       3.480170  5.015197       2.226385  298.5206 128.1764 388.6588 108.8282 -90.13815      168.1451 
1 1 1 -18 10 9  o 725.7301 49.29173 15.01581       1.785924  14.26974       2.532898  15.75344       2.518520  705.0802 71.96585 746.3801 67.37666 -41.29987      98.58346 
1 1 1 -18 10 10 o 257.5326 80.65939 1.292269       2.041858  1.410510       3.301834  1.219051       2.598238  266.0250 119.0959 249.0402 108.8114 16.98479       161.3188 
1 1 1 -18 10 11 o 219.0314 64.41381 1.060854       1.182969  1.291040       1.571641  0.7599821      1.796822  224.5904 90.29444 213.4724 91.88836 11.11800       128.8276 
1 1 1 -18 10 12 o 276.3098 68.10093 2.666152       1.390514  3.821858       1.635691  -0.3456069     2.640510  338.4676 92.71907 214.1520 99.77034 124.3156       136.2019 
1 1 1 -18 10 13 o 424.0392 69.89971 6.044214       1.541080  9.236917       2.345799  3.620041       2.044059  535.0540 89.77845 313.0244 107.1621 222.0296       139.7994 
1 1 1 -18 10 14 o 349.1879 86.81070 5.367378       1.940756  5.839010       2.548785  4.716621       2.993925  376.3220 119.2553 322.0538 126.1846 54.26819       173.6214 
1 1 1 -18 11 1  o 334.0493 81.35828 3.626057       1.642837  3.561888       2.092832  3.729081       2.651799  332.6810 108.3238 335.4175 121.4192 -2.736481      162.7166 
1 1 1 -18 11 2  o 408.2421 85.81248 6.567724       2.148441  7.802605       2.408102  1.750136       4.756388  504.4917 97.81448 311.9925 141.0229 192.4993       171.6250 
1 1 1 -18 11 3  o 540.8285 91.83793 10.12625       2.132107  10.08366       2.378496  10.30046       4.810421  589.6603 81.88421 491.9968 164.4135 97.66351       183.6759 
1 1 1 -18 11 4  o 300.4597 77.82187 2.705688       1.604890  3.695689       2.217731  1.617216       2.325410  336.6824 111.6012 264.2369 108.4903 72.44543       155.6437 
1 1 1 -18 11 5  o 260.1546 69.96514 1.299711       1.407128  -0.4533495     1.899281  3.432796       2.095052  194.4360 88.37379 325.8732 108.4922 -131.4372      139.9303 
1 1 1 -18 11 6  o 205.5711 63.26571 0.3077330      1.231074  0.2800439      1.782334  0.3329946      1.702416  206.5584 90.18933 204.5837 88.74730 1.974670       126.5314 
1 1 1 -18 11 7  o 295.3775 71.78954 2.606341       1.299604  1.828429       1.683455  3.753778       2.044564  254.6010 95.91739 336.1540 106.8401 -81.55299      143.5791 
1 1 1 -18 11 8  o 504.7315 73.50493 8.284436       1.808965  8.793444       2.700553  7.870160       2.436327  515.7267 106.9399 493.7363 100.8750 21.99045       147.0099 
1 1 1 -18 11 9  o 219.0906 63.79751 0.7034933      1.257065  -0.9410692     1.851363  2.110259       1.712289  177.0295 82.82737 261.1516 97.05729 -84.12210      127.5950 
1 1 1 -18 11 10 o 342.3812 71.54019 4.793664       1.568703  0.6506832      3.520088  5.820348       1.752329  251.7754 116.5754 432.9870 82.95885 -181.2116      143.0804 
1 1 1 -18 11 11 o 228.4650 65.47349 1.230386       1.198982  0.4389881      1.597198  2.252116       1.814802  195.2060 85.30078 261.7241 99.35234 -66.51810      130.9470 
1 1 1 -18 11 12 o 165.9780 54.89876 -0.6961116     1.036057  -0.9439868     1.238262  -0.1175425     1.891794  140.3731 66.31377 191.5828 87.50988 -51.20970      109.7975 
1 1 1 -18 11 13 o 309.1743 81.15576 3.853160       1.683117  3.888954       2.132229  3.793983       2.741597  317.0112 109.4045 301.3373 119.8987 15.67386       162.3115 
1 1 1 -18 11 14 o 351.6186 83.33400 5.700277       1.930016  6.936241       2.462825  3.733248       3.106963  416.9430 113.5881 286.2943 121.9671 130.6487       166.6680 
1 1 1 -18 12 1  o 304.5613 83.64942 2.963526       1.897099  1.820907       3.080737  3.661473       2.407768  280.2836 120.4783 328.8391 116.0771 -48.55545      167.2988 
1 1 1 -18 12 2  o 186.4394 60.95811 -0.8786306     1.367710  -0.2810174     1.886178  -1.541281      1.986163  196.5319 88.82249 176.3468 83.51124 20.18507       121.9162 
1 1 1 -18 12 3  o 295.3266 86.96281 2.430269       1.878029  2.565486       2.056510  1.751143       4.608830  288.4218 106.5299 302.2313 137.4827 -13.80945      173.9256 
1 1 1 -18 12 4  o 478.5432 79.84346 9.441241       2.150253  11.87617       2.538450  3.255937       4.045815  636.7493 80.54511 320.3370 137.8855 316.4122       159.6869 
1 1 1 -18 12 5  o 284.9051 74.14313 2.408078       1.435095  1.530694       1.945533  3.455235       2.125442  248.2760 100.2349 321.5342 109.2784 -73.25818      148.2863 
1 1 1 -18 12 6  o 326.7501 69.87121 3.468057       1.248865  3.316722       1.678952  3.655500       1.868546  320.8057 95.94168 332.6945 101.6028 -11.88882      139.7424 
1 1 1 -18 12 7  o 251.1265 68.57490 1.813961       1.238794  1.974588       1.675202  1.620126       1.840243  256.6956 95.88191 245.5574 98.06490 11.13821       137.1498 
1 1 1 -18 12 8  o 390.3058 74.64465 5.534651       1.581313  3.941154       2.461926  6.653759       2.063173  325.0506 117.0919 455.5611 92.61089 -130.5105      149.2893 
1 1 1 -18 12 9  o 298.5366 68.35207 2.792681       1.350021  5.002663       1.958613  0.7923791      1.863382  381.8431 100.0958 215.2300 93.10664 166.6131       136.7041 
1 1 1 -18 12 10 o 341.0272 64.60445 3.752426       1.181962  2.405309       1.557631  5.581036       1.814773  268.1251 93.45278 413.9293 89.22733 -145.8041      129.2089 
1 1 1 -18 12 11 o 283.4615 70.32341 2.956816       1.630121  -2.224396      3.304868  4.622665       1.873942  204.7500 99.64987 362.1730 99.25438 -157.4230      140.6468 
1 1 1 -18 12 12 o 495.3025 84.95572 1.662611       1.647658  7.889333       2.053636  -9.586998      2.760339  495.3025 84.95572 ?        ?        ?              ?        
1 1 1 -18 12 13 o 174.9832 59.74210 -1.554972      1.550741  -1.607478      1.983100  -1.472331      2.487931  164.7211 79.44043 185.2453 89.25072 -20.52425      119.4842 
1 1 1 -18 12 14 o 323.0739 77.23975 4.209078       1.560601  6.546322       2.437455  2.585356       2.031610  390.1535 115.3513 255.9942 102.7522 134.1593       154.4795 
1 1 1 -18 13 1  o 201.7347 67.75729 -1.807423      1.798072  0.4553091E-05  2.902635  -2.932861      2.290460  234.7398 107.6592 168.7297 82.30246 66.01013       135.5146 
1 1 1 -18 13 2  o 329.9167 85.62591 4.156250       2.017773  1.098700       4.372423  4.983579       2.274439  281.3773 130.1557 378.4561 111.2955 -97.07877      171.2518 
1 1 1 -18 13 3  o 217.2718 72.81811 -0.9259308     1.666063  -1.296289      1.865229  0.5357528      3.705511  172.4317 81.43725 262.1119 120.7389 -89.68025      145.6362 
1 1 1 -18 13 4  o 323.3554 92.64773 2.769173       1.954288  1.625013       2.185317  7.338369       4.367077  252.7452 104.6139 393.9655 152.9390 -141.2203      185.2955 
1 1 1 -18 13 5  f 431.1149 72.02651 6.162287       1.576030  4.524869       2.155660  8.042606       2.310023  359.2928 108.9978 502.9371 94.18468 -143.6443      144.0530 
1 1 1 -18 13 6  o 298.6847 71.48624 2.990678       1.280394  2.671349       1.713521  3.394390       1.926665  284.1800 98.07590 313.1894 104.0300 -29.00943      142.9725 
1 1 1 -18 13 7  o 248.9254 65.15276 1.520293       1.246155  -0.2950120     1.745935  3.405420       1.779194  183.6804 83.96573 314.1704 99.64578 -130.4900      130.3055 
1 1 1 -18 13 8  o 211.4847 63.38479 0.7831967      1.211241  1.614468       1.712573  -0.4881388E-01 1.713334  236.3432 94.52509 186.6263 84.47208 49.71687       126.7696 
1 1 1 -18 13 9  o 310.0798 70.54549 3.438720       1.255325  3.429181       1.693953  3.450339       1.869614  312.3356 96.96710 307.8241 102.4892 4.511505       141.0910 
1 1 1 -18 13 10 o 234.4960 67.36321 1.550917       1.233945  1.086870       1.596633  2.239165       1.944448  212.4504 88.79880 256.5415 101.3212 -44.09114      134.7264 
1 1 1 -18 13 11 o 326.3979 86.88232 4.124972       1.722667  6.625149       3.608648  3.387065       1.960469  354.2241 138.6048 298.5718 104.7992 55.65222       173.7646 
1 1 1 -18 13 12 f 323.7457 115.7871 4.502131       2.403279  4.502131       2.403279  0.000000       0.000000  323.7457 115.7871 ?        ?        ?              ?        
1 1 1 -18 13 13 o 235.2417 72.42210 1.803418       1.652074  2.396182       2.122920  0.8931985      2.630666  250.4426 103.3398 220.0407 101.4925 30.40189       144.8442 
1 1 1 -18 14 1  o 233.9874 71.67518 -0.5086793     1.973030  -6.842682      3.218015  3.306602       2.497539  167.7560 84.35184 300.2188 115.9055 -132.4628      143.3504 
1 1 1 -18 14 2  o 358.0172 87.22707 2.477211       1.927830  11.55976       4.024199  -0.2280699     2.196250  512.3923 147.2890 203.6421 93.48912 308.7503       174.4541 
1 1 1 -18 14 3  o 220.9227 69.22731 0.4024701      1.521501  -0.4468295     1.975473  1.640935       2.385518  190.6394 87.93790 251.2061 106.9421 -60.56665      138.4546 
1 1 1 -18 14 4  o 291.4193 86.51674 2.938291       1.935519  2.956752       2.129934  2.850792       4.637073  289.5262 108.1209 293.3124 135.0942 -3.786224      173.0335 
1 1 1 -18 14 5  o 341.0605 72.87959 4.218516       1.387313  4.639802       1.790928  3.586437       2.193692  371.6615 94.86084 310.4594 110.6669 61.20209       145.7592 
1 1 1 -18 14 6  f 279.2912 68.95712 2.710044       1.275668  3.551371       1.687987  1.589625       1.947945  320.2039 96.29868 238.3785 98.72642 81.82544       137.9142 
1 1 1 -18 14 7  o 272.2776 67.55966 2.375332       1.313839  0.5209993      1.888748  4.113822       1.828800  205.2194 91.08839 339.3358 99.80048 -134.1163      135.1193 
1 1 1 -18 14 8  o 195.3218 61.42670 0.3974818      1.213359  0.3593031      1.845095  0.4265731      1.610606  198.4813 88.93080 192.1623 84.76006 6.318970       122.8534 
1 1 1 -18 14 9  o 263.2702 68.17627 2.404670       1.186580  1.983509       1.594978  2.926669       1.775683  244.2198 93.03683 282.3206 99.68031 -38.10086      136.3525 
1 1 1 -18 14 10 o 211.9118 63.59816 0.5198274      1.231138  -0.8071344     1.584343  2.542347       1.955989  160.4426 75.55586 263.3811 102.3241 -102.9385      127.1963 
1 1 1 -18 14 11 o 359.1877 75.21005 6.149364       1.828377  2.063953       3.766568  7.408796       2.091295  254.5213 118.7725 463.8542 92.30008 -209.3328      150.4201 
1 1 1 -18 14 12 o 254.9831 104.5277 2.572933       2.154446  2.572933       2.154446  0.000000       0.000000  254.9831 104.5277 ?        ?        ?              ?        
1 1 1 -18 15 1  o 253.3490 77.95470 1.956976       1.821786  2.395331       2.060128  0.3845410      3.901825  262.4277 104.0866 244.2703 116.0764 18.15746       155.9094 
1 1 1 -18 15 2  o 249.6873 82.40134 0.5200745      2.654408  3.233420       3.728807  -2.267558      3.779507  284.5915 127.0451 214.7832 104.9736 69.80829       164.8027 
1 1 1 -18 15 3  o 203.7257 69.06425 -1.209108      2.026968  -4.946058      4.041675  0.4665351E-01  2.342915  199.3547 99.39953 208.0967 95.91254 -8.742065      138.1285 
1 1 1 -18 15 4  o 231.2772 79.73624 -1.678019      2.805070  -3.682014      3.518481  1.817272       4.646740  195.3196 96.58561 267.2348 126.8964 -71.91513      159.4725 
1 1 1 -18 15 5  o 217.6015 90.12194 1.246060       1.623209  1.246060       1.623209  0.000000       0.000000  217.6015 90.12194 ?        ?        ?              ?        
1 1 1 -18 15 6  o 404.7029 69.72477 6.118609       1.504297  8.074717       2.061662  3.891488       2.199850  498.8420 84.66060 310.5638 110.8096 188.2782       139.4495 
1 1 1 -18 15 7  o 176.1701 57.88096 -0.7261356     1.302150  -2.256935      1.925027  0.5651301      1.768013  153.2834 74.91627 199.0569 88.25177 -45.77351      115.7619 
1 1 1 -18 15 8  o 301.2511 66.30933 3.230645       1.203966  1.877455       1.667363  4.704825       1.740308  237.6286 93.83320 364.8736 93.71787 -127.2450      132.6187 
1 1 1 -18 15 9  o 335.0226 70.32765 4.130373       1.311600  3.006766       1.757400  5.543172       1.970624  281.7140 99.19808 388.3311 99.71787 -106.6171      140.6553 
1 1 1 -18 15 10 o 445.1461 75.02023 7.595953       1.671859  6.919335       2.356287  8.281931       2.372528  417.0120 110.0165 473.2802 102.0221 -56.26816      150.0405 
1 1 1 -18 15 11 o 416.5508 128.8049 8.470791       2.992328  0.000000       0.000000  8.470791       2.992328  ?        ?        416.5508 128.8049 ?              ?        
1 1 1 -18 15 12 o 197.6834 97.26805 -1.284163      3.418665  -1.284163      3.418665  0.000000       0.000000  197.6834 97.26805 ?        ?        ?              ?        
1 1 1 -18 16 1  o 350.7705 68.59849 4.921285       1.612491  7.820020       2.143549  1.142680       2.447343  476.2284 92.23884 225.3127 101.5628 250.9157       137.1970 
1 1 1 -18 16 2  o 365.2913 76.50245 5.262745       1.611097  3.397599       2.187953  7.471834       2.381158  287.4191 109.0935 443.1636 107.2806 -155.7445      153.0049 
1 1 1 -18 16 3  o 293.2604 95.52705 5.051525       3.310222  5.794312       4.484752  4.162529       4.906324  305.5200 137.6229 281.0009 132.5202 24.51901       191.0541 
1 1 1 -18 16 4  o 186.0525 62.52143 -0.6501002     1.543371  0.4045528      1.676991  -6.488251      3.945605  190.3513 85.07116 181.7536 91.64397 8.597733       125.0429 
1 1 1 -18 16 5  f 239.1814 75.66964 0.1125456      1.355756  -0.9439727     1.472337  6.002584       3.476384  150.7411 71.53558 327.6217 133.3651 -176.8806      151.3393 
1 1 1 -18 16 6  o 224.3681 71.06078 1.187034       1.721754  -2.354640      3.873061  2.059328       1.922125  206.6875 102.0449 242.0487 98.92106 -35.36125      142.1216 
1 1 1 -18 16 7  o 231.1788 75.29507 1.080992       1.608718  3.114973       3.838156  0.6475171      1.771868  264.4441 122.1899 197.9136 88.01716 66.53052       150.5901 
1 1 1 -18 16 8  o 288.3921 72.09528 3.325039       1.331188  2.794535       1.892290  3.844797       1.873026  266.3338 101.3674 310.4505 102.5455 -44.11670      144.1906 
1 1 1 -18 16 9  o 183.9651 60.51994 -0.6739955E-01 1.342396  0.1879768      1.676054  -0.5243366     2.241950  181.8867 82.80422 186.0435 88.28427 -4.156784      121.0399 
1 1 1 -18 16 10 o 177.4981 60.23305 -0.8887292     1.567241  -0.6806385     2.178396  -1.112008      2.256494  179.4252 85.67258 175.5711 84.68936 3.854095       120.4661 
1 1 1 -18 16 11 o 319.9998 93.88380 6.929552       2.437584  9.002618       3.945701  5.650013       3.099876  339.6106 140.5696 300.3889 124.4864 39.22162       187.7676 
1 1 1 -18 17 1  o 260.7492 73.79217 2.797752       1.534050  3.741783       2.119423  1.758964       2.223248  291.7620 108.0707 229.7365 100.5079 62.02551       147.5843 
1 1 1 -18 17 2  o 173.3965 58.55938 -1.378137      1.570267  0.4428417      1.803860  -7.074924      3.190548  191.2923 86.62126 155.5007 78.82613 35.79163       117.1188 
1 1 1 -18 17 3  o 253.3288 83.16906 0.7082062      2.173635  8.050879       4.320587  -1.779950      2.515096  329.8288 142.2292 176.8287 86.25098 153.0002       166.3381 
1 1 1 -18 17 4  o 266.9958 85.53196 2.472497       1.987568  7.566824       4.518840  1.250555       2.213140  315.6238 140.4537 218.3678 97.65054 97.25609       171.0639 
1 1 1 -18 17 5  o 202.3576 67.08611 0.4727512      1.371592  0.5204030      1.480982  0.1854634      3.636374  183.5594 81.10556 221.1557 106.8835 -37.59630      134.1722 
1 1 1 -18 17 6  o 229.7798 70.32249 1.763893       1.484524  2.053841       2.322122  1.563484       1.930560  237.3902 103.3140 222.1694 95.43178 15.22078       140.6450 
1 1 1 -18 17 7  o 507.3731 83.14219 8.704877       2.061667  8.704877       2.061667  0.000000       0.000000  507.3731 83.14219 ?        ?        ?              ?        
1 1 1 -18 17 8  o 433.8823 92.94537 6.876371       1.980163  6.876371       1.980163  0.000000       0.000000  433.8823 92.94537 ?        ?        ?              ?        
1 1 1 -18 17 9  o 220.1031 72.26039 1.370765       1.836760  2.145613       3.200466  0.9902173      2.242899  233.4498 109.1220 206.7564 94.75574 26.69337       144.5208 
1 1 1 -18 17 10 o 208.4763 67.78279 1.113674       1.683131  2.330120       2.348633  -0.1706817     2.413299  230.6709 102.0186 186.2817 89.27621 44.38925       135.5656 
1 1 1 -18 18 1  o 180.7282 59.76321 -0.4267647     1.377959  -1.845940      1.856259  1.315199       2.056554  149.6504 73.23039 211.8060 94.46626 -62.15556      119.5264 
1 1 1 -18 18 2  o 207.7540 60.54283 0.4237101      1.338302  3.140136       1.735737  -3.558569      2.101603  274.2894 98.36909 141.2185 70.60637 133.0709       121.0857 
1 1 1 -18 18 3  o 211.9081 66.23125 0.4448287      1.468601  -1.605761      1.909157  3.416889       2.298429  155.3083 75.62029 268.5079 108.7561 -113.1995      132.4625 
1 1 1 -18 18 4  o 281.0157 107.8542 3.678664       2.153496  0.000000       0.000000  3.678664       2.153496  ?        ?        281.0157 107.8542 ?              ?        
1 1 1 -18 18 5  o 174.7009 80.28448 0.1185389      1.625307  0.1185389      1.625307  0.000000       0.000000  174.7009 80.28448 ?        ?        ?              ?        
1 1 1 -18 18 6  o 298.1933 86.74601 4.111652       1.878886  2.405754       2.178670  9.062515       3.711551  238.8943 101.9626 357.4924 140.3678 -118.5981      173.4920 
1 1 1 -18 18 7  o 208.9754 61.22600 1.321265       1.157523  2.410494       1.549516  -0.5406245E-01 1.741163  244.9961 92.07654 172.9546 80.72424 72.04147       122.4520 
1 1 1 -18 18 8  o 288.6538 70.64518 3.705766       1.256397  3.670996       1.697122  3.747931       1.868902  291.7334 97.65596 285.5742 102.1091 6.159119       141.2904 
1 1 1 -18 18 9  o 314.5265 81.47923 5.748088       1.822613  7.350541       2.534754  4.032614       2.622619  370.1365 119.1003 258.9165 111.2231 111.2200       162.9585 
1 1 1 -18 19 1  o 277.5372 72.39066 3.670430       1.641772  0.6847833      2.469017  6.036919       2.198149  198.2713 93.65759 356.8030 110.4078 -158.5317      144.7813 
1 1 1 -18 19 2  o 317.5674 68.28680 5.280255       1.684758  7.182028       1.992481  0.5098941      3.155662  430.5689 94.03810 204.5658 99.04133 226.0031       136.5736 
1 1 1 -18 19 3  o 187.2171 62.74912 -0.4695955     1.297098  -1.549621      1.491967  2.873727       2.625013  135.2727 66.07985 239.1616 106.6924 -103.8889      125.4982 
1 1 1 -18 19 4  f 234.2639 78.20265 2.072455       1.926998  6.549084       4.466905  1.048857       2.135974  267.9910 126.4035 200.5368 92.11290 67.45413       156.4053 
1 1 1 -18 19 5  o 246.6918 68.57339 2.705006       1.372565  3.961406       1.860793  1.205608       2.032791  291.7957 102.1183 201.5878 91.54832 90.20790       137.1468 
1 1 1 -18 19 6  o 218.3052 69.91643 1.901349       1.489645  1.829806       1.629218  2.266051       3.678438  214.9459 89.75898 221.6645 107.2220 -6.718613      139.8329 
1 1 1 -18 19 7  o 244.7634 66.29381 2.710897       1.148495  2.520452       1.584991  2.921435       1.666508  238.0826 92.21729 251.4442 95.26513 -13.36162      132.5876 
1 1 1 -18 20 1  o 195.0500 63.29728 1.302208       1.413327  1.233893       1.868921  1.393463       2.160027  192.5112 87.56283 197.5888 91.42721 -5.077591      126.5946 
1 1 1 -18 20 2  o 204.6205 63.81469 1.657411       1.390083  2.526061       1.738003  0.1151140      2.315859  230.0334 94.04340 179.2076 86.28497 50.82584       127.6294 
1 1 1 -18 20 3  o 373.8853 75.81190 7.001338       1.546798  7.327379       1.996576  6.511871       2.446312  417.0861 96.47327 330.6844 116.9730 86.40161       151.6238 
1 1 1 -18 20 4  o 239.3649 80.19215 2.906714       1.932372  10.81377       4.714379  1.309995       2.118514  283.3366 132.4403 195.3933 90.45817 87.94334       160.3843 
1 1 1 -18 20 5  o 217.2068 67.16203 2.260773       1.440812  3.330777       2.049478  1.215185       2.025959  243.1139 101.0245 191.2998 88.52679 51.81404       134.3241 
1 1 1 -17 0  1  o 576.3188 69.96375 9.400461       2.631514  9.400461       2.631514  9.400461       2.631514  576.3188 98.94368 576.3188 98.94368 -0.000000      0.000000 
1 1 1 -17 0  2  o 771.6795 48.51289 15.71368       2.631628  15.71368       2.631628  15.71368       2.631628  771.6795 68.60759 771.6795 68.60759 -0.000000      0.000000 
1 1 1 -17 0  3  o 667.9726 53.53279 11.98266       2.475376  11.98266       2.475376  11.98266       2.475376  667.9726 75.70679 667.9726 75.70679 -0.000000      0.000000 
1 1 1 -17 0  4  o 915.3115 63.33667 22.54150       4.059471  22.54150       4.059471  22.54150       4.059471  915.3115 89.57157 915.3115 89.57157 -0.000000      0.000000 
1 1 1 -17 0  5  o 163.6751 79.82914 -1.965497      3.125032  -1.965497      3.125032  -1.965497      3.125032  163.6751 112.8955 163.6751 112.8955 -0.000000      0.000000 
1 1 1 -17 0  6  o 157.0889 75.32693 -1.022712      2.534014  -1.022712      2.534014  -1.022712      2.534014  157.0889 106.5284 157.0889 106.5284 0.000000       0.000000 
1 1 1 -17 0  7  o 497.5797 98.31389 8.085258       3.030615  8.085258       3.030615  8.085258       3.030615  497.5797 139.0368 497.5797 139.0368 0.000000       0.000000 
1 1 1 -17 0  8  o 418.5818 69.22396 5.302326       1.803242  5.302326       1.803242  5.302326       1.803242  418.5818 97.89746 418.5818 97.89746 -0.000000      0.000000 
1 1 1 -17 0  9  o 285.0248 100.7067 3.462778       2.506337  3.462778       2.506337  3.462778       2.506337  285.0248 142.4208 285.0248 142.4208 0.000000       0.000000 
1 1 1 -17 0  10 o 670.7712 44.91069 12.04411       2.112434  12.04411       2.112434  12.04411       2.112434  670.7712 63.51331 670.7712 63.51331 -0.000000      0.000000 
1 1 1 -17 0  11 o 795.0153 60.31632 17.53177       3.333443  17.53177       3.333443  17.53177       3.333443  795.0153 85.30016 795.0153 85.30016 -0.000000      0.000000 
1 1 1 -17 0  12 o 581.4929 52.97638 9.431127       2.104947  9.431127       2.104947  9.431127       2.104947  581.4929 74.91991 581.4929 74.91991 -0.000000      0.000000 
1 1 1 -17 0  13 f 182.7539 74.10396 1.358345       1.539767  1.358345       1.539767  1.358345       1.539767  182.7539 104.7988 182.7539 104.7988 0.000000       0.000000 
1 1 1 -17 0  14 o 125.9109 60.14165 -0.3807132     1.584256  -0.3807132     1.584256  -0.3807132     1.584256  125.9109 85.05314 125.9109 85.05314 -0.000000      0.000000 
1 1 1 -17 0  15 o 133.7718 62.66236 0.4018780E-01  1.577471  0.4018780E-01  1.577471  0.4018780E-01  1.577471  133.7718 88.61796 133.7718 88.61796 -0.000000      0.000000 
1 1 1 -17 0  16 o 160.2811 72.33794 0.8267107      1.844789  0.8267107      1.844789  0.8267107      1.844789  160.2811 102.3013 160.2811 102.3013 0.000000       0.000000 
1 1 1 -17 0  17 o 85.99042 44.50105 -3.675880      1.727894  -3.675880      1.727894  -3.675880      1.727894  85.99042 62.93398 85.99042 62.93398 -0.000000      0.000000 
1 1 1 -17 1  1  o 377.0769 82.75443 4.035761       1.743680  4.287969       2.527797  3.806815       2.408404  386.9366 118.1764 367.2172 115.8772 19.71948       165.5089 
1 1 1 -17 1  2  o 435.8471 75.78696 6.284485       1.848175  1.409558       3.281498  8.549238       2.236652  309.5481 128.1653 562.1461 80.92166 -252.5980      151.5739 
1 1 1 -17 1  3  o 502.4141 82.14486 7.439351       2.056874  6.018127       3.065381  8.603311       2.774100  451.4193 128.1555 553.4089 102.7973 -101.9896      164.2897 
1 1 1 -17 1  4  o 878.1934 54.71614 20.10225       2.279778  19.07577       2.780296  22.20875       3.982865  851.3284 64.99872 905.0583 88.03743 -53.72992      109.4323 
1 1 1 -17 1  5  o 683.0181 53.78377 12.52833       1.825041  11.78023       2.575998  13.28227       2.586026  661.0851 78.50126 704.9511 73.54133 -43.86603      107.5675 
1 1 1 -17 1  6  o 283.1985 70.02595 2.008517       1.279828  2.778004       1.760886  1.146867       1.863357  316.1094 98.98363 250.2876 99.07964 65.82182       140.0519 
1 1 1 -17 1  7  o 341.5818 75.51694 3.326626       1.420177  3.431324       1.763518  3.133444       2.395487  346.8716 96.76157 336.2920 115.9674 10.57962       151.0339 
1 1 1 -17 1  8  o 724.9286 53.45209 14.15768       1.834848  14.01738       2.270264  14.42192       3.115741  727.1243 62.27225 722.7330 86.89460 4.391235       106.9042 
1 1 1 -17 1  9  f 214.7821 68.49570 -0.7211992     1.580388  -0.1113576     2.302599  -1.264342      2.173035  230.2278 101.4585 199.3363 92.04790 30.89149       136.9914 
1 1 1 -17 1  10 o 176.2196 78.62846 -0.3620797     1.426424  0.000000       0.000000  -0.3620797     1.426424  ?        ?        176.2196 78.62846 ?              ?        
1 1 1 -17 1  11 o 163.4980 54.30906 -1.982860      1.144217  -0.1803202     1.784556  -3.241222      1.491044  201.2258 88.96516 125.7702 62.31449 75.45558       108.6181 
1 1 1 -17 1  12 o 318.7828 63.10824 2.744293       1.159327  4.779784       1.747815  1.145189       1.549171  405.6163 87.67018 231.9493 90.79945 173.6670       126.2165 
1 1 1 -17 1  13 o 626.9598 49.17966 10.87728       1.534085  11.27322       2.186150  10.49316       2.153271  638.9583 68.65779 614.9613 70.43197 23.99695       98.35931 
1 1 1 -17 1  14 o 629.3323 50.70849 11.16261       1.573546  11.37092       2.383422  11.00165       2.095027  630.4515 76.22104 628.2130 66.90111 2.238586       101.4170 
1 1 1 -17 1  15 o 478.0159 65.52505 7.002654       1.522530  9.226118       2.265043  5.169932       2.056410  557.1235 82.82478 398.9084 101.5588 158.2152       131.0501 
1 1 1 -17 1  16 o 234.3811 67.49284 0.7183577      1.377088  -0.9961942     1.873415  2.733728       2.031123  178.5845 83.48000 290.1777 106.0765 -111.5932      134.9857 
1 1 1 -17 1  17 o 342.9365 82.51644 4.361308       1.729781  3.772246       2.460671  4.936788       2.432138  320.5504 116.8200 365.3227 116.5716 -44.77234      165.0329 
1 1 1 -17 2  1  o 452.3948 79.32517 6.475734       1.980058  8.961922       2.517956  2.446998       3.205277  571.1445 90.06423 333.6452 130.6077 237.4992       158.6503 
1 1 1 -17 2  2  o 262.4117 77.15248 0.7790949      1.598920  0.5755467      1.945252  1.203044       2.807366  236.2719 98.32186 288.5514 118.9236 -52.27950      154.3050 
1 1 1 -17 2  3  o 836.2610 45.11528 18.36983       1.893789  18.56673       2.744891  18.19097       2.616186  839.9524 65.05602 832.5695 62.52415 7.382874       90.23056 
1 1 1 -17 2  4  o 727.0890 49.69901 14.01740       1.804798  14.66245       2.624782  13.43892       2.485639  742.8766 70.64027 711.3013 69.92796 31.57532       99.39803 
1 1 1 -17 2  5  o 1086.684 42.99904 30.90936       2.353600  32.95749       3.384153  28.99065       3.275491  1122.227 59.77975 1051.141 61.82273 71.08582       85.99808 
1 1 1 -17 2  6  o 733.2468 47.74508 14.26696       1.746035  14.04349       2.363727  14.53534       2.590333  728.2548 64.78732 738.2388 70.14964 -9.984009      95.49015 
1 1 1 -17 2  7  o 367.1451 64.25304 3.902026       1.216961  4.925343       1.663719  2.724430       1.784733  421.7134 80.86777 312.5767 99.87100 109.1367       128.5061 
1 1 1 -17 2  8  f 253.9185 72.68687 1.158991       1.374928  1.437810       1.614674  0.4236022      2.622298  250.5788 94.02815 257.2583 110.8703 -6.679504      145.3737 
1 1 1 -17 2  9  o 261.5500 68.99336 0.7088717      1.263501  -0.5686336     1.526239  3.491314       2.252446  177.4720 80.08204 345.6281 112.3708 -168.1561      137.9867 
1 1 1 -17 2  10 o 208.6224 92.70761 -0.2822080     1.962061  0.000000       0.000000  -0.2822080     1.962061  ?        ?        208.6224 92.70761 ?              ?        
1 1 1 -17 2  11 o 466.1004 79.84048 6.746297       1.878358  5.630838       2.758520  7.710620       2.564841  422.2236 122.1140 509.9772 102.8892 -87.75354      159.6810 
1 1 1 -17 2  12 o 442.8615 74.35763 6.375260       1.585063  4.772528       2.877231  7.073616       1.899252  383.6431 127.1140 502.0800 77.18975 -118.4368      148.7153 
1 1 1 -17 2  13 o 530.1567 55.16765 7.981966       1.435887  8.265869       2.060105  7.713738       2.002424  539.7184 77.62810 520.5950 78.40764 19.12341       110.3353 
1 1 1 -17 2  14 o 196.9159 60.51340 0.1966954      1.136360  -0.3360368     1.703070  0.6242074      1.525641  187.2875 84.54501 206.5443 86.60041 -19.25679      121.0268 
1 1 1 -17 2  15 o 316.6025 72.34659 3.259817       1.327381  3.737334       1.920466  2.823034       1.836731  336.6154 103.0400 296.5896 101.5819 40.02576       144.6932 
1 1 1 -17 2  16 o 495.5361 66.93577 7.827446       1.606539  5.260058       2.231610  10.58945       2.314644  392.0214 108.6684 599.0508 78.18420 -207.0294      133.8715 
1 1 1 -17 2  17 o 273.0883 107.9941 2.376427       2.211623  0.000000       0.000000  2.376427       2.211623  ?        ?        273.0883 107.9941 ?              ?        
1 1 1 -17 3  1  f 451.1845 74.28007 5.826001       1.663052  5.985145       2.277845  5.644333       2.433705  459.6915 100.6641 442.6776 109.2559 17.01395       148.5601 
1 1 1 -17 3  2  o 354.2585 76.47761 3.415848       1.529303  2.357222       2.058535  4.719767       2.284611  303.4033 107.3045 405.1136 109.0002 -101.7104      152.9552 
1 1 1 -17 3  3  o 538.0057 57.48405 7.951328       1.482612  9.894195       2.110682  6.058993       2.083053  609.5087 69.65118 466.5027 91.46790 143.0060       114.9681 
1 1 1 -17 3  4  o 710.3137 50.97619 13.39005       1.802156  14.34932       2.680947  12.59926       2.434155  733.0396 73.21944 687.5880 70.94506 45.45160       101.9524 
1 1 1 -17 3  5  o 685.2795 50.30897 12.28011       1.683846  16.02849       2.572679  9.470979       2.227155  778.1799 65.92085 592.3792 76.01586 185.8008       100.6179 
1 1 1 -17 3  6  o 240.5168 59.62977 0.3994804      1.205877  3.048265       1.629509  -2.807173      1.792913  328.5223 93.49793 152.5113 74.03361 176.0111       119.2595 
1 1 1 -17 3  7  o 524.8798 56.69240 7.559557       1.457379  7.479774       2.014143  7.647231       2.111385  522.7209 78.53729 527.0386 81.78024 -4.317688      113.3848 
1 1 1 -17 3  8  o 955.3777 52.32941 25.24608       2.323612  26.58565       2.859077  22.63989       3.987917  1006.028 56.36165 904.7275 88.18636 101.3004       104.6588 
1 1 1 -17 3  9  o 581.0887 46.64774 9.109077       1.332071  10.61070       1.902434  7.664783       1.865767  631.4968 60.23552 530.6807 71.24416 100.8160       93.29549 
1 1 1 -17 3  10 o 920.8717 57.23648 22.44472       2.655223  0.000000       0.000000  22.44472       2.655223  ?        ?        920.8717 57.23648 ?              ?        
1 1 1 -17 3  11 o 337.5645 72.50746 3.500040       1.373840  4.059148       1.709950  2.481912       2.307474  372.5930 91.35184 302.5359 112.6240 70.05713       145.0149 
1 1 1 -17 3  12 o 318.3529 71.72394 3.067133       1.315282  3.452038       1.703697  2.499279       2.069348  339.8337 95.21543 296.8721 107.2908 42.96167       143.4479 
1 1 1 -17 3  13 o 299.0952 74.58930 2.256711       1.412616  1.136537       1.764123  4.258498       2.358277  235.9455 95.38054 362.2449 114.7031 -126.2994      149.1786 
1 1 1 -17 3  14 o 216.3653 65.58887 0.4474313      1.223480  1.274875       2.101323  0.2305608E-01  1.504868  246.5282 102.3565 186.2023 82.04116 60.32590       131.1777 
1 1 1 -17 3  15 o 217.8340 67.01666 0.3524608      1.466656  -2.028433      2.612185  1.448571       1.772397  195.1557 93.35809 240.5124 96.17276 -45.35661      134.0333 
1 1 1 -17 3  16 o 193.4197 61.68967 -0.3020315     1.280779  -1.003049      1.710470  0.5926502      1.932349  169.8395 79.51103 216.9999 94.34224 -47.16037      123.3793 
1 1 1 -17 3  17 o 288.9922 80.93629 2.897544       1.779407  2.228704       2.865694  3.317238       2.270049  273.5999 116.8613 304.3846 112.0097 -30.78464      161.8726 
1 1 1 -17 4  1  o 686.8603 54.04553 12.74095       1.828336  10.98486       2.592361  14.47899       2.579005  635.8383 82.47414 737.8823 69.86912 -102.0439      108.0911 
1 1 1 -17 4  2  o 710.5922 52.67733 13.39840       1.831471  10.46878       2.476556  16.93443       2.720824  621.5758 80.59658 799.6086 67.85127 -178.0328      105.3547 
1 1 1 -17 4  3  o 413.8492 67.35616 4.877922       1.487685  2.125861       2.078164  7.770679       2.130624  293.9328 107.3209 533.7657 81.42261 -239.8329      134.7123 
1 1 1 -17 4  4  o 791.0617 47.78310 16.50179       1.889800  18.06828       2.797031  15.18609       2.563388  825.6587 67.50379 756.4647 67.64714 69.19397       95.56619 
1 1 1 -17 4  5  o 545.0421 56.61647 8.025567       1.479080  10.59741       2.207785  5.931369       1.992250  629.0892 70.53497 460.9950 88.58055 168.0941       113.2329 
1 1 1 -17 4  6  o 843.2928 45.47606 19.05183       1.899794  21.02583       2.589293  16.75002       2.796030  895.1463 57.43835 791.4393 70.52038 103.7070       90.95212 
1 1 1 -17 4  7  o 365.5862 75.65061 3.708819       1.435227  3.184520       1.771626  4.709942       2.448081  333.4947 98.26939 397.6778 115.0443 -64.18314      151.3012 
1 1 1 -17 4  8  f 443.2738 69.59867 5.855359       1.480907  6.341319       1.856171  5.004312       2.456374  478.6348 79.38181 407.9128 114.3435 70.72208       139.1973 
1 1 1 -17 4  9  o 200.3068 61.86862 -0.6536172E-01 1.164698  0.2530758      1.840014  -0.2782445     1.504455  217.0652 93.20110 183.5484 81.39078 33.51682       123.7372 
1 1 1 -17 4  10 o 658.0933 99.98431 12.57910       3.226404  0.000000       0.000000  12.57910       3.226404  ?        ?        658.0933 99.98431 ?              ?        
1 1 1 -17 4  11 o 686.8498 45.42496 12.74322       1.561190  12.66915       2.212741  12.81663       2.203003  684.6047 64.60596 689.0948 63.87313 -4.490112      90.84991 
1 1 1 -17 4  12 o 409.2007 68.78178 4.929239       1.369829  4.552278       1.728614  5.565522       2.245822  393.3185 88.90034 425.0829 104.9784 -31.76440      137.5636 
1 1 1 -17 4  13 o 356.2280 65.72964 3.780280       1.178150  4.381732       1.880142  3.391422       1.511770  376.4056 97.78069 336.0503 87.86626 40.35535       131.4593 
1 1 1 -17 4  14 o 331.3572 69.18216 3.414250       1.239734  4.259079       1.899369  2.787180       1.636376  364.2103 99.97209 298.5041 95.65702 65.70621       138.3643 
1 1 1 -17 4  15 o 336.6634 79.90220 3.617509       1.505112  2.964048       1.799840  5.137250       2.744789  301.6342 100.5648 371.6926 124.1940 -70.05832      159.8044 
1 1 1 -17 4  16 o 313.1538 102.5113 3.295346       1.873331  3.295346       1.873331  0.000000       0.000000  313.1538 102.5113 ?        ?        ?              ?        
1 1 1 -17 4  17 o 373.3929 79.77704 5.311647       1.639524  4.608545       3.018129  5.605986       1.952775  334.5587 127.8545 412.2271 95.45010 -77.66840      159.5541 
1 1 1 -17 5  1  o 223.8799 71.17476 -0.8065347     1.724725  0.7164202      1.943934  -6.439812      3.738682  239.0677 98.78661 208.6920 102.4919 30.37567       142.3495 
1 1 1 -17 5  2  f 788.7974 65.11771 15.39618       2.261569  13.56813       2.592517  21.21645       4.625918  711.7294 72.98094 865.8654 107.8659 -154.1360      130.2354 
1 1 1 -17 5  3  o 457.6891 67.06194 5.943751       1.501602  6.478798       2.083220  5.365128       2.166393  482.5238 88.54002 432.8545 100.7466 49.66928       134.1239 
1 1 1 -17 5  4  o 506.0528 63.38079 7.194270       1.530092  6.826381       2.406786  7.443816       1.982234  489.1247 100.5525 522.9808 77.18615 -33.85614      126.7616 
1 1 1 -17 5  5  o 554.8967 56.81390 8.431952       1.548700  8.224793       2.204177  8.633935       2.176472  547.1680 82.10227 562.6254 78.55249 -15.45734      113.6278 
1 1 1 -17 5  6  o 291.4182 76.62327 2.068707       1.415690  2.085765       1.672812  2.025659       2.657486  280.7865 96.90395 302.0499 118.7187 -21.26340      153.2465 
1 1 1 -17 5  7  o 364.0925 73.51579 3.506556       1.410836  2.385510       1.754619  5.557039       2.373008  294.9150 99.29360 433.2700 108.4392 -138.3549      147.0316 
1 1 1 -17 5  8  o 610.7291 49.59154 10.09188       1.494264  8.743511       2.075452  11.54302       2.153103  565.5925 74.27726 655.8657 65.72802 -90.27319      99.18308 
1 1 1 -17 5  9  o 238.2455 67.49391 1.035007       1.215399  1.242498       1.927463  0.8980480      1.565968  251.3879 100.3722 225.1031 90.26147 26.28477       134.9878 
1 1 1 -17 5  10 o 401.0951 71.70036 5.400562       1.451005  2.909798       2.831522  6.287572       1.689733  324.8618 123.9129 477.3285 72.17592 -152.4667      143.4007 
1 1 1 -17 5  11 o 340.6849 76.25208 3.455970       1.377823  3.517533       2.680225  3.433857       1.606326  340.1502 122.2107 341.2197 91.22540 -1.069519      152.5042 
1 1 1 -17 5  12 o 206.0774 64.37721 -0.1175222     1.265699  -0.5127208     1.578486  0.5941344      2.118207  178.7300 80.97247 233.4248 100.1057 -54.69479      128.7544 
1 1 1 -17 5  13 o 230.9031 64.89975 1.178129       1.099763  1.282355       1.843880  1.120579       1.370151  241.4528 97.54578 220.3534 85.63137 21.09946       129.7995 
1 1 1 -17 5  14 o 429.3751 66.29597 5.760103       1.400217  5.622369       2.014715  5.888789       1.947411  421.8350 96.43915 436.9153 90.99512 -15.08035      132.5919 
1 1 1 -17 5  15 o 348.1107 71.25051 4.021688       1.327334  4.028789       1.855815  4.014251       1.899203  349.1337 99.92379 347.0877 101.5962 2.046051       142.5010 
1 1 1 -17 5  16 o 290.0184 73.34491 2.598881       1.365392  1.715846       1.757344  3.943885       2.168851  246.4403 96.64291 333.5965 110.3542 -87.15616      146.6898 
1 1 1 -17 5  17 o 212.9258 63.39277 0.4925410      1.332278  -1.991932      2.137230  2.071554       1.703833  170.6248 82.33223 255.2267 96.41563 -84.60185      126.7855 
1 1 1 -17 6  1  o 851.9492 64.43366 20.53934       2.509188  21.56840       3.076164  18.49342       4.337455  900.3957 67.98389 803.5026 109.4759 96.89307       128.8673 
1 1 1 -17 6  2  f 357.7193 93.32827 2.458324       2.018523  1.218516       2.322567  6.285570       4.080696  268.6544 109.1453 446.7841 151.4199 -178.1297      186.6565 
1 1 1 -17 6  3  o 534.0789 78.21112 8.612453       1.883954  9.099921       2.245669  7.454183       3.461605  577.6557 78.84729 490.5021 135.0963 87.15359       156.4222 
1 1 1 -17 6  4  o 561.8686 58.40845 8.656570       1.609026  9.296795       2.356059  8.096986       2.202688  581.7465 82.29237 541.9907 82.91051 39.75574       116.8169 
1 1 1 -17 6  5  o 251.4617 71.06864 1.164572       1.300279  1.192680       1.570774  1.103378       2.317660  238.9601 92.01295 263.9633 108.3357 -25.00325      142.1373 
1 1 1 -17 6  6  o 566.8269 60.92329 8.534146       1.638952  7.398693       2.030172  10.65895       2.777201  517.7888 80.02602 615.8650 91.88268 -98.07617      121.8466 
1 1 1 -17 6  7  o 857.9258 60.40554 19.51378       2.606929  19.51378       2.606929  0.000000       0.000000  857.9258 60.40554 ?        ?        ?              ?        
1 1 1 -17 6  8  o 826.9397 49.16280 18.08805       1.976233  20.00591       3.278972  16.99397       2.476579  855.4581 76.51834 798.4213 61.74843 57.03687       98.32561 
1 1 1 -17 6  9  f 587.7016 72.18714 9.463522       2.102675  0.000000       0.000000  9.463522       2.102675  ?        ?        587.7016 72.18714 ?              ?        
1 1 1 -17 6  10 o 434.8234 56.26092 5.333850       1.189497  6.170043       1.722537  4.571637       1.644574  470.5890 74.80424 399.0579 84.05647 71.53110       112.5218 
1 1 1 -17 6  11 o 534.3047 73.12348 10.02183       1.677124  5.663041       3.176057  11.70717       1.974918  409.3449 133.4523 659.2646 59.82191 -249.9197      146.2470 
1 1 1 -17 6  12 o 267.5485 72.98441 1.863186       1.372176  2.000708       1.701088  1.607025       2.321651  267.9844 97.21130 267.1126 108.8892 0.8717957      145.9688 
1 1 1 -17 6  13 o 263.5306 68.87100 1.951013       1.197946  2.211903       1.889721  1.775731       1.548949  274.9196 102.0040 252.1417 92.56374 22.77789       137.7420 
1 1 1 -17 6  14 o 291.6503 63.61360 2.510741       1.280411  -0.1342770     1.934985  4.571057       1.707774  200.2334 90.27836 383.0671 89.64697 -182.8337      127.2272 
1 1 1 -17 6  15 o 361.4715 69.74713 4.343234       1.331589  3.574404       1.904338  5.078777       1.862658  325.1068 103.0881 397.8363 93.97604 -72.72955      139.4943 
1 1 1 -17 6  16 o 198.8075 63.99815 -0.1723736     1.416067  -0.6655362E-02 2.019595  -0.3326353     1.986068  202.9923 91.81089 194.6227 89.18416 8.369522       127.9963 
1 1 1 -17 6  17 o 280.6712 81.52516 2.751978       1.701014  2.657210       3.841091  2.775098       1.897188  280.5266 126.7713 280.8158 102.5399 -0.2891541     163.0503 
1 1 1 -17 7  1  o 385.5637 78.07904 4.423216       1.608760  4.815626       2.159076  3.933416       2.412167  405.5290 104.5080 365.5984 116.0320 39.93063       156.1581 
1 1 1 -17 7  2  o 307.3496 89.94527 0.8252790      1.961231  -0.1600797     2.223464  4.279103       4.162776  226.3061 99.71660 388.3931 149.7238 -162.0870      179.8905 
1 1 1 -17 7  3  o 550.1819 81.54650 8.263447       2.015934  7.285277       2.361367  10.89249       3.871281  505.8708 95.70750 594.4932 132.0583 -88.62241      163.0930 
1 1 1 -17 7  4  o 591.5815 71.07262 9.482082       1.950678  8.384585       2.363366  11.82776       3.455122  547.4122 88.28019 635.7509 111.4086 -88.33868      142.1452 
1 1 1 -17 7  5  o 261.8717 73.09232 1.361184       1.400546  1.146718       1.791096  1.698675       2.246832  244.8246 97.06902 278.9189 109.3049 -34.09430      146.1846 
1 1 1 -17 7  6  o 373.1775 74.07909 3.914927       1.410571  3.321771       1.751352  5.010226       2.379880  338.3509 97.13945 408.0041 111.8694 -69.65320      148.1582 
1 1 1 -17 7  7  o 216.7608 63.49571 0.5865003      1.148024  0.9270765      1.537159  0.1569221      1.726366  225.1926 89.72266 208.3291 89.87025 16.86351       126.9914 
1 1 1 -17 7  8  o 312.1777 71.17178 2.782383       1.364054  1.432536       2.014312  3.925672       1.853798  260.0473 102.9921 364.3081 98.25638 -104.2608      142.3436 
1 1 1 -17 7  9  o 380.1457 62.69118 4.174252       1.222280  2.605682       1.674165  5.964660       1.788638  300.1978 96.81368 460.0936 79.67339 -159.8958      125.3824 
1 1 1 -17 7  10 o 591.2405 51.65779 9.946088       1.446123  7.458004       2.119528  12.11309       1.978047  510.4996 84.99744 671.9813 58.73284 -161.4818      103.3156 
1 1 1 -17 7  11 o 440.3340 73.77451 6.280536       1.497599  5.212103       2.937405  6.655803       1.740846  393.3211 128.3460 487.3468 72.78749 -94.02567      147.5490 
1 1 1 -17 7  12 o 308.9587 75.20037 3.004814       1.435167  3.375178       1.793264  2.344969       2.393594  328.9610 99.32925 288.9565 112.9340 40.00443       150.4007 
1 1 1 -17 7  13 o 238.6861 64.32372 1.421326       1.165282  0.5403871E-01  1.871466  2.287082       1.489189  203.3821 90.45276 273.9900 91.47929 -70.60791      128.6474 
1 1 1 -17 7  14 o 229.7497 58.60476 -0.2800722     1.117473  3.715930       1.818810  -2.703198      1.416323  335.0371 99.78073 124.4623 61.49697 210.5748       117.2095 
1 1 1 -17 7  15 o 287.9561 70.74271 2.714222       1.305302  1.855829       1.881669  3.510439       1.812241  253.2002 99.77670 322.7120 100.3132 -69.51186      141.4854 
1 1 1 -17 7  16 o 293.3080 77.06268 2.970729       1.526802  2.382592       2.048992  3.704976       2.289405  270.0001 104.7749 316.6158 113.0347 -46.61572      154.1254 
1 1 1 -17 7  17 o 291.3099 78.06267 3.341133       1.776645  0.9460319      3.090655  4.523190       2.171241  240.3679 110.5539 342.2520 110.2405 -101.8841      156.1253 
1 1 1 -17 8  1  o 829.5147 71.88148 19.69910       2.954020  19.03261       4.163188  20.37492       4.192192  813.6575 103.4001 845.3719 99.88097 -31.71436      143.7630 
1 1 1 -17 8  2  o 436.9474 83.02939 5.359349       2.320818  0.3212842      3.245925  10.62864       3.319578  275.5866 120.9827 598.3082 113.7484 -322.7216      166.0588 
1 1 1 -17 8  3  o 147.6732 73.26020 -4.551119      2.085861  -4.551119      2.085861  0.000000       0.000000  147.6732 73.26020 ?        ?        ?              ?        
1 1 1 -17 8  4  o 450.2371 103.4624 5.965524       2.308852  5.965524       2.308852  0.000000       0.000000  450.2371 103.4624 ?        ?        ?              ?        
1 1 1 -17 8  5  o 669.6929 84.58742 13.47471       2.733932  17.21604       4.020843  10.25778       3.728424  768.9603 106.1100 570.4254 131.7603 198.5349       169.1748 
1 1 1 -17 8  6  o 628.5972 53.29382 10.84742       1.662034  10.96926       2.348433  10.72515       2.352515  632.5414 74.78095 624.6530 75.95219 7.888428       106.5876 
1 1 1 -17 8  7  o 323.7733 76.76524 3.059390       1.479217  2.954905       2.009413  3.182991       2.185524  318.6117 106.2601 328.9349 110.8170 -10.32324      153.5305 
1 1 1 -17 8  8  o 750.4841 52.05730 15.36854       1.917947  16.04255       3.024297  14.91509       2.480576  759.1077 79.89249 741.8605 66.76107 17.24719       104.1146 
1 1 1 -17 8  9  o 755.5239 45.03048 15.42469       1.705934  15.67470       2.446073  15.18793       2.380377  761.2284 64.06600 749.8194 63.29712 11.40900       90.06097 
1 1 1 -17 8  10 o 369.9888 66.04142 4.101501       1.258515  5.129191       1.801029  3.120858       1.759321  418.3776 87.82738 321.6000 98.65205 96.77753       132.0828 
1 1 1 -17 8  11 o 298.5246 78.18199 2.409077       1.419468  3.342042       2.794325  2.084598       1.647923  326.5747 123.4478 270.4745 95.97044 56.10022       156.3640 
1 1 1 -17 8  12 o 379.2848 76.37394 4.931328       1.616086  6.013066       2.089006  3.318958       2.550415  439.9440 96.44956 318.6255 118.4458 121.3185       152.7479 
1 1 1 -17 8  13 o 431.4701 60.49469 5.640539       1.272660  6.334886       1.875059  5.047448       1.732955  457.8987 83.97866 405.0416 87.09772 52.85709       120.9894 
1 1 1 -17 8  14 o 254.9547 67.27889 1.916721       1.127246  2.156394       1.912809  1.789198       1.395272  264.9059 101.6538 245.0036 88.16061 19.90230       134.5578 
1 1 1 -17 8  15 o 180.3368 58.21249 -0.6404170     1.255003  -2.457638      1.998639  0.5425355      1.612553  159.2945 77.51959 201.3790 86.86476 -42.08450      116.4250 
1 1 1 -17 8  16 o 487.3076 75.99315 8.361500       1.827389  7.508375       2.552139  9.259049       2.617746  454.6740 111.6808 519.9411 103.0884 -65.26706      151.9863 
1 1 1 -17 9  1  o 469.0994 84.83457 7.091732       2.556281  0.4848450      3.857764  12.26356       3.413179  294.2094 130.4031 643.9894 108.5479 -349.7801      169.6691 
1 1 1 -17 9  2  o 288.4053 89.41083 0.6435910      2.501362  0.1628679      3.717989  1.041099       3.380908  284.8279 127.0268 291.9828 125.8625 -7.154907      178.8217 
1 1 1 -17 9  3  o 274.4781 77.70191 1.572988       1.634190  1.738657       2.171798  1.356760       2.481165  275.8734 107.6424 273.0828 112.0868 2.790558       155.4038 
1 1 1 -17 9  4  o 196.0992 88.35052 -0.5401130     1.849328  -0.5401130     1.849328  0.000000       0.000000  196.0992 88.35052 ?        ?        ?              ?        
1 1 1 -17 9  5  o 303.4492 72.69867 2.315341       1.431043  4.137615       2.124420  0.8015912      1.936246  370.2992 107.1830 236.5993 98.24551 133.6999       145.3973 
1 1 1 -17 9  6  o 302.7809 76.96840 2.250640       1.790087  4.279792       2.234284  -1.386745      2.991408  374.0715 110.3947 231.4902 107.2826 142.5813       153.9368 
1 1 1 -17 9  7  o 244.0655 68.31954 1.078350       1.288279  0.2288246      1.765914  2.044855       1.883577  210.5773 90.86682 277.5537 102.0464 -66.97643      136.6391 
1 1 1 -17 9  8  o 384.8694 68.62986 4.472151       1.337722  4.779784       1.801755  4.094266       1.996912  403.4265 90.45010 366.3124 103.2425 37.11411       137.2597 
1 1 1 -17 9  9  o 341.3198 73.97662 3.785078       1.538442  4.960449       1.894334  1.508018       2.636672  407.6182 93.74979 275.0213 114.4602 132.5968       147.9532 
1 1 1 -17 9  10 o 214.9652 61.85881 0.6118195      1.132188  -0.5952384     1.682024  1.611762       1.530931  181.9696 82.88435 247.9609 91.84897 -65.99132      123.7176 
1 1 1 -17 9  11 o 263.2089 74.71071 1.716823       1.410650  1.461731       2.790321  1.804404       1.634974  270.5002 115.4201 255.9176 94.89442 14.58264       149.4214 
1 1 1 -17 9  12 o 214.7349 62.81148 -0.2538380     1.330706  2.417340       1.875346  -2.962694      1.888526  279.8530 101.9845 149.6169 73.35044 130.2361       125.6230 
1 1 1 -17 9  13 o 238.4703 59.83327 1.023458       1.189124  -1.961661      1.812281  3.280262       1.575766  158.0349 76.14885 318.9058 92.31161 -160.8709      119.6665 
1 1 1 -17 9  14 o 218.8090 64.95157 0.9483452      1.237878  0.3000376      1.885963  1.439045       1.640781  205.0526 91.01746 232.5653 92.68575 -27.51268      129.9031 
1 1 1 -17 9  15 o 309.8477 80.06846 3.560714       1.635771  3.529928       2.276875  3.593554       2.351593  309.2370 112.4220 310.4583 114.0401 -1.221313      160.1369 
1 1 1 -17 9  16 o 216.8432 69.90659 0.2964816      1.664511  -0.2900913     2.161616  1.150934       2.608924  196.7647 91.19200 236.9216 105.9799 -40.15694      139.8132 
1 1 1 -17 10 1  o 574.3514 80.75124 9.733173       2.109377  11.05254       3.851671  9.167938       2.521049  583.9663 133.2254 564.7365 91.29099 19.22980       161.5025 
1 1 1 -17 10 2  o 670.2875 77.98351 12.64709       2.409743  16.18746       4.344074  11.07344       2.896196  722.1103 123.2491 618.4646 95.57909 103.6457       155.9670 
1 1 1 -17 10 3  o 252.4884 79.10194 0.1355131      1.766893  1.007460       3.479207  -0.1675204     2.051070  290.6645 126.4802 214.3123 95.03281 76.35213       158.2039 
1 1 1 -17 10 4  o 460.8225 113.9008 6.577259       2.642122  6.577259       2.642122  0.000000       0.000000  460.8225 113.9008 ?        ?        ?              ?        
1 1 1 -17 10 5  o 237.0114 108.6829 -0.9052796     2.956401  0.000000       0.000000  -0.9052796     2.956401  ?        ?        237.0114 108.6829 ?              ?        
1 1 1 -17 10 6  o 324.2844 66.97108 3.029022       1.368591  0.5956587      2.020462  5.092095       1.860391  231.7315 98.53014 416.8373 90.73211 -185.1057      133.9422 
1 1 1 -17 10 7  o 714.2997 52.46682 14.02795       1.840261  14.89409       2.894924  13.44060       2.383919  727.9121 79.86728 700.6873 68.06091 27.22485       104.9336 
1 1 1 -17 10 8  o 405.8503 69.20535 5.043769       1.410985  5.606472       1.923069  4.387607       2.076636  436.0442 90.09280 375.6564 105.0753 60.38785       138.4107 
1 1 1 -17 10 9  o 580.3941 51.59221 9.339681       1.470932  10.95930       2.206222  8.043614       1.973589  627.3142 70.70016 533.4740 75.15657 93.84021       103.1844 
1 1 1 -17 10 10 o 581.1626 50.41712 9.472568       1.447442  8.574306       1.983843  10.49506       2.116584  550.1406 73.03296 612.1846 69.52503 -62.04401      100.8342 
1 1 1 -17 10 11 o 342.8396 67.32665 4.375391       1.509727  -0.4118642     3.027243  5.960226       1.741791  235.7293 108.7796 449.9500 79.36313 -214.2207      134.6533 
1 1 1 -17 10 12 o 354.4018 72.30914 4.287853       1.398262  3.471059       2.109771  4.927656       1.867247  317.6526 108.8704 391.1511 95.19292 -73.49847      144.6183 
1 1 1 -17 10 13 o 183.1584 61.07293 -1.438230      1.474565  -2.603508      1.983922  0.6819131E-04  2.204115  156.7136 76.47565 209.6032 95.24223 -52.88960      122.1459 
1 1 1 -17 10 14 o 331.5517 66.76772 3.946778       1.397095  1.218353       2.214638  5.750368       1.800593  236.4124 101.8875 426.6911 86.31721 -190.2787      133.5354 
1 1 1 -17 10 15 o 283.3218 79.08314 2.922055       1.700372  3.446129       2.293650  2.282598       2.533590  301.5373 112.2794 265.1063 111.3997 36.43103       158.1663 
1 1 1 -17 10 16 o 210.3841 66.58295 0.5684621      1.440055  1.346217       2.227162  0.9695031E-02  1.887756  230.2529 100.6687 190.5153 87.17207 39.73758       133.1659 
1 1 1 -17 11 1  o 504.7291 77.22057 9.167841       2.047863  3.373906       3.374611  12.54530       2.576509  339.4102 133.6606 670.0480 77.37515 -330.6378      154.4411 
1 1 1 -17 11 2  o 610.4401 92.23178 10.81789       2.761532  0.000000       0.000000  10.81789       2.761532  ?        ?        610.4401 92.23178 ?              ?        
1 1 1 -17 11 3  o 246.6640 104.1097 0.8638399      2.228716  0.000000       0.000000  0.8638399      2.228716  ?        ?        246.6640 104.1097 ?              ?        
1 1 1 -17 11 4  o 394.7598 83.67870 4.939362       1.789968  5.491746       2.744487  4.530457       2.361302  410.7420 122.6251 378.7775 113.8929 31.96445       167.3574 
1 1 1 -17 11 5  o 397.6183 77.35622 5.122468       2.120308  8.900139       2.716044  -0.7720847     3.392737  543.2437 102.5133 251.9928 115.8748 291.2508       154.7124 
1 1 1 -17 11 6  o 266.9200 70.70800 1.851983       1.290949  1.532360       1.761612  2.222732       1.897283  251.9197 97.31918 281.9202 102.6034 -30.00050      141.4160 
1 1 1 -17 11 7  o 313.2818 69.61639 3.001431       1.258788  3.565164       1.681889  2.283492       1.898036  343.2495 94.01530 283.3142 102.6981 59.93530       139.2328 
1 1 1 -17 11 8  o 272.1364 69.38434 2.090346       1.231759  1.727635       1.752750  2.444270       1.731388  257.1203 97.63078 287.1524 98.61530 -30.03210      138.7687 
1 1 1 -17 11 9  o 317.7822 66.57967 3.087390       1.294621  1.153704       1.894912  4.780097       1.772911  238.4582 97.92361 397.1062 90.23510 -158.6480      133.1593 
1 1 1 -17 11 10 o 274.7176 63.07042 1.868328       1.110923  0.4177608      1.445039  3.964632       1.737152  194.8632 83.10130 354.5720 94.89828 -159.7089      126.1408 
1 1 1 -17 11 11 o 234.9737 69.44200 1.206580       1.308600  1.284747       1.556711  1.018292       2.416049  227.6358 90.41885 242.3116 105.4192 -14.67578      138.8840 
1 1 1 -17 11 12 o 225.0652 65.47455 1.060936       1.262939  -0.4561202E-01 1.894304  1.946349       1.694485  197.0526 89.03973 253.0779 96.01871 -56.02530      130.9491 
1 1 1 -17 11 13 o 367.8060 76.32156 4.826795       1.547641  3.654753       2.108716  6.195198       2.278524  316.6690 108.8273 418.9431 107.0352 -102.2741      152.6431 
1 1 1 -17 11 14 o 172.7878 56.72795 -0.5925367     1.185906  -1.250850      1.914499  -0.1826816     1.510615  171.3343 81.38563 174.2412 79.04823 -2.906906      113.4559 
1 1 1 -17 11 15 o 219.7952 68.57337 0.7890838      1.561740  1.753631       1.975847  -0.8168259     2.549483  240.4703 99.49862 199.1201 94.38884 41.35025       137.1467 
1 1 1 -17 12 1  o 932.4637 60.21622 25.57124       2.623294  22.26352       4.328906  27.49088       3.297797  861.1247 101.2269 1003.803 65.24629 -142.6780      120.4324 
1 1 1 -17 12 2  o 476.8205 77.49444 6.904038       1.778660  8.159518       2.963379  6.197046       2.223770  502.7261 118.3880 450.9148 100.0292 51.81131       154.9889 
1 1 1 -17 12 3  o 429.5205 113.8344 5.921064       2.515233  0.000000       0.000000  5.921064       2.515233  ?        ?        429.5205 113.8344 ?              ?        
1 1 1 -17 12 4  o 315.5653 104.5575 3.043595       1.946697  0.000000       0.000000  3.043595       1.946697  ?        ?        315.5653 104.5575 ?              ?        
1 1 1 -17 12 5  f 809.1541 65.30963 19.40107       2.292199  19.76017       2.709206  18.49642       4.300080  851.5221 63.29631 766.7861 114.2583 84.73596       130.6193 
1 1 1 -17 12 6  o 396.6590 65.92731 4.836102       1.312109  5.638236       1.798353  3.923025       1.918692  439.0606 83.96337 354.2574 101.6651 84.80322       131.8546 
1 1 1 -17 12 7  o 186.0013 58.69396 -0.2852516     1.140212  0.3018433      1.608732  -0.8778843     1.616302  201.1134 86.75596 170.8891 79.07797 30.22432       117.3879 
1 1 1 -17 12 8  o 647.4889 51.52992 11.93977       1.627974  14.22629       2.316195  9.707301       2.288658  716.8936 64.50784 578.0843 80.37455 138.8093       103.0598 
1 1 1 -17 12 9  o 294.6256 67.35069 2.759530       1.177961  3.286602       1.542718  2.022557       1.824221  324.7684 90.46824 264.4828 99.79960 60.28558       134.7014 
1 1 1 -17 12 10 o 307.3979 66.89578 3.090489       1.224467  4.154148       1.655134  1.804542       1.819883  362.2734 90.50462 252.5224 98.53475 109.7510       133.7916 
1 1 1 -17 12 11 o 317.3007 81.04998 3.187598       1.546762  5.459665       2.897678  2.282237       1.829156  367.6105 127.5008 266.9908 100.0997 100.6197       162.1000 
1 1 1 -17 12 12 o 410.1438 82.60897 6.168028       1.688974  7.046883       3.235682  5.838890       1.980143  401.2813 134.8394 419.0063 95.47404 -17.72498      165.2179 
1 1 1 -17 12 13 o 214.6414 68.32391 0.4205370E-01  1.596289  -1.375633      2.153898  1.769565       2.377637  179.2543 85.47962 250.0286 106.6108 -70.77435      136.6478 
1 1 1 -17 12 14 o 247.5536 67.20274 1.878637       1.322680  0.9771545E-01  2.085403  3.077247       1.710829  201.3254 91.92843 293.7818 98.05097 -92.45647      134.4055 
1 1 1 -17 12 15 o 331.7386 81.56876 4.743810       1.679952  4.809609       2.189888  4.649706       2.618874  343.5010 110.7202 319.9761 119.8119 23.52490       163.1375 
1 1 1 -17 13 1  o 258.8279 72.07637 1.216886       1.582403  3.112261       2.103917  -1.251829      2.401134  314.8313 108.6744 202.8245 94.70953 112.0068       144.1527 
1 1 1 -17 13 2  o 222.0580 68.35590 0.2610084      1.470281  1.087195       2.043501  -0.6257038     2.117031  242.0469 100.7538 202.0692 92.40561 39.97769       136.7118 
1 1 1 -17 13 3  o 238.3993 80.98799 -2.983187      2.819604  -4.038711      3.800714  -1.691230      4.204895  219.9518 107.0059 256.8468 121.5975 -36.89502      161.9760 
1 1 1 -17 13 4  o 871.8373 70.97128 23.76612       2.580114  20.96850       4.921155  24.82666       3.029941  791.6602 127.0842 952.0144 63.22426 -160.3542      141.9426 
1 1 1 -17 13 5  o 428.1985 75.62135 6.914173       1.681067  8.067705       1.926717  3.235928       3.440516  533.0342 73.33932 323.3629 132.2713 209.6713       151.2427 
1 1 1 -17 13 6  o 189.4542 64.21944 -1.512648      1.288731  -1.791519      1.430621  -0.3122938     2.968094  140.6906 67.75871 238.2179 109.1114 -97.52727      128.4389 
1 1 1 -17 13 7  o 200.0956 60.94159 0.3410584      1.130618  -0.1021740     1.644372  0.7384762      1.557069  189.4041 84.47316 210.7871 87.86237 -21.38304      121.8832 
1 1 1 -17 13 8  o 278.7944 71.80636 2.409114       1.314481  2.403634       1.847826  2.414727       1.870293  278.5211 101.2739 279.0678 101.8244 -0.5467224     143.6127 
1 1 1 -17 13 9  o 289.7474 70.67702 2.708823       1.233505  2.562845       1.564123  2.948958       2.006104  282.9226 93.72101 296.5723 105.8175 -13.64963      141.3540 
1 1 1 -17 13 10 o 288.7825 66.07471 2.756191       1.257185  4.140982       1.662610  0.9072635      1.921136  356.0617 91.68128 221.5032 95.17357 134.5586       132.1494 
1 1 1 -17 13 11 o 230.3530 72.94946 0.5431748      1.508199  2.429719       3.047400  -0.6881385E-01 1.735672  273.3904 118.6663 187.3157 84.88111 86.07472       145.8989 
1 1 1 -17 13 12 o 291.6618 80.13612 3.084366       1.580212  3.785951       3.055779  2.828266       1.846233  301.2104 124.0994 282.1132 101.4225 19.09726       160.2722 
1 1 1 -17 13 13 o 223.5343 66.66788 0.9343437      1.388499  -0.6354234     1.981349  2.449201       1.946387  182.8687 85.59953 264.2000 102.2309 -81.33128      133.3358 
1 1 1 -17 13 14 o 208.5059 66.58847 0.5339193      1.459161  0.1964294      1.869582  1.059885       2.333956  193.0630 87.72289 223.9488 100.2038 -30.88582      133.1769 
1 1 1 -17 14 1  o 424.9299 74.04005 5.846408       1.577332  5.825844       2.124537  5.871665       2.354515  428.6200 99.77381 421.2399 109.4208 7.380157       148.0801 
1 1 1 -17 14 2  o 419.4305 70.97971 5.618083       1.501728  6.666802       2.131557  4.584561       2.116055  465.3957 93.70900 373.4653 106.6354 91.93036       141.9594 
1 1 1 -17 14 3  o 304.5741 77.06519 2.962914       1.494910  3.013146       1.934562  2.888463       2.355209  307.0790 104.2565 302.0691 113.5198 5.009888       154.1304 
1 1 1 -17 14 4  o 316.2354 82.86086 3.418276       1.923731  0.3615571      3.807645  4.465945       2.229158  268.2477 123.1297 364.2231 110.9178 -95.97537      165.7217 
1 1 1 -17 14 5  o 274.5959 58.91978 1.995074       1.211622  4.256208       1.559330  -1.450146      1.924790  374.9266 84.20847 174.2654 82.43237 200.6612       117.8396 
1 1 1 -17 14 6  o 483.4337 73.10623 9.065553       1.719686  11.05520       2.048617  4.318503       3.164352  626.6621 65.54163 340.2052 130.6996 286.4569       146.2125 
1 1 1 -17 14 7  o 309.1184 64.43808 3.129520       1.283847  0.6734347      1.995687  4.863623       1.676904  221.2953 96.04231 396.9415 85.93566 -175.6462      128.8762 
1 1 1 -17 14 8  o 191.3660 57.73656 0.2320933      1.011584  -0.5702827     1.340214  1.294460       1.542135  157.4094 72.54726 225.3225 89.83840 -67.91312      115.4731 
1 1 1 -17 14 9  o 222.5014 64.86157 1.206956       1.166895  1.390554       1.453352  0.8738880      1.957503  224.7768 87.95899 220.2261 95.34836 4.550659       129.7231 
1 1 1 -17 14 10 o 298.8385 72.05265 2.847415       1.399681  5.166343       2.183069  1.228770       1.823895  373.1276 108.8405 224.5494 94.44622 148.5782       144.1053 
1 1 1 -17 14 11 o 271.5103 73.97643 2.418249       1.456204  3.928248       2.264427  1.353436       1.901545  315.0939 112.4244 227.9266 96.18112 87.16731       147.9529 
1 1 1 -17 14 12 o 217.3616 94.05834 1.034689       1.902871  0.000000       0.000000  1.034689       1.902871  ?        ?        217.3616 94.05834 ?              ?        
1 1 1 -17 14 13 o 238.5991 74.58981 1.613893       1.787066  0.9350138      2.849536  2.053999       2.294333  229.9974 105.9210 247.2008 105.0491 -17.20337      149.1796 
1 1 1 -17 14 14 o 272.8974 72.55713 2.227830       1.593815  -0.5237655     2.111357  5.872903       2.430091  182.7023 86.39629 363.0926 116.5926 -180.3904      145.1143 
1 1 1 -17 15 1  o 326.6993 91.00273 2.929424       2.429534  -0.3682542     3.191602  7.473407       3.746476  236.6624 110.0675 416.7363 144.9522 -180.0738      182.0055 
1 1 1 -17 15 2  o 258.8497 78.87453 1.513452       1.816109  -0.1565472E-04 3.651903  2.010735       2.093314  253.4495 117.8290 264.2499 104.8861 -10.80037      157.7491 
1 1 1 -17 15 3  o 223.1258 69.48605 0.5317258      1.493124  0.4399661      1.910081  0.6758926      2.394189  212.3924 93.03408 233.8592 103.2371 -21.46680      138.9721 
1 1 1 -17 15 4  o 206.6887 69.74985 -1.077910      1.764693  -3.490911      3.979620  -0.4873025     1.968848  220.8131 107.8777 192.5643 88.44533 28.24884       139.4997 
1 1 1 -17 15 5  o 347.3483 92.13418 3.797187       2.564612  9.005719       3.812737  -0.5066968     3.465848  455.4024 146.0219 239.2943 112.3940 216.1081       184.2684 
1 1 1 -17 15 6  o 538.5208 71.55219 6.831646       1.740880  3.326002       1.975955  18.99145       3.680073  309.3169 105.3643 767.7247 96.83611 -458.4078      143.1044 
1 1 1 -17 15 7  o 177.6108 56.60801 -0.3816576     1.084414  0.7387549      1.660233  -1.215330      1.432114  207.4824 88.79322 147.7392 70.23981 59.74323       113.2160 
1 1 1 -17 15 8  o 214.5385 63.12312 1.016045       1.115211  0.6872861      1.442211  1.504969       1.758777  196.4337 83.37426 232.6434 94.79899 -36.20973      126.2462 
1 1 1 -17 15 9  o 245.3560 71.09598 1.852031       1.423816  1.341719       2.043161  2.333824       1.985248  230.2003 98.50857 260.5117 102.5408 -30.31134      142.1920 
1 1 1 -17 15 10 o 370.9515 83.03958 5.888041       1.788539  5.234155       3.123001  6.207176       2.181767  330.5242 129.0488 411.3789 104.5404 -80.85468      166.0792 
1 1 1 -17 15 11 o 517.1498 78.17325 10.08564       1.975231  10.40557       2.650572  9.686085       2.962118  543.7578 99.96696 490.5419 120.2116 53.21585       156.3465 
1 1 1 -17 15 12 o 319.9526 89.50486 5.023158       2.120540  5.754877       3.339813  4.528944       2.744781  328.5586 131.7916 311.3466 121.1423 17.21198       179.0097 
1 1 1 -17 15 13 o 190.4678 62.72750 -0.1873596     1.512114  0.8348471      2.059142  -1.383761      2.227694  207.5182 93.38641 173.4173 83.77312 34.10092       125.4550 
1 1 1 -17 16 1  o 306.0083 76.16787 3.373621       1.467102  3.519640       1.923710  3.170627       2.268175  315.6478 103.9073 296.3688 111.3977 19.27896       152.3357 
1 1 1 -17 16 2  o 205.7519 67.47987 -0.5252882     1.719153  0.7959769      1.942146  -5.308205      3.695161  218.3506 94.75475 193.1533 96.10239 25.19724       134.9597 
1 1 1 -17 16 3  o 275.5509 72.22420 2.621411       1.646240  3.922275       1.810420  -3.590698      3.956243  337.7410 99.28810 213.3607 104.9153 124.3803       144.4484 
1 1 1 -17 16 4  o 492.5159 86.82050 10.49747       2.129893  8.031503       4.563151  11.18437       2.408333  381.4142 153.6761 603.6177 80.83850 -222.2036      173.6410 
1 1 1 -17 16 5  o 334.8639 81.99586 4.736057       1.816018  2.628023       3.994817  5.285172       2.038869  281.8742 128.1356 387.8535 102.3453 -105.9792      163.9917 
1 1 1 -17 16 6  o 212.9160 70.45996 -0.2552927     1.587148  -0.7538576     1.818370  1.339650       3.252326  174.8596 81.89917 250.9725 114.6776 -76.11293      140.9199 
1 1 1 -17 16 7  o 164.4975 52.75253 -0.4116176     1.003418  0.5465930      1.350039  -1.594289      1.499850  186.2388 79.89550 142.7562 68.90592 43.48254       105.5051 
1 1 1 -17 16 8  o 433.0524 72.90028 6.631183       1.520824  6.136062       1.882833  7.560584       2.579633  427.3817 89.86942 438.7231 114.8098 -11.34134      145.8006 
1 1 1 -17 16 9  f 382.3543 72.15390 5.940119       1.623699  8.022787       2.142276  3.128605       2.489061  487.9525 90.03602 276.7560 112.7752 211.1965       144.3078 
1 1 1 -17 16 10 o 193.3638 62.31815 -1.000325      1.411753  2.224066       2.207126  -3.232973      1.836595  249.7830 104.4037 136.9447 68.07409 112.8383       124.6363 
1 1 1 -17 16 11 o 305.0445 73.15276 3.808967       1.397224  3.023224       2.205184  4.335991       1.806008  271.3965 107.6745 338.6924 99.05307 -67.29584      146.3055 
1 1 1 -17 16 12 o 230.3788 70.42873 1.771487       1.570819  0.3231741      2.775462  2.454043       1.905343  210.3742 99.35186 250.3835 99.85003 -40.00929      140.8575 
1 1 1 -17 17 1  o 294.5617 65.70285 2.224219       1.455819  -1.191833      1.975827  6.281426       2.153279  172.0906 82.01002 417.0328 102.6733 -244.9422      131.4057 
1 1 1 -17 17 2  o 314.6408 71.40311 3.398724       1.437971  1.397883       1.924382  5.928408       2.163805  228.1289 96.53822 401.1527 105.2330 -173.0238      142.8062 
1 1 1 -17 17 3  o 252.9559 72.24496 1.883088       1.335585  1.231116       1.602988  3.363111       2.415183  216.5144 89.60604 289.3974 113.3494 -72.88304      144.4899 
1 1 1 -17 17 4  o 276.6824 71.82942 2.812140       1.307027  2.733992       1.695292  2.926665       2.052280  275.4640 97.38286 277.9008 105.6146 -2.436890      143.6588 
1 1 1 -17 17 5  o 167.0168 83.17632 -4.223398      2.794981  0.000000       0.000000  -4.223398      2.794981  ?        ?        167.0168 83.17632 ?              ?        
1 1 1 -17 17 6  o 245.0044 99.25346 2.061155       1.914680  2.061155       1.914680  0.000000       0.000000  245.0044 99.25346 ?        ?        ?              ?        
1 1 1 -17 17 7  o 268.9085 80.82844 -0.9271625     2.171547  8.656673       3.708627  -5.927409      2.678793  389.0463 143.1670 148.7707 75.07433 240.2756       161.6569 
1 1 1 -17 17 8  o 202.8770 70.14841 -1.818573      1.501911  3.720857       3.703886  -2.908641      1.643055  275.4973 124.4937 130.2567 64.68791 145.2406       140.2968 
1 1 1 -17 17 9  o 250.5619 72.01199 2.287581       1.455983  3.203494       2.110771  1.456214       2.010993  277.5801 106.7211 223.5437 96.71362 54.03633       144.0240 
1 1 1 -17 17 10 o 299.0589 76.18642 3.835738       1.656862  1.711514       2.403855  5.758180       2.286835  231.6253 102.7874 366.4925 112.4821 -134.8672      152.3728 
1 1 1 -17 17 11 o 280.8869 73.99496 3.328717       1.393044  4.229712       2.179485  2.706403       1.811330  303.9825 110.0708 257.7913 98.92135 46.19125       147.9899 
1 1 1 -17 17 12 o 207.8481 67.52563 1.130237       1.611583  -0.5065703     3.343782  1.625492       1.839305  200.3294 98.08404 215.3669 92.83515 -15.03751      135.0513 
1 1 1 -17 18 1  o 258.4640 73.65240 2.605726       1.509622  3.356294       2.133604  1.853293       2.136253  281.9312 107.5571 234.9968 100.6488 46.93448       147.3048 
1 1 1 -17 18 2  f 242.1713 103.7630 2.080745       2.272120  0.000000       0.000000  2.080745       2.272120  ?        ?        242.1713 103.7630 ?              ?        
1 1 1 -17 18 3  o 339.5140 76.68150 4.527358       1.429748  3.862615       1.759893  5.817764       2.452012  316.9565 98.90790 362.0715 117.2068 -45.11502      153.3630 
1 1 1 -17 18 4  o 160.2348 54.62520 -1.235202      1.267085  -0.7989577     1.526060  -2.203460      2.273537  155.1776 73.40209 165.2920 80.91837 -10.11443      109.2504 
1 1 1 -17 18 5  o 182.3460 62.00536 -0.7028998     1.483049  -1.559497      3.101104  -0.4488987     1.688674  195.7019 95.52644 168.9901 79.07819 26.71184       124.0107 
1 1 1 -17 18 6  o 249.4428 64.51089 2.238212       1.060072  1.863506       1.418060  2.712857       1.596002  231.7846 87.86282 267.1010 94.48145 -35.31638      129.0218 
1 1 1 -17 18 7  o 277.3414 71.68996 3.387431       1.417642  3.783354       1.549356  1.351354       3.513521  321.1619 91.08826 233.5210 110.7282 87.64085       143.3799 
1 1 1 -17 18 8  o 205.4070 70.66148 -1.213177      2.431995  -4.384638      3.744301  1.101134       3.198541  184.5732 92.56681 226.2408 106.7875 -41.66769      141.3230 
1 1 1 -17 18 9  o 214.3832 71.22928 0.8165426      1.933422  1.516871       2.155498  -2.066449      4.373394  220.5781 97.63546 208.1882 103.7389 12.38988       142.4586 
1 1 1 -17 18 10 o 239.6267 74.65045 2.406407       1.658444  2.423977       3.658638  2.401863       1.860577  237.5930 112.7561 241.6604 97.86127 -4.067322      149.3009 
1 1 1 -17 18 11 o 162.5040 55.30000 -1.289262      1.301970  0.8365822      2.031596  -2.770837      1.696030  195.4059 89.78489 129.6022 64.58354 65.80370       110.6000 
1 1 1 -17 19 1  o 211.7782 63.76522 1.030992       1.409278  2.707959       1.765808  -1.911165      2.338913  256.7000 97.86823 166.8565 81.76687 89.84348       127.5304 
1 1 1 -17 19 2  o 192.2866 62.63374 0.2916537      1.297135  -0.2198119     1.564127  1.418153       2.321290  165.8006 77.09167 218.7726 98.73608 -52.97197      125.2675 
1 1 1 -17 19 3  o 202.4470 58.78552 0.8194557      1.163231  2.435246       1.489035  -1.710672      1.863304  252.2688 91.03634 152.6252 74.39983 99.64359       117.5710 
1 1 1 -17 19 4  o 244.9621 65.97990 2.101492       1.324408  3.893655       1.800603  -0.1094916E-01 1.954886  306.7435 100.5060 183.1806 85.50986 123.5629       131.9598 
1 1 1 -17 19 5  o 147.1434 70.47526 -1.846711      1.408168  -8.125970      4.114250  -1.013515      1.498684  ?        ?        147.1434 70.47526 ?              ?        
1 1 1 -17 19 6  o 229.8070 62.19205 1.683366       1.072539  0.5617588      1.429205  3.129349       1.622765  180.4863 79.71508 279.1278 95.48251 -98.64156      124.3841 
1 1 1 -17 19 7  o 234.7934 74.32423 2.218789       1.914260  3.035884       2.294173  0.3460836      3.473160  256.0585 106.6846 213.5282 103.5121 42.53036       148.6485 
1 1 1 -17 19 8  o 309.6497 77.53371 4.717576       1.569004  4.179999       2.535806  5.051046       1.997214  279.5919 113.8686 339.7075 105.2609 -60.11554      155.0674 
1 1 1 -17 19 9  o 464.3229 70.83846 9.670267       1.681393  6.250373       2.677269  11.89764       2.160638  329.5646 121.5844 599.0812 72.72953 -269.5166      141.6769 
1 1 1 -17 19 10 o 203.0791 65.23796 1.386817       1.463953  1.647957       2.066390  1.123669       2.074318  208.6688 93.76054 197.4893 90.73549 11.17944       130.4759 
1 1 1 -17 20 1  o 173.5078 55.83438 -0.4304284     1.238301  1.635902       1.620188  -3.332982      1.920241  212.9541 89.26344 134.0614 67.09656 78.89270       111.6688 
1 1 1 -17 20 2  o 218.8210 66.98247 1.760056       1.317889  1.680855       1.594746  1.930644       2.340453  214.8836 89.18948 222.7584 99.95919 -7.874802      133.9649 
1 1 1 -17 20 3  o 354.3028 74.79546 5.472859       1.426381  5.101825       1.844991  6.024105       2.248847  351.1057 99.33617 357.4999 111.8471 -6.394257      149.5909 
1 1 1 -17 20 4  o 234.7608 66.17661 2.258751       1.293807  3.139045       1.653404  0.8683524      2.077949  271.3691 96.14680 198.1525 90.95694 73.21654       132.3532 
1 1 1 -17 20 5  o 207.6576 63.26750 1.378564       1.171429  0.9804181      1.480845  2.044316       1.914896  190.3337 82.66834 224.9816 95.79692 -34.64784      126.5350 
1 1 1 -17 20 6  o 170.2815 77.40283 -0.6166543     1.369832  -7.708054      4.011409  0.3194430      1.457443  ?        ?        170.2815 77.40283 ?              ?        
1 1 1 -17 20 7  o 228.0112 73.50008 2.264724       1.775051  1.431477       2.181790  3.896015       3.052754  206.6348 94.22697 249.3876 112.8287 -42.75275      147.0002 
1 1 1 -17 20 8  o 256.2870 74.39663 3.135071       1.468784  5.448542       2.567390  2.009512       1.790787  295.5045 116.5157 217.0694 92.53931 78.43517       148.7933 
1 1 1 -17 21 1  o 255.1139 81.17493 0.3698722      1.593568  -1.847236      1.728238  12.95571       4.117668  138.8460 68.47942 371.3817 147.2007 -232.5357      162.3499 
1 1 1 -17 21 2  o 333.6716 74.08356 5.482206       1.419753  5.541062       1.753011  5.370006       2.420406  366.9521 93.95561 300.3911 114.5681 66.56091       148.1671 
1 1 1 -17 21 3  o 239.5188 61.21235 1.002926       1.270841  -2.316962      1.666604  5.615048       1.964360  130.9752 65.06264 348.0623 103.7047 -217.0872      122.4247 
1 1 1 -17 21 4  o 194.7116 60.67081 0.9969668      1.128257  0.1612964      1.411306  2.476862       1.878102  160.9636 74.27664 228.4595 95.95192 -67.49590      121.3416 
1 1 1 -17 21 5  o 220.2053 63.51790 2.117882       1.154990  2.652628       1.555411  1.460600       1.724439  241.6431 91.91861 198.7676 87.68731 42.87549       127.0358 
1 1 1 -17 21 6  o 192.6442 65.52503 0.5780606      1.385642  3.723458       3.352192  -0.7011524E-01 1.521730  227.9148 108.0951 157.3736 74.09164 70.54118       131.0501 
1 1 1 -17 21 7  o 180.7456 62.87298 0.1965331E-01  1.993258  0.5072636      2.392462  -1.086878      3.604048  181.5003 87.46471 179.9909 90.34362 1.509384       125.7460 
1 1 1 -17 22 1  o 163.7566 55.06784 -0.2536618E-01 1.125485  -0.8064891     1.361918  1.657091       1.998773  134.1055 64.96219 193.4077 88.93694 -59.30217      110.1357 
1 1 1 -17 22 2  o 231.2539 69.50990 3.549393       1.627600  3.864921       1.757375  1.646623       4.315580  267.3434 98.52680 195.1644 98.07639 72.17892       139.0198 
1 1 1 -17 22 3  o 188.9243 58.15704 0.8921958      1.248162  2.995754       1.644317  -1.967773      1.917295  238.9545 93.54498 138.8942 69.12526 100.0603       116.3141 
1 1 1 -17 22 4  o 122.1476 59.37246 -1.518497      1.133210  -0.9577998     1.163310  -11.93460      5.013993  122.1476 59.37246 ?        ?        ?              ?        
1 1 1 -16 0  1  o 1438.522 43.12695 53.17642       4.423690  53.17642       4.423690  53.17642       4.423690  1438.522 60.99072 1438.522 60.99072 -0.000000      0.000000 
1 1 1 -16 0  2  o 502.4080 67.13867 7.156480       2.163511  7.156480       2.163511  7.156480       2.163511  502.4080 94.94843 502.4080 94.94843 -0.000000      0.000000 
1 1 1 -16 0  3  o 310.6602 103.9607 3.766162       2.621573  3.766162       2.621573  3.766162       2.621573  310.6602 147.0226 310.6602 147.0226 0.000000       0.000000 
1 1 1 -16 0  4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -16 0  5  o 451.0540 100.2250 6.720798       2.842309  6.720798       2.842309  6.720798       2.842309  451.0540 141.7395 451.0540 141.7395 0.000000       0.000000 
1 1 1 -16 0  6  o 543.6762 52.91150 8.028791       1.948600  8.028791       1.948600  8.028791       1.948600  543.6762 74.82816 543.6762 74.82816 -0.000000      0.000000 
1 1 1 -16 0  7  o 154.1525 67.73806 0.4715221      1.503008  0.4715221      1.503008  0.4715221      1.503008  154.1525 95.79608 154.1525 95.79608 -0.000000      0.000000 
1 1 1 -16 0  8  o 277.1947 80.18775 2.830207       1.568364  2.830207       1.568364  2.830207       1.568364  277.1947 113.4026 277.1947 113.4026 0.000000       0.000000 
1 1 1 -16 0  9  o 456.0564 58.91224 5.921952       1.733763  5.921952       1.733763  5.921952       1.733763  456.0564 83.31448 456.0564 83.31448 0.000000       0.000000 
1 1 1 -16 0  10 o 253.3986 75.31791 2.411366       1.374970  2.411366       1.374970  2.411366       1.374970  253.3986 106.5156 253.3986 106.5156 0.000000       0.000000 
1 1 1 -16 0  11 o 149.7578 71.13173 -0.5713454     2.158158  -0.5713454     2.158158  -0.5713454     2.158158  149.7578 100.5955 149.7578 100.5955 0.000000       0.000000 
1 1 1 -16 0  12 o 336.3897 88.99557 4.181156       1.999061  4.181156       1.999061  4.181156       1.999061  336.3897 125.8587 336.3897 125.8587 -0.000000      0.000000 
1 1 1 -16 0  13 o 191.9083 76.51183 1.472454       1.604537  1.472454       1.604537  1.472454       1.604537  191.9083 108.2041 191.9083 108.2041 0.000000       0.000000 
1 1 1 -16 0  14 o 159.8312 69.16012 0.7909408      1.510613  0.7909408      1.510613  0.7909408      1.510613  159.8312 97.80717 159.8312 97.80717 0.000000       0.000000 
1 1 1 -16 0  15 o 99.63570 50.26515 -2.009545      1.599224  -2.009545      1.599224  -2.009545      1.599224  99.63570 71.08566 99.63570 71.08566 0.000000       0.000000 
1 1 1 -16 0  16 f 248.0712 80.26170 2.699924       1.554244  2.699924       1.554244  2.699924       1.554244  248.0712 113.5072 248.0712 113.5072 0.000000       0.000000 
1 1 1 -16 0  17 o 528.7347 66.99982 8.808907       2.293941  8.808907       2.293941  8.808907       2.293941  528.7347 94.75205 528.7347 94.75205 -0.000000      0.000000 
1 1 1 -16 0  18 o 144.9898 71.01188 -0.5878934     2.537891  -0.5878934     2.537891  -0.5878934     2.537891  144.9898 100.4260 144.9898 100.4260 -0.000000      0.000000 
1 1 1 -16 1  1  o 720.5105 83.03834 14.32344       2.923453  13.73406       4.084103  14.94276       4.186574  704.3745 118.7509 736.6465 116.1020 -32.27197      166.0767 
1 1 1 -16 1  2  o 322.2921 80.08891 2.559227       1.571100  2.698163       1.923958  2.281149       2.721900  320.7051 103.8226 323.8791 121.9746 -3.174011      160.1778 
1 1 1 -16 1  3  o 767.7274 56.83699 15.31429       2.051588  14.82989       2.502105  16.30811       3.583919  754.3333 66.18665 781.1215 92.41807 -26.78821      113.6740 
1 1 1 -16 1  4  o 524.8506 60.44090 7.376423       1.526640  9.470813       2.246542  5.579415       2.080946  598.2776 75.87533 451.4235 94.10282 146.8541       120.8818 
1 1 1 -16 1  5  o 539.8459 76.86475 7.816788       1.865469  7.431646       2.203216  8.792118       3.506087  524.9919 85.86246 554.6998 127.5163 -29.70789      153.7295 
1 1 1 -16 1  6  o 547.6998 71.65599 8.235822       1.690200  8.204763       1.963282  8.324752       3.322160  556.5016 71.32534 538.8981 124.3021 17.60352       143.3120 
1 1 1 -16 1  7  o 446.6899 71.41932 5.415629       1.477503  6.041577       2.697006  5.147214       1.766104  459.1705 115.9833 434.2092 83.37123 24.96130       142.8386 
1 1 1 -16 1  8  o 409.8112 72.71883 4.937302       1.437609  4.051013       2.649647  5.307053       1.711413  378.2681 121.7751 441.3544 79.51683 -63.08633      145.4377 
1 1 1 -16 1  9  o 345.9450 60.75529 3.367304       1.060989  3.672289       1.438193  3.003116       1.571595  364.4361 80.13100 327.4539 91.34464 36.98227       121.5106 
1 1 1 -16 1  10 o 461.2584 67.23035 5.923288       1.432455  5.747200       1.733731  6.302071       2.542799  458.0587 77.52728 464.4581 109.8599 -6.399384      134.4607 
1 1 1 -16 1  11 o 366.0139 83.72168 3.947764       1.775300  3.603513       2.541646  4.275722       2.480767  352.9300 119.5020 379.0978 117.2883 -26.16782      167.4434 
1 1 1 -16 1  12 o 477.4492 76.44078 6.788034       1.807256  7.402701       2.548361  6.166093       2.563396  502.5597 103.6023 452.3387 112.4247 50.22098       152.8816 
1 1 1 -16 1  13 o 252.5051 61.88744 1.468992       1.092776  2.776186       1.484458  -0.7738062E-01 1.614564  310.1160 89.54809 194.8943 85.44800 115.2217       123.7749 
1 1 1 -16 1  14 o 265.9791 70.71704 1.800690       1.296900  2.073558       1.845915  1.534701       1.822495  276.7826 101.1330 255.1756 98.87219 21.60703       141.4341 
1 1 1 -16 1  15 o 256.6310 69.34873 1.670688       1.260615  1.261726       1.727121  2.136969       1.844190  238.4759 95.07683 274.7862 100.9821 -36.31026      138.6975 
1 1 1 -16 1  16 o 242.8555 67.88433 1.247696       1.295539  0.1544698      1.797878  2.428495       1.868501  203.4247 89.64899 282.2864 101.9617 -78.86174      135.7687 
1 1 1 -16 1  17 o 193.4378 61.26597 -0.1109120     1.230702  0.1995885      1.839705  -0.3624202     1.655744  204.7377 90.43303 182.1378 82.67976 22.59988       122.5319 
1 1 1 -16 1  18 o 258.3737 74.95346 1.467934       1.774106  3.257604       2.257179  -1.424578      2.869572  306.5073 111.8575 210.2402 99.79970 96.26704       149.9069 
1 1 1 -16 2  1  o 294.4846 79.18665 1.655836       1.769780  3.011639       2.054744  -2.240604      3.483321  336.2566 107.1305 252.7125 116.6412 83.54410       158.3733 
1 1 1 -16 2  2  o 240.9854 71.42329 -0.5657331     1.462897  -1.820673      1.779255  2.052687       2.570078  170.1792 80.11914 311.7917 118.2627 -141.6125      142.8466 
1 1 1 -16 2  3  o 972.0594 50.06331 24.76601       2.352567  25.06307       2.963645  24.25991       3.868287  984.2005 59.76123 959.9183 80.33639 24.28217       100.1266 
1 1 1 -16 2  4  o 1002.033 42.13305 26.06153       2.119883  23.74182       3.010914  28.34178       2.985184  956.4346 62.52536 1047.631 56.49209 -91.19617      84.26611 
1 1 1 -16 2  5  o 241.3305 67.32216 0.7894004      1.281362  1.763816       1.721133  -0.4222551     1.919251  273.5644 97.97078 209.0966 92.36243 64.46785       134.6443 
1 1 1 -16 2  6  o 198.8676 59.05661 -0.3831936     1.157772  1.203037       1.498841  -2.729812      1.823030  240.6626 90.53678 157.0726 75.85396 83.58992       118.1132 
1 1 1 -16 2  7  o 588.6843 51.83438 9.498893       1.415316  6.058891       1.991017  13.01273       2.012270  470.4878 86.78513 706.8809 56.70583 -236.3931      103.6688 
1 1 1 -16 2  8  o 341.9097 72.52744 3.148704       1.298322  2.872171       1.589574  3.702897       2.250286  321.6656 92.60103 362.1537 111.6511 -40.48807      145.0549 
1 1 1 -16 2  9  o 362.1403 67.43483 3.995591       1.256125  4.681826       1.506773  2.432046       2.274399  414.5173 74.54000 309.7632 112.3994 104.7541       134.8697 
1 1 1 -16 2  10 o 401.2452 81.49934 4.757757       1.766300  5.631762       2.482746  3.862046       2.513387  437.4828 111.7058 365.0076 118.7029 72.47525       162.9987 
1 1 1 -16 2  11 o 233.5432 64.82001 1.042440       1.146487  -0.5979797     2.175787  1.672985       1.348953  213.5976 96.07056 253.4889 87.04588 -39.89125      129.6400 
1 1 1 -16 2  12 o 459.2596 66.52135 5.905127       1.400857  6.535994       2.530447  5.626342       1.682141  467.8257 108.8811 450.6935 76.45444 17.13217       133.0427 
1 1 1 -16 2  13 o 545.1972 60.69258 8.342453       1.605383  7.903087       2.113347  8.941908       2.468513  531.0082 81.19099 559.3862 90.23513 -28.37805      121.3852 
1 1 1 -16 2  14 o 328.7635 74.06319 3.296106       1.439234  4.133264       1.935658  2.261068       2.152303  368.6485 100.8121 288.8785 108.5281 79.77002       148.1264 
1 1 1 -16 2  15 o 162.0189 52.78713 -1.264852      1.057334  0.1821611      1.510800  -2.653957      1.480260  192.9052 83.64244 131.1326 64.41946 61.77260       105.5743 
1 1 1 -16 2  16 o 403.7796 70.80455 5.248912       1.442598  5.617187       1.952055  4.805753       2.141341  425.9244 93.12306 381.6347 106.6829 44.28970       141.6091 
1 1 1 -16 2  17 o 201.6200 61.68259 0.3896699      1.161974  0.6630026      1.581124  0.6869309E-01  1.713393  207.5465 87.64919 195.6934 86.81353 11.85310       123.3652 
1 1 1 -16 2  18 o 267.2958 80.37460 1.784316       1.821353  1.267195       2.254466  2.756087       3.090508  242.7914 103.6758 291.8003 122.8480 -49.00883      160.7492 
1 1 1 -16 3  1  o 374.7000 89.13123 3.594367       1.809033  3.537959       2.075001  3.773067       3.693247  359.3517 106.4754 390.0483 142.9703 -30.69659      178.2625 
1 1 1 -16 3  2  o 759.1984 62.78952 14.32783       2.122832  13.11339       2.462208  17.84492       4.190133  707.5178 69.64168 810.8788 104.4994 -103.3610      125.5790 
1 1 1 -16 3  3  o 472.0179 69.71317 5.973762       1.586818  5.288424       2.034751  7.037535       2.535031  438.9736 94.36418 505.0623 102.6407 -66.08875      139.4263 
1 1 1 -16 3  4  o 447.3664 64.06236 5.493502       1.399021  5.054252       2.026137  5.893753       1.934100  428.1198 95.86549 466.6130 85.00443 -38.49323      128.1247 
1 1 1 -16 3  5  o 1055.506 40.88755 28.86281       2.175843  28.21380       3.088479  29.50234       3.065858  1043.322 58.70993 1067.691 56.92373 -24.36890      81.77509 
1 1 1 -16 3  6  f 591.8202 49.56372 9.148555       1.444317  8.378320       1.900026  10.20282       2.222914  563.0671 68.03169 620.5733 72.09673 -57.50616      99.12744 
1 1 1 -16 3  7  o 370.0410 58.44746 3.601616       1.099067  2.001646       1.444943  5.798067       1.692994  275.9581 90.01571 464.1237 74.57610 -188.1656      116.8949 
1 1 1 -16 3  8  f 449.4008 56.25244 5.519439       1.230892  5.046459       1.740801  5.992358       1.740686  428.2036 83.29840 470.5981 75.62224 -42.39453      112.5049 
1 1 1 -16 3  9  o 413.1521 56.58919 4.742159       1.135780  5.181890       1.554367  4.238411       1.663668  436.9820 72.82263 389.3222 86.63838 47.65982       113.1784 
1 1 1 -16 3  10 o 668.6263 53.36246 11.50919       1.681575  10.37397       2.034444  13.95724       2.987558  623.8400 65.38720 713.4127 84.34882 -89.57269      106.7249 
1 1 1 -16 3  11 o 300.7035 110.5488 2.341701       2.210466  0.000000       0.000000  2.341701       2.210466  ?        ?        300.7035 110.5488 ?              ?        
1 1 1 -16 3  12 o 289.8120 78.35983 2.048478       1.615655  1.575806       2.361411  2.464482       2.215340  276.4728 110.8470 303.1512 110.7881 -26.67834      156.7197 
1 1 1 -16 3  13 o 431.3101 77.39974 5.633945       1.719087  4.280678       2.354545  7.178879       2.515766  372.7878 114.0888 489.8324 104.6261 -117.0446      154.7995 
1 1 1 -16 3  14 o 334.1512 66.92654 3.348157       1.183560  3.402308       1.643687  3.289847       1.705645  337.4337 93.15618 330.8686 96.11749 6.565125       133.8531 
1 1 1 -16 3  15 o 238.0986 65.95622 1.302228       1.174769  1.814969       1.653251  0.7792829      1.669619  257.3923 95.42690 218.8049 91.07470 38.58733       131.9124 
1 1 1 -16 3  16 o 252.8310 69.97144 1.546850       1.329875  2.569214       1.975253  0.6991841      1.798591  287.4410 104.6786 218.2209 92.87839 69.22003       139.9429 
1 1 1 -16 3  17 o 495.0364 65.30840 7.574541       1.573211  8.313682       2.322537  6.947870       2.138547  518.1716 91.89805 471.9012 92.81972 46.27036       130.6168 
1 1 1 -16 3  18 o 310.5438 84.74910 3.231157       1.811260  2.396510       2.233048  4.836346       3.096774  274.8786 108.5750 346.2090 130.1581 -71.33044      169.4982 
1 1 1 -16 4  1  o 309.7150 81.60462 2.071040       1.678289  2.658453       2.705749  1.703725       2.139610  334.3232 122.3989 285.1068 107.9619 49.21640       163.2092 
1 1 1 -16 4  2  o 240.1486 69.28621 0.6708304      1.347185  1.172792       1.803327  0.3689631E-01  2.026568  253.0023 98.26154 227.2950 97.70868 25.70732       138.5724 
1 1 1 -16 4  3  o 338.9139 80.17525 2.713880       1.471082  2.276303       1.714759  3.933681       2.862991  296.5625 98.12508 381.2654 126.8217 -84.70285      160.3505 
1 1 1 -16 4  4  o 237.1210 71.95135 0.1742011      1.513896  0.6406298      1.854546  -0.7574202     2.620986  236.2265 96.92569 238.0156 106.3645 -1.789047      143.9027 
1 1 1 -16 4  5  o 491.4640 59.15385 6.520224       1.413786  5.651562       1.946911  7.489305       2.056368  454.6681 87.75874 528.2598 79.34177 -73.59174      118.3077 
1 1 1 -16 4  6  o 413.0901 63.07512 4.310422       1.277462  2.684903       1.602630  7.142952       2.115556  313.3227 93.74289 512.8574 84.41654 -199.5347      126.1502 
1 1 1 -16 4  7  o 766.7549 44.54010 15.59683       1.688320  17.99163       2.352122  13.05169       2.424827  831.2473 56.22210 702.2624 69.09672 128.9849       89.08019 
1 1 1 -16 4  8  o 803.0726 40.89996 16.87536       1.651207  16.62214       2.351663  17.12159       2.318997  796.7066 58.71711 809.4387 56.95197 -12.73212      81.79991 
1 1 1 -16 4  9  o 240.1877 67.54514 0.9723868      1.174647  0.7890108      1.442963  1.332638       2.022491  218.1365 86.92421 262.2388 103.4097 -44.10233      135.0903 
1 1 1 -16 4  10 o 833.6840 51.21745 18.77656       1.980647  18.97631       2.405390  18.35591       3.490545  850.1509 56.20347 817.2171 85.63924 32.93378       102.4349 
1 1 1 -16 4  11 o 713.8207 48.43894 13.41123       1.668491  14.83994       2.797519  12.62243       2.078666  738.1677 75.94064 689.4738 60.15266 48.69397       96.87788 
1 1 1 -16 4  12 o 560.7931 57.57543 7.649664       1.436042  11.66296       2.879231  6.320728       1.656829  640.9368 91.31326 480.6494 70.15417 160.2874       115.1509 
1 1 1 -16 4  13 o 200.9359 63.83310 -0.4400452     1.356694  -0.1578910E-02 1.777350  -1.052209      2.100094  204.8495 89.73644 197.0223 90.80764 7.827209       127.6662 
1 1 1 -16 4  14 o 270.7190 70.20386 1.789623       1.448018  3.252327       1.822774  -0.7124648     2.383999  326.8226 100.4422 214.6154 98.11063 112.2072       140.4077 
1 1 1 -16 4  15 o 544.9647 64.50822 8.843886       1.647259  9.146563       2.746588  8.673856       2.058586  539.4545 104.3403 550.4749 75.88377 -11.02039      129.0164 
1 1 1 -16 4  16 o 435.1224 69.80089 5.591360       1.471927  8.274521       2.484446  4.140189       1.827114  511.2351 99.57039 359.0098 97.84882 152.2253       139.6018 
1 1 1 -16 4  17 o 261.9039 71.56688 1.856805       1.379710  2.912459       2.037963  0.9635527      1.874659  297.3693 106.5956 226.4384 95.52300 70.93089       143.1338 
1 1 1 -16 4  18 o 260.5765 74.66669 2.011933       1.556074  1.134407       2.601678  2.500692       1.941649  245.0695 107.9306 276.0836 103.2058 -31.01411      149.3334 
1 1 1 -16 5  1  o 1118.793 56.82698 34.07345       2.877360  30.42451       5.194834  35.68836       3.455912  1062.211 97.69496 1175.375 58.07681 -113.1633      113.6540 
1 1 1 -16 5  2  o 557.9874 66.82510 7.799044       1.753870  11.97386       2.988248  5.605170       2.166226  666.0651 90.99750 449.9097 97.88682 216.1553       133.6502 
1 1 1 -16 5  3  o 753.3138 48.83450 14.90459       1.841008  14.52170       2.610332  15.28354       2.596879  743.1655 70.21056 763.4620 67.89485 -20.29651      97.66901 
1 1 1 -16 5  4  o 692.7947 62.21496 12.75981       1.979569  12.48118       2.390176  13.36834       3.532315  688.3589 69.53877 697.2303 103.1851 -8.871399      124.4299 
1 1 1 -16 5  5  o 1491.874 50.01757 58.40393       3.557946  58.52649       4.376157  58.16495       6.110978  1503.566 57.48927 1480.182 81.86583 23.38403       100.0351 
1 1 1 -16 5  6  o 1558.229 41.15266 62.97760       3.245510  61.17763       4.527877  64.87959       4.654427  1535.307 58.25264 1581.150 58.14463 -45.84204      82.30533 
1 1 1 -16 5  7  o 765.8487 44.46070 15.37058       1.703132  14.84383       2.302963  16.00644       2.530232  752.1520 61.00359 779.5453 64.69605 -27.39331      88.92141 
1 1 1 -16 5  8  o 586.5898 47.07364 9.155819       1.372821  9.435044       1.961426  8.887679       1.922097  595.6219 66.16363 577.5577 66.97825 18.06415       94.14729 
1 1 1 -16 5  9  o 889.4772 47.66778 20.21716       2.016203  18.62626       2.443057  23.61472       3.570236  842.1874 57.64489 936.7669 75.93375 -94.57953      95.33556 
1 1 1 -16 5  10 o 873.4880 40.57256 20.08878       1.784184  20.16300       2.533961  20.01580       2.512609  875.0096 57.52152 871.9665 57.23466 3.043091       81.14513 
1 1 1 -16 5  11 o 460.8845 64.51308 5.494970       1.413687  8.975377       2.423891  3.700773       1.740336  564.9217 87.58576 356.8473 94.74429 208.0744       129.0262 
1 1 1 -16 5  12 o 403.1871 73.02050 4.957760       1.437985  4.439597       2.593012  5.187889       1.728050  378.5192 120.3211 427.8549 82.76962 -49.33572      146.0410 
1 1 1 -16 5  13 o 404.1302 72.07834 4.914025       1.473064  4.447936       2.002493  5.463668       2.174585  383.2212 101.5744 425.0392 102.2926 -41.81796      144.1567 
1 1 1 -16 5  14 o 339.7956 66.49098 3.612695       1.228823  2.449786       1.895230  4.456158       1.614069  289.6882 102.9059 389.9029 84.22929 -100.2147      132.9820 
1 1 1 -16 5  15 o 711.4474 49.44006 14.40108       1.724480  12.15500       2.499542  16.44130       2.382251  649.4668 77.55236 773.4280 61.34258 -123.9612      98.88013 
1 1 1 -16 5  16 o 789.5116 58.90657 17.68591       2.248784  15.21089       2.794455  22.23405       3.788128  721.8154 77.69309 857.2078 88.56477 -135.3923      117.8131 
1 1 1 -16 5  17 o 218.3217 96.68047 0.3997393      2.115872  0.3997393      2.115872  0.000000       0.000000  218.3217 96.68047 ?        ?        ?              ?        
1 1 1 -16 5  18 o 250.4433 74.62530 1.649692       1.561718  1.807676       2.659221  1.566514       1.929521  259.5823 111.7606 241.3044 98.92067 18.27798       149.2506 
1 1 1 -16 6  1  o 549.3136 78.61804 8.073568       1.921347  9.517177       3.703221  7.541834       2.247514  571.9659 130.7386 526.6613 87.35330 45.30463       157.2361 
1 1 1 -16 6  2  o 365.8367 84.85102 3.713233       1.779164  2.935871       3.164655  4.072477       2.151340  350.8294 131.6391 380.8440 107.0978 -30.01456      169.7020 
1 1 1 -16 6  3  o 695.5530 67.11993 13.43941       2.022819  12.52070       3.800898  13.80245       2.389283  665.9229 117.0103 725.1832 65.79454 -59.26038      134.2399 
1 1 1 -16 6  4  o 851.6777 61.75317 18.94318       2.644583  18.94318       2.644583  0.000000       0.000000  851.6777 61.75317 ?        ?        ?              ?        
1 1 1 -16 6  5  o 1100.592 50.79236 31.75983       2.595472  31.43857       3.118622  32.48379       4.681580  1100.199 56.17690 1100.985 84.63811 -0.7866211     101.5847 
1 1 1 -16 6  6  o 1072.810 40.92376 29.87380       2.209538  27.57494       3.018577  32.52719       3.242998  1028.234 58.22558 1117.387 57.52216 -89.15381      81.84752 
1 1 1 -16 6  7  o 289.6724 54.78938 1.263280       1.095159  -1.331962      1.426433  4.989511       1.709218  154.0626 72.27930 425.2822 82.36024 -271.2195      109.5788 
1 1 1 -16 6  8  o 932.3506 48.93283 23.25780       2.115980  23.49972       2.560311  22.73652       3.758377  949.1068 53.50184 915.5943 81.94656 33.51251       97.86565 
1 1 1 -16 6  9  o 752.2347 51.57566 15.01710       1.844442  14.51326       2.270729  15.99418       3.162169  740.4868 61.11711 763.9827 83.09570 -23.49591      103.1513 
1 1 1 -16 6  10 o 403.9718 66.37487 4.472586       1.263727  5.462104       2.244888  4.013542       1.529009  430.6289 104.1159 377.3147 82.35516 53.31421       132.7497 
1 1 1 -16 6  11 o 516.4541 64.54935 6.913587       1.508486  9.668325       2.852278  5.843872       1.777402  575.7484 101.5657 457.1598 79.69246 118.5885       129.0987 
1 1 1 -16 6  12 o 396.7017 74.87944 4.699009       1.445503  4.885488       2.668891  4.621599       1.719550  393.3339 121.6478 400.0695 87.34718 -6.735657      149.7589 
1 1 1 -16 6  13 o 212.3011 62.03160 -0.7097233E-01 1.240838  1.869652       1.730999  -2.122173      1.779631  265.5659 97.79773 159.0363 76.33664 106.5296       124.0632 
1 1 1 -16 6  14 o 184.6679 55.97988 -1.085528      1.034967  1.623427       1.671543  -2.769733      1.317996  250.6773 95.30434 118.6584 58.75434 132.0190       111.9598 
1 1 1 -16 6  15 o 504.4421 57.43141 7.426577       1.393434  9.512911       2.069297  5.695649       1.884822  576.8124 72.45968 432.0717 89.12386 144.7407       114.8628 
1 1 1 -16 6  16 o 411.2594 72.25747 5.464673       1.496848  6.679370       2.278465  4.542362       1.985394  452.6142 101.8896 369.9046 102.4846 82.70956       144.5149 
1 1 1 -16 6  17 o 324.2683 77.16811 3.411053       1.488322  2.389688       1.885293  5.100405       2.424646  273.9966 101.8402 374.5401 115.9665 -100.5436      154.3362 
1 1 1 -16 6  18 o 400.5516 109.7445 5.828172       2.291323  0.000000       0.000000  5.828172       2.291323  ?        ?        400.5516 109.7445 ?              ?        
1 1 1 -16 7  1  o 526.8198 78.21233 7.289159       1.963755  5.533233       2.425248  10.63226       3.346398  440.4402 109.2849 613.1994 111.9173 -172.7592      156.4247 
1 1 1 -16 7  2  o 559.1510 82.53675 10.91764       2.271382  3.583318       4.003809  14.39827       2.758179  382.5188 147.0027 735.7832 75.09645 -353.2644      165.0735 
1 1 1 -16 7  3  o 385.9763 78.08178 4.574867       1.575290  2.384228       3.253092  5.245909       1.800469  334.6294 131.4058 437.3231 84.37753 -102.6937      156.1636 
1 1 1 -16 7  4  o 464.5076 61.21557 5.970473       1.378199  4.632016       1.930020  7.363101       1.968689  406.2300 95.46026 522.7852 76.65978 -116.5552      122.4311 
1 1 1 -16 7  5  o 428.8784 74.14576 5.972418       1.595734  7.173185       1.879585  2.872892       3.019814  516.3371 74.02010 341.4196 128.4967 174.9174       148.2915 
1 1 1 -16 7  6  o 213.4964 61.65325 0.5430371      1.060757  0.1875179      1.459416  0.9412028      1.544470  197.4903 83.84909 229.5025 90.40919 -32.01219      123.3065 
1 1 1 -16 7  7  o 606.4299 73.25671 10.20166       1.796697  10.01932       2.031318  10.85703       3.851081  613.1948 66.49854 599.6650 130.5531 13.52979       146.5134 
1 1 1 -16 7  8  o 990.3060 51.70075 28.02545       2.338807  32.09658       2.932317  20.90721       3.877391  1110.482 52.15737 870.1296 89.28315 240.3527       103.4015 
1 1 1 -16 7  9  o 415.9424 69.06983 4.694685       1.396214  3.681474       1.738331  6.536537       2.343741  357.1652 94.62350 474.7197 100.6427 -117.5545      138.1397 
1 1 1 -16 7  10 o 159.2398 51.57458 -1.132960      1.020328  -3.760827      1.803967  0.1031473      1.237243  139.7144 69.10139 178.7653 76.58163 -39.05089      103.1492 
1 1 1 -16 7  11 o 292.3889 68.83465 2.402191       1.183349  2.553310       1.813713  2.290180       1.561485  299.6766 100.9515 285.1012 93.60355 14.57538       137.6693 
1 1 1 -16 7  12 o 398.5190 67.73094 3.625227       1.403083  8.846856       2.585462  1.445502       1.670460  549.0724 96.53268 247.9655 95.03349 301.1069       135.4619 
1 1 1 -16 7  13 o 222.6168 60.43519 0.2854868      1.184599  2.505290       1.623595  -2.241298      1.732227  291.4798 95.43488 153.7538 74.17435 137.7260       120.8704 
1 1 1 -16 7  14 o 351.7038 68.53539 3.861130       1.240592  3.873825       2.003802  3.853240       1.579773  346.8535 105.0582 356.5542 88.04079 -9.700684      137.0708 
1 1 1 -16 7  15 o 215.5375 60.81813 0.5614491      1.114213  2.175493       1.608758  -0.9265521     1.544666  267.7656 94.84307 163.3094 76.15884 104.4563       121.6363 
1 1 1 -16 7  16 o 517.0667 59.11681 8.189461       1.458315  6.261317       2.075805  10.06848       2.049189  442.4869 95.46546 591.6465 69.75339 -149.1596      118.2336 
1 1 1 -16 7  17 o 244.8081 71.81157 1.527907       1.476722  1.960730       1.921095  0.9027928      2.308733  256.3394 100.8793 233.2768 102.2299 23.06264       143.6231 
1 1 1 -16 7  18 o 258.0924 108.1639 2.116354       2.378215  0.000000       0.000000  2.116354       2.378215  ?        ?        258.0924 108.1639 ?              ?        
1 1 1 -16 8  1  o 538.4512 67.41225 8.044901       1.764777  9.252962       2.565601  6.959960       2.431351  579.9210 90.32616 496.9814 100.0941 82.93967       134.8245 
1 1 1 -16 8  2  o 1113.985 44.03996 32.51992       2.472442  33.46462       3.479390  31.55634       3.513989  1131.148 60.98284 1096.823 63.55443 34.32520       88.07992 
1 1 1 -16 8  3  o 247.1187 76.07635 0.1977515      1.665948  -0.7615843     3.160250  0.5669416      1.960474  257.9658 115.9273 236.2717 98.54597 21.69406       152.1527 
1 1 1 -16 8  4  o 835.1003 56.91937 17.28283       2.223457  23.24200       4.119287  14.83283       2.641268  923.5814 89.20789 746.6194 70.71925 176.9620       113.8387 
1 1 1 -16 8  5  o 525.0779 74.05877 7.924068       1.771902  8.036515       2.134889  7.675116       3.176575  543.0878 80.04679 507.0680 124.6247 36.01987       148.1175 
1 1 1 -16 8  6  o 655.4482 63.13853 11.82453       1.821347  11.78324       2.153186  11.92839       3.414818  666.1571 64.65856 644.7393 108.4673 21.41785       126.2771 
1 1 1 -16 8  7  o 1028.195 48.39444 28.15445       2.392295  28.12963       2.981075  28.19936       4.009479  1035.318 57.09492 1021.071 78.15534 14.24683       96.78889 
1 1 1 -16 8  8  o 435.7698 65.82336 5.007540       1.391920  3.385871       1.741457  7.876238       2.316190  342.5576 96.36581 528.9819 89.69106 -186.4242      131.6467 
1 1 1 -16 8  9  o 307.4958 60.44223 2.483846       1.131582  4.575911       1.623694  0.5081617      1.577885  402.7938 82.40055 212.1979 88.44885 190.5959       120.8845 
1 1 1 -16 8  10 o 267.3557 70.31097 1.739290       1.143299  1.771141       2.363864  1.729564       1.306242  281.2408 111.5125 253.4707 85.67091 27.77007       140.6219 
1 1 1 -16 8  11 o 155.4049 52.02636 -1.522221      1.062005  -1.096992      1.660225  -1.816725      1.381657  171.6488 79.68158 139.1609 66.91649 32.48788       104.0527 
1 1 1 -16 8  12 o 204.1045 63.41685 0.9817354E-01  1.218595  -1.612487      2.434502  0.6700747      1.407631  201.5527 94.51697 206.6563 84.57738 -5.103531      126.8337 
1 1 1 -16 8  13 o 413.9156 69.31432 5.252280       1.409303  5.195831       1.816850  5.337553       2.233017  417.7142 88.65577 410.1170 106.5742 7.597198       138.6286 
1 1 1 -16 8  14 o 266.0826 68.30720 2.098177       1.215590  1.332479       1.990017  2.553942       1.535318  244.3591 100.3493 287.8061 92.70117 -43.44707      136.6144 
1 1 1 -16 8  15 o 256.1119 66.54596 1.483941       1.269079  3.496747       1.880606  -0.1991092     1.719671  323.8769 102.4167 188.3468 84.99580 135.5301       133.0919 
1 1 1 -16 8  16 o 323.6173 72.44869 3.517750       1.315617  3.811435       2.052712  3.313010       1.713913  331.0012 107.2492 316.2334 97.43136 14.76782       144.8974 
1 1 1 -16 8  17 o 366.1952 82.45374 5.057642       1.731247  4.292404       2.367907  5.936490       2.537599  336.6867 115.3388 395.7037 117.8620 -59.01706      164.9075 
1 1 1 -16 9  1  o 1548.871 43.61973 62.85279       3.414308  57.98318       4.771818  67.96111       4.887377  1485.903 63.43220 1611.839 59.89222 -125.9366      87.23946 
1 1 1 -16 9  2  o 712.5532 54.19261 13.92791       1.857748  17.26003       2.602880  10.46800       2.652322  808.2411 64.13757 616.8652 87.37120 191.3759       108.3852 
1 1 1 -16 9  3  o 257.3935 73.37113 1.134547       1.455127  1.368151       1.852410  0.7581227      2.351451  257.5634 99.71293 257.2236 107.6598 0.3398132      146.7423 
1 1 1 -16 9  4  o 552.3767 77.22753 8.544719       1.910302  9.501350       3.591153  8.167197       2.255966  560.3506 129.2265 544.4028 84.59827 15.94775       154.4551 
1 1 1 -16 9  5  o 633.2840 48.70800 10.72914       1.533633  10.99598       2.247983  10.49682       2.097587  639.8595 70.56828 626.7085 67.15652 13.15100       97.41601 
1 1 1 -16 9  6  o 613.5222 68.28782 10.10659       2.085092  10.10659       2.085092  0.000000       0.000000  613.5222 68.28782 ?        ?        ?              ?        
1 1 1 -16 9  7  o 462.1932 67.06503 6.650008       1.456995  7.908691       1.819641  4.401363       2.432137  541.3510 67.88600 383.0354 115.6822 158.3156       134.1301 
1 1 1 -16 9  8  o 635.4851 53.86680 11.13677       1.631829  11.36927       2.069832  10.75491       2.652606  651.5928 63.55351 619.3774 86.99126 32.21539       107.7336 
1 1 1 -16 9  9  o 328.2556 70.70631 2.732991       1.277749  4.844525       2.190855  1.644530       1.572972  401.0457 106.2183 255.4655 93.35517 145.5802       141.4126 
1 1 1 -16 9  10 o 245.3602 69.90905 1.183261       1.267793  0.9360203      2.314403  1.289255       1.515375  253.4072 106.4772 237.3131 90.61846 16.09402       139.8181 
1 1 1 -16 9  11 o 359.1346 65.07726 3.807568       1.197140  4.523897       1.736659  3.158984       1.652499  392.5343 89.38943 325.7350 94.60300 66.79938       130.1545 
1 1 1 -16 9  12 o 196.6363 62.64875 -0.4351129E-01 1.155499  -3.078029      2.935354  0.5129435      1.256987  201.1218 96.91083 192.1507 79.42136 8.971146       125.2975 
1 1 1 -16 9  13 o 238.8042 66.55472 1.297729       1.228827  1.983963       1.632702  0.4011072      1.866273  263.2466 95.27633 214.3618 92.95453 48.88474       133.1094 
1 1 1 -16 9  14 o 304.8257 70.18420 2.900018       1.206146  3.505687       2.007189  2.557704       1.508975  323.7514 106.1168 285.9001 91.88311 37.85129       140.3684 
1 1 1 -16 9  15 o 222.7234 65.75104 0.9273190      1.272954  0.9424780E-01  1.848922  1.678065       1.755190  199.9877 89.35550 245.4591 96.48001 -45.47136      131.5021 
1 1 1 -16 9  16 o 301.9888 73.53155 3.173673       1.458643  1.795487       2.242290  4.184728       1.920547  254.9407 105.7821 349.0368 102.1651 -94.09612      147.0631 
1 1 1 -16 9  17 o 258.2690 76.30584 2.030947       1.727514  0.7914200      2.764095  2.825448       2.212952  235.5476 106.8869 280.9905 108.9290 -45.44296      152.6117 
1 1 1 -16 10 1  o 851.0448 47.80918 19.22711       2.035694  18.27439       2.742780  20.39562       3.037546  828.6184 65.92640 873.4712 69.25735 -44.85278      95.61836 
1 1 1 -16 10 2  o 609.3551 60.47440 10.37606       1.775079  8.288744       2.525792  12.41308       2.495170  540.9023 95.73832 677.8079 73.91068 -136.9056      120.9488 
1 1 1 -16 10 3  o 333.2070 72.75051 2.741717       1.519359  0.6187076      2.046749  5.347545       2.267574  238.9939 100.2610 427.4200 105.4432 -188.4262      145.5010 
1 1 1 -16 10 4  o 487.3730 83.27450 6.383711       1.900806  9.563405       3.544744  5.100395       2.251951  558.4476 128.1012 416.2984 106.4361 142.1491       166.5490 
1 1 1 -16 10 5  o 336.7801 72.29923 2.462653       1.995245  -5.575200      3.446771  6.513522       2.446901  202.3390 99.17684 471.2213 105.2267 -268.8823      144.5985 
1 1 1 -16 10 6  o 776.0630 60.18528 15.98395       2.346177  15.98395       2.346177  0.000000       0.000000  776.0630 60.18528 ?        ?        ?              ?        
1 1 1 -16 10 7  o 355.3820 67.28591 4.090662       1.327610  5.211611       1.597459  1.587610       2.387106  433.3985 75.55132 277.3655 111.3624 156.0330       134.5718 
1 1 1 -16 10 8  o 454.1334 67.61302 5.982312       1.472251  6.188200       2.377913  5.854330       1.874802  454.3023 105.4224 453.9645 84.68881 0.3377686      135.2260 
1 1 1 -16 10 9  f 158.3661 51.88215 -1.093182      0.9886398 -1.685847      1.322985  -0.3436792     1.487774  137.3840 65.91032 179.3481 80.14275 -41.96404      103.7643 
1 1 1 -16 10 10 o 549.6563 47.46025 8.277301       1.292051  8.270898       1.790928  8.284251       1.865846  550.3615 65.56615 548.9511 68.63659 1.410400       94.92050 
1 1 1 -16 10 11 o 252.5160 62.49527 1.479365       1.178403  -0.7711818     1.856152  2.998905       1.525196  187.9998 86.17450 317.0323 90.53502 -129.0325      124.9905 
1 1 1 -16 10 12 o 275.2434 74.40401 1.528711       1.300497  3.773036       2.605960  0.7843968      1.500732  338.1860 120.6112 212.3008 87.15942 125.8852       148.8080 
1 1 1 -16 10 13 o 253.0402 66.06158 1.597540       1.064616  2.712642       1.885265  1.075458       1.289985  292.7491 102.7687 213.3313 83.03685 79.41780       132.1232 
1 1 1 -16 10 14 o 401.5168 65.02985 5.170439       1.286339  4.786552       1.969553  5.455993       1.698672  379.3460 100.8254 423.6877 82.15697 -44.34177      130.0597 
1 1 1 -16 10 15 f 371.8046 70.31953 4.658319       1.341873  4.600073       2.074269  4.700237       1.759687  362.5624 106.1896 381.0467 92.21230 -18.48425      140.6391 
1 1 1 -16 10 16 o 277.9573 73.25141 2.637902       1.436460  1.674405       2.225185  3.326294       1.880870  248.3051 104.3728 307.6096 102.8076 -59.30450      146.5028 
1 1 1 -16 10 17 o 232.5845 66.39476 0.9618298      1.389258  3.262139       1.974989  -1.291196      1.954585  294.8746 105.0168 170.2943 81.26824 124.5803       132.7895 
1 1 1 -16 11 1  o 697.7668 67.69590 13.66216       2.170350  13.36446       2.637234  14.28688       3.820416  699.8477 75.63518 695.6859 112.2954 4.161804       135.3918 
1 1 1 -16 11 2  o 772.3726 59.01500 17.08648       2.141981  19.43474       2.783618  13.67746       3.353907  853.0015 64.94589 691.7437 98.55513 161.2578       118.0300 
1 1 1 -16 11 3  o 239.6944 71.51407 -1.302763      1.520421  -3.167092      1.820389  2.997771       2.764803  148.1803 72.51277 331.2084 123.2840 -183.0281      143.0281 
1 1 1 -16 11 4  o 377.5805 73.79377 3.989381       1.442836  3.034197       1.828864  5.563830       2.348023  323.7522 100.7945 431.4087 107.8079 -107.6565      147.5875 
1 1 1 -16 11 5  o 372.1691 86.84723 4.378507       2.055469  1.741678       3.543795  5.715333       2.523278  311.3536 131.3393 432.9846 113.6651 -121.6310      173.6945 
1 1 1 -16 11 6  o 388.8818 88.76453 4.364885       1.709096  4.364885       1.709096  0.000000       0.000000  388.8818 88.76453 ?        ?        ?              ?        
1 1 1 -16 11 7  o 446.6323 77.46622 6.909053       1.702900  7.946272       1.968978  3.830455       3.392205  535.8913 74.59695 357.3734 135.7916 178.5179       154.9324 
1 1 1 -16 11 8  o 215.5901 64.18061 0.3281645      1.169911  1.283449       1.916281  -0.2394600     1.477146  249.8199 99.96281 181.3602 80.52353 68.45964       128.3612 
1 1 1 -16 11 9  o 462.5722 62.56920 6.169238       1.407068  6.975914       2.105000  5.517678       1.891818  490.6306 87.97701 434.5138 88.99250 56.11685       125.1384 
1 1 1 -16 11 10 o 333.4489 65.67645 3.293405       1.152799  2.735059       1.548996  3.986585       1.725924  303.0237 92.50052 363.8741 93.25900 -60.85034      131.3529 
1 1 1 -16 11 11 o 276.7145 70.54797 2.116673       1.251086  2.826632       1.970518  1.637221       1.619334  303.6184 105.1517 249.8107 94.08073 53.80777       141.0959 
1 1 1 -16 11 12 o 330.1790 70.24120 3.819708       1.492576  0.6271030      2.725083  5.187932       1.783963  247.0328 109.5412 413.3252 87.95474 -166.2924      140.4824 
1 1 1 -16 11 13 o 260.4951 66.64960 1.972005       1.252385  0.3748937      1.950867  3.091608       1.633398  211.9850 93.40535 309.0052 95.10056 -97.02019      133.2992 
1 1 1 -16 11 14 o 250.8625 61.04741 1.327070       1.258203  -1.987471      1.929356  3.779773       1.659675  162.5852 78.39722 339.1398 93.60033 -176.5546      122.0948 
1 1 1 -16 11 15 o 294.4017 71.38284 3.005959       1.372453  1.720908       2.087046  3.985095       1.821769  248.1540 102.4350 340.6494 99.44399 -92.49535      142.7657 
1 1 1 -16 11 16 o 208.3606 67.30075 -0.1621845     1.621532  -1.510345      2.257330  1.275187       2.330821  180.8046 86.56982 235.9166 103.0691 -55.11200      134.6015 
1 1 1 -16 12 1  o 553.7925 79.48938 10.05327       2.008664  11.41889       2.439316  7.176823       3.540227  643.2675 76.39542 464.3176 139.4202 178.9500       158.9788 
1 1 1 -16 12 2  o 231.0891 69.00783 0.1782480      1.516832  1.695010       1.962558  -2.071954      2.390422  267.6434 102.9048 194.5347 91.97242 73.10878       138.0157 
1 1 1 -16 12 3  o 439.3533 77.25920 6.477839       1.776845  7.954144       2.177287  3.534207       3.074465  531.2640 83.72270 347.4426 129.8709 183.8214       154.5184 
1 1 1 -16 12 4  o 312.7266 78.00024 2.734113       1.506981  2.465094       1.924123  3.160968       2.423717  296.6131 103.8394 328.8402 116.4196 -32.22708      156.0005 
1 1 1 -16 12 5  o 297.3524 84.16175 1.357740       1.819901  4.207824       3.346148  0.1605304      2.168709  367.2037 135.8357 227.5012 99.40559 139.7024       168.3235 
1 1 1 -16 12 6  o 302.6596 69.03200 2.656927       1.194187  2.567636       1.573864  2.778089       1.833349  297.3489 93.65635 307.9703 101.4404 -10.62140      138.0640 
1 1 1 -16 12 7  o 601.6597 73.95618 10.82417       2.090737  10.68299       2.625183  11.06901       3.457195  610.2468 87.47270 593.0725 119.2753 17.17432       147.9124 
1 1 1 -16 12 8  f 323.8523 71.99377 3.158076       1.298549  3.287106       2.060675  3.073091       1.672379  327.6371 107.5277 320.0675 95.76114 7.569641       143.9875 
1 1 1 -16 12 9  o 337.8460 66.28960 3.586956       1.226925  4.461995       1.593991  2.314832       1.921927  391.0284 83.08131 284.6637 103.3186 106.3647       132.5792 
1 1 1 -16 12 10 o 312.5129 72.06625 3.054371       1.331782  2.441175       2.019083  3.526610       1.771885  288.1193 105.6952 336.9064 97.99335 -48.78714      144.1325 
1 1 1 -16 12 11 o 218.1457 67.19656 -0.1321590     1.388196  -1.290260      1.747272  1.850093       2.285949  168.5552 79.36703 267.7362 108.4545 -99.18100      134.3931 
1 1 1 -16 12 12 o 357.4817 72.11454 4.255362       1.350046  4.197754       2.214111  4.289455       1.703320  347.0844 111.2739 367.8789 91.76141 -20.79449      144.2291 
1 1 1 -16 12 13 o 275.2489 66.79134 2.432808       1.252200  0.8137420      1.941125  3.586784       1.638776  220.4705 95.20168 330.0273 93.70686 -109.5568      133.5827 
1 1 1 -16 12 14 o 271.7949 70.41613 2.276782       1.395671  0.6274901      2.003819  3.830747       1.945048  215.2090 94.75287 328.3808 104.1903 -113.1718      140.8323 
1 1 1 -16 12 15 f 264.2201 64.01184 1.969809       1.325089  -1.061469      2.048471  4.150828       1.737587  180.0595 85.13234 348.3807 95.61668 -168.3212      128.0237 
1 1 1 -16 12 16 o 316.3214 91.09906 4.544001       2.159066  6.005214       4.064106  3.969449       2.548431  326.9290 139.3916 305.7137 117.3292 21.21533       182.1981 
1 1 1 -16 13 1  o 519.5393 78.27271 9.186650       1.923244  10.85849       2.353931  5.829691       3.335562  624.3732 76.03758 414.7055 136.8384 209.6677       156.5454 
1 1 1 -16 13 2  o 780.7309 56.49151 16.93431       2.094292  16.66518       2.597682  17.43409       3.539921  783.3554 66.11817 778.1064 91.61633 5.249023       112.9830 
1 1 1 -16 13 3  o 379.4781 82.56687 4.458205       1.682856  4.234364       2.073188  4.890588       2.881396  371.5215 105.3660 387.4347 127.1501 -15.91318      165.1337 
1 1 1 -16 13 4  o 280.2924 68.19406 2.115434       1.253405  3.232375       1.730552  0.8829874      1.817832  328.5810 97.20927 232.0038 95.66649 96.57713       136.3881 
1 1 1 -16 13 5  o 276.7245 96.65335 2.154056       1.666568  0.000000       0.000000  2.154056       1.666568  ?        ?        276.7245 96.65335 ?              ?        
1 1 1 -16 13 6  o 490.8489 80.06081 6.866781       1.920942  0.000000       0.000000  6.866781       1.920942  ?        ?        490.8489 80.06081 ?              ?        
1 1 1 -16 13 7  o 398.9252 76.99093 3.983415       1.720050  1.435511       2.094762  9.256850       3.013631  256.8576 103.8998 540.9929 113.6452 -284.1352      153.9819 
1 1 1 -16 13 8  o 185.8746 57.53573 0.6269073E-01  1.007894  0.2144619      1.264747  -0.2014307     1.668441  181.0330 77.48728 190.7162 85.07150 -9.683151      115.0715 
1 1 1 -16 13 9  o 277.0753 66.57686 1.691072       1.176167  0.3958836      1.461285  4.073728       1.981980  196.6896 83.71595 357.4610 103.5449 -160.7714      133.1537 
1 1 1 -16 13 10 o 461.8454 62.90873 6.415934       1.413037  7.931721       2.085438  5.129349       1.921310  518.6887 82.15319 405.0021 95.29369 113.6866       125.8175 
1 1 1 -16 13 11 f 531.5322 58.47517 8.428041       1.516272  9.148046       2.272441  7.850238       2.035703  550.6451 84.18955 512.4194 81.17575 38.22577       116.9503 
1 1 1 -16 13 12 o 263.9049 65.05624 2.073580       1.254223  -0.4151243E-01 1.952313  3.559964       1.636629  199.3130 90.19664 328.4968 93.77541 -129.1838      130.1125 
1 1 1 -16 13 13 o 311.1093 77.90751 2.529136       1.358626  6.440833       2.890473  1.419827       1.539263  395.0899 127.1887 227.1288 90.00754 167.9611       155.8150 
1 1 1 -16 13 14 o 258.6294 76.51511 2.089181       1.661807  2.242926       2.584660  1.980838       2.169722  264.0294 111.8139 253.2294 104.4792 10.79999       153.0302 
1 1 1 -16 13 15 o 294.5764 75.90833 2.994394       1.587287  1.151533       2.121237  5.339174       2.392731  225.5333 98.43488 363.6194 115.5806 -138.0861      151.8167 
1 1 1 -16 13 16 o 255.9188 78.44994 2.543238       1.898839  1.958845       2.913274  2.974877       2.503740  244.6039 110.4830 267.2338 111.4050 -22.62991      156.8999 
1 1 1 -16 14 1  o 849.8771 57.93541 21.34745       2.298290  16.94537       3.644782  24.25316       2.961209  754.1791 97.75824 945.5752 62.20430 -191.3961      115.8708 
1 1 1 -16 14 2  o 621.1433 66.66692 12.16181       1.853551  8.175568       2.914654  14.86863       2.401791  504.8178 116.4205 737.4689 64.99363 -232.6511      133.3338 
1 1 1 -16 14 3  o 271.7668 74.30803 1.881550       1.438113  1.663954       1.887647  2.182564       2.220177  259.1674 100.5668 284.3662 109.4214 -25.19885      148.6161 
1 1 1 -16 14 4  o 247.7163 69.05007 1.390756       1.268928  1.122603       1.697097  1.730746       1.910947  233.6071 93.86098 261.8256 101.3004 -28.21848      138.1001 
1 1 1 -16 14 5  o 526.5314 57.67819 8.033302       1.470686  7.450646       2.187996  8.513501       1.986328  502.6806 89.24353 550.3823 73.09369 -47.70175      115.3564 
1 1 1 -16 14 6  o 663.7562 65.38848 12.13636       2.168784  0.000000       0.000000  12.13636       2.168784  ?        ?        663.7562 65.38848 ?              ?        
1 1 1 -16 14 7  o 483.7816 77.10688 8.116707       1.643332  8.694833       1.874268  6.194782       3.417341  558.3885 67.68248 409.1747 138.5676 149.2137       154.2138 
1 1 1 -16 14 8  o 532.1824 54.98562 8.142111       1.421088  7.905005       1.867022  8.468676       2.191099  527.6182 71.75640 536.7466 83.33482 -9.128479      109.9712 
1 1 1 -16 14 9  o 209.1790 63.48619 0.3340977      1.248910  1.284647       1.763860  -0.6215663     1.768599  235.7992 95.35519 182.5589 83.84136 53.24030       126.9724 
1 1 1 -16 14 10 o 403.5440 80.00673 5.895817       1.667932  5.244102       3.110872  6.158751       1.975953  363.8931 131.5432 443.1950 91.10816 -79.30188      160.0135 
1 1 1 -16 14 11 o 282.7126 69.98452 2.701319       1.417232  0.4511383      2.388933  3.923341       1.760495  224.0307 100.7238 341.3944 97.19077 -117.3638      139.9690 
1 1 1 -16 14 12 o 189.8396 62.71252 -1.028185      1.587782  -4.183804      2.774287  0.5089234      1.936250  170.9551 84.75529 208.7241 92.45531 -37.76900      125.4250 
1 1 1 -16 14 13 o 195.4164 63.68620 -0.3666927     1.520287  -3.073006      2.797089  0.7680196      1.811174  180.9440 88.82117 209.8889 91.29364 -28.94495      127.3724 
1 1 1 -16 14 14 o 326.1758 78.85308 4.208873       1.578098  3.579385       2.192020  4.886182       2.273759  301.7493 110.2144 350.6022 112.8008 -48.85297      157.7062 
1 1 1 -16 14 15 o 210.7588 62.75843 0.8502846      1.308932  -1.697982      2.214559  2.218507       1.622718  171.3667 82.96808 250.1510 94.18481 -78.78433      125.5169 
1 1 1 -16 15 1  o 219.2652 95.37425 0.3943015      1.976797  0.000000       0.000000  0.3943015      1.976797  ?        ?        219.2652 95.37425 ?              ?        
1 1 1 -16 15 2  o 577.0251 66.45462 10.12750       1.845431  9.044920       2.747061  11.01789       2.491310  537.3120 104.7489 616.7383 81.80790 -79.42633      132.9092 
1 1 1 -16 15 3  o 508.6758 68.22173 7.781857       1.683281  9.885747       2.531287  6.113904       2.253834  576.7953 89.59028 440.5563 102.9097 136.2390       136.4435 
1 1 1 -16 15 4  o 554.5361 61.90650 9.194971       1.647203  10.97383       2.308412  7.349603       2.351170  621.1558 74.91788 487.9165 98.57469 133.2393       123.8130 
1 1 1 -16 15 5  o 529.5072 63.28775 8.399705       1.608653  8.306041       2.496313  8.466223       2.103698  518.2964 98.73981 540.7180 79.19475 -22.42157      126.5755 
1 1 1 -16 15 6  o 218.7943 71.64228 -0.4540106     1.326757  1.199680       3.389110  -0.7533144     1.441832  275.3408 122.1238 162.2478 74.94154 113.0930       143.2846 
1 1 1 -16 15 7  o 507.2767 78.48170 8.524738       1.715971  8.544607       1.962389  8.460193       3.536973  545.7629 72.84087 468.7904 139.0385 76.97253       156.9634 
1 1 1 -16 15 8  o 412.2484 69.66910 5.517702       1.439783  6.073632       1.989850  4.906828       2.085863  440.9068 92.11335 383.5901 104.5479 57.31677       139.3382 
1 1 1 -16 15 9  o 316.1089 78.97865 3.582748       1.617400  4.132943       2.086219  2.753813       2.560719  343.8312 107.7526 288.3866 115.4985 55.44461       157.9573 
1 1 1 -16 15 10 o 375.5853 80.60585 5.315767       1.692942  5.997990       2.329907  4.552704       2.464087  407.9355 110.2085 343.2352 117.6575 64.70035       161.2117 
1 1 1 -16 15 11 o 551.5427 58.12946 9.664358       1.507640  8.485188       2.356255  10.48176       1.961787  503.7557 95.89153 599.3297 65.73396 -95.57394      116.2589 
1 1 1 -16 15 12 o 287.1369 69.50488 3.024315       1.296872  1.864790       2.067188  3.776875       1.665369  245.3274 101.6619 328.9463 94.80803 -83.61890      139.0098 
1 1 1 -16 15 13 o 251.4892 73.28610 2.109577       1.440685  1.664573       2.924949  2.252119       1.655419  247.4158 111.3248 255.5626 95.34254 -8.146744      146.5722 
1 1 1 -16 15 14 o 402.8231 75.38875 6.528850       1.656387  4.595241       2.433253  8.198636       2.261171  322.6671 116.3843 482.9790 95.85693 -160.3120      150.7775 
1 1 1 -16 16 1  o 205.7605 67.17450 -0.5256386     1.566122  0.8499111E-01  1.843992  -2.106229      2.966741  202.8776 90.02803 208.6435 99.72266 -5.765915      134.3490 
1 1 1 -16 16 2  o 229.0316 76.40456 -2.204139      2.408434  0.8727047      3.378361  -5.383926      3.434412  266.4142 119.7795 191.6490 94.88673 74.76521       152.8091 
1 1 1 -16 16 3  o 350.1888 86.91673 3.348552       1.778634  7.477407       3.462675  1.868724       2.073014  437.6636 139.0333 262.7140 104.3447 174.9496       173.8335 
1 1 1 -16 16 4  o 471.1868 82.46212 8.373906       1.794561  8.877347       2.003061  6.326301       4.039646  555.5467 72.98420 386.8270 147.8963 168.7197       164.9242 
1 1 1 -16 16 5  o 191.9737 85.16873 0.3741782E-01  1.649335  0.000000       0.000000  0.3741782E-01  1.649335  ?        ?        191.9737 85.16873 ?              ?        
1 1 1 -16 16 6  o 159.2045 73.77315 -0.7342418     1.413899  0.000000       0.000000  -0.7342418     1.413899  ?        ?        159.2045 73.77315 ?              ?        
1 1 1 -16 16 7  o 467.8168 149.8912 9.724142       4.018043  9.724142       4.018043  0.000000       0.000000  467.8168 149.8912 ?        ?        ?              ?        
1 1 1 -16 16 8  o 228.7424 67.31432 1.236171       1.288579  1.072328       1.932103  1.367432       1.729359  226.5189 96.33356 230.9660 94.04637 -4.447113      134.6286 
1 1 1 -16 16 9  f 178.4695 59.02894 -0.7590002     1.297979  -0.3569445     2.040420  -1.032289      1.682236  192.8616 89.10607 164.0774 77.44527 28.78423       118.0579 
1 1 1 -16 16 10 o 402.8242 66.47335 5.892670       1.436348  3.217632       2.113434  8.188838       1.958058  291.4485 107.9252 514.1998 77.63359 -222.7514      132.9467 
1 1 1 -16 16 11 o 231.1233 67.50708 1.544094       1.258894  1.841443       2.012277  1.352877       1.613680  241.7507 100.2513 220.4960 90.43512 21.25468       135.0142 
1 1 1 -16 16 12 o 357.8308 72.56161 4.776547       1.366271  4.919073       2.200591  4.687146       1.742877  350.0914 110.7964 365.5703 93.72788 -15.47882      145.1232 
1 1 1 -16 16 13 o 345.0112 71.71649 5.366705       1.569454  2.443512       3.193889  6.297256       1.802027  255.6130 115.5479 434.4094 84.98057 -178.7964      143.4330 
1 1 1 -16 16 14 f 182.1081 85.65070 -0.2815878     2.024348  0.000000       0.000000  -0.2815878     2.024348  ?        ?        182.1081 85.65070 ?              ?        
1 1 1 -16 17 1  o 429.0691 70.82657 6.097717       1.512995  6.540276       2.112005  5.631162       2.168508  450.6584 95.53452 407.4798 104.5886 43.17853       141.6531 
1 1 1 -16 17 2  o 290.8027 76.52925 2.787532       1.505797  2.315214       2.035982  3.357853       2.237257  271.7998 104.7286 309.8055 111.6191 -38.00568      153.0585 
1 1 1 -16 17 3  o 246.6431 72.72540 1.552683       1.461140  2.126826       1.590106  -1.562266      3.703748  261.6766 94.11964 231.6095 110.8938 30.06714       145.4508 
1 1 1 -16 17 4  o 412.9519 97.15923 5.592705       1.997355  5.592705       1.997355  0.000000       0.000000  412.9519 97.15923 ?        ?        ?              ?        
1 1 1 -16 17 5  o 262.2491 80.61339 0.5959048      1.640501  5.077808       3.630422  -0.5540828     1.838961  341.1939 137.2130 183.3042 84.65613 157.8897       161.2268 
1 1 1 -16 17 6  o 473.3254 82.85753 8.308810       1.696659  8.606632       3.987183  8.242959       1.874875  419.0728 149.2177 527.5779 72.08018 -108.5052      165.7151 
1 1 1 -16 17 7  o 237.5466 67.23649 1.651321       1.224771  1.726404       1.640818  1.556851       1.840506  239.1742 93.49656 235.9189 96.65078 3.255295       134.4730 
1 1 1 -16 17 8  o 225.4457 71.96568 0.8104568      1.662200  0.7879114      2.013599  0.8586819      2.944967  214.8040 94.75850 236.0874 108.3377 -21.28337      143.9314 
1 1 1 -16 17 9  o 391.8257 78.30605 5.965359       1.629931  6.647132       2.343701  5.326754       2.268290  417.7277 109.4908 365.9237 111.9782 51.80392       156.6121 
1 1 1 -16 17 10 o 399.7112 70.94994 5.845810       1.439668  5.275961       2.033936  6.417974       2.038065  373.6804 103.8009 425.7419 96.75198 -52.06155      141.8999 
1 1 1 -16 17 11 o 342.5157 72.36523 4.214491       1.344695  6.199872       2.206994  3.042301       1.695815  400.4855 106.8661 284.5459 97.60403 115.9397       144.7305 
1 1 1 -16 17 12 o 202.0614 63.99961 -0.5095453E-01 1.291841  2.596951       2.269064  -1.320844      1.571370  256.0423 106.3397 148.0806 71.24371 107.9617       127.9992 
1 1 1 -16 17 13 o 237.1254 70.31187 2.116612       1.606454  -0.8931767     3.183455  3.144896       1.860747  200.2321 97.52777 274.0186 101.3083 -73.78651      140.6237 
1 1 1 -16 18 1  o 304.4965 75.94183 3.483536       1.498920  4.017936       1.950028  2.711820       2.343343  332.7384 104.1598 276.2546 110.5413 56.48380       151.8837 
1 1 1 -16 18 2  o 181.7086 58.86132 -0.2411006     1.207427  0.3822704      1.422366  -1.848895      2.284302  185.8199 80.86404 177.5973 85.55480 8.222580       117.7226 
1 1 1 -16 18 3  o 480.9824 60.28255 6.951538       1.378629  5.529475       1.726982  9.449848       2.289031  416.2224 84.83375 545.7424 85.66900 -129.5201      120.5651 
1 1 1 -16 18 4  o 308.5435 85.01516 3.732890       1.724867  3.718419       1.854961  3.825332       4.688465  320.8134 101.7446 296.2735 136.2290 24.53986       170.0303 
1 1 1 -16 18 5  o 310.1948 63.17998 3.346810       1.174634  4.859722       1.604739  1.600595       1.724036  387.5863 84.19047 232.8032 94.22741 154.7831       126.3600 
1 1 1 -16 18 6  o 309.1257 85.61689 3.255342       2.324487  -1.101415      3.200328  8.120249       3.381817  211.0877 101.5854 407.1638 137.8456 -196.0761      171.2338 
1 1 1 -16 18 7  o 254.1843 77.14216 0.5370472      1.645874  -1.356405      1.907302  6.058826       3.257105  165.1341 79.20084 343.2346 132.4042 -178.1005      154.2843 
1 1 1 -16 18 8  o 308.4575 91.97352 4.804464       2.504902  7.552341       3.781321  2.655665       3.343819  356.1388 141.0918 260.7762 118.0238 95.36261       183.9470 
1 1 1 -16 18 9  o 267.6234 77.81645 2.326555       1.504553  5.166618       2.989038  1.362785       1.741223  317.4424 125.5437 217.8043 91.98037 99.63805       155.6329 
1 1 1 -16 18 10 o 175.8874 58.03769 -0.4496523     1.267905  0.3969097      1.892717  -1.138796      1.707699  194.3773 88.29845 157.3976 75.34507 36.97972       116.0754 
1 1 1 -16 18 11 o 264.9495 79.32954 2.126639       1.517425  6.319870       3.355077  1.048318       1.701383  325.5138 131.5547 204.3852 88.69080 121.1286       158.6591 
1 1 1 -16 18 12 o 253.9469 77.63203 1.752755       1.448725  6.636640       3.361432  0.6386410      1.605486  320.5087 130.8815 187.3852 83.52821 133.1235       155.2641 
1 1 1 -16 19 1  o 183.0495 65.33766 -2.320795      1.415323  0.9443859      3.901448  -2.815615      1.518783  240.9932 114.9546 125.1058 62.14074 115.8874       130.6753 
1 1 1 -16 19 2  o 333.9434 71.10600 4.321893       1.307621  4.535826       1.601928  3.894707       2.263664  364.3917 87.85840 303.4951 111.8264 60.89658       142.2120 
1 1 1 -16 19 3  o 469.9911 89.63264 9.254576       1.917964  8.673336       2.115640  11.93615       4.544217  513.4210 84.32060 426.5611 158.1963 86.85992       179.2653 
1 1 1 -16 19 4  o 300.9410 71.72684 3.435510       1.370053  2.094918       1.874547  4.972797       2.007361  243.9772 98.42796 357.9048 104.3594 -113.9276      143.4537 
1 1 1 -16 19 5  o 420.7983 59.83475 5.931299       1.230319  6.411799       1.764537  5.476693       1.716333  441.0485 82.04386 400.5480 87.11829 40.50046       119.6695 
1 1 1 -16 19 6  o 328.2616 69.76491 4.033844       1.361884  6.265210       2.042043  2.246286       1.827720  410.1620 99.38287 246.3611 97.93679 163.8010       139.5298 
1 1 1 -16 19 7  o 260.7148 77.67742 2.896409       1.709354  2.233008       3.820230  3.062477       1.911367  247.6727 116.8431 273.7570 102.3856 -26.08424      155.3548 
1 1 1 -16 19 8  o 208.9063 65.25653 0.8232838      1.486161  2.123135       1.860014  -1.471678      2.471481  239.0641 97.46064 178.7485 86.80485 60.31561       130.5131 
1 1 1 -16 19 9  o 180.5456 63.02909 -1.188806      1.564120  -1.015842      1.700617  -2.138370      3.984661  157.3468 75.28595 203.7444 101.1073 -46.39760      126.0582 
1 1 1 -16 19 10 o 244.0346 72.89902 2.455547       1.735406  3.617924       2.090239  -0.1232709     3.113384  282.3389 106.7583 205.7303 99.29619 76.60857       145.7980 
1 1 1 -16 19 11 o 223.5006 68.39080 1.914624       1.521880  -1.058073      3.589804  2.565971       1.680358  198.7366 98.14216 248.2647 95.27499 -49.52811      136.7816 
1 1 1 -16 20 1  o 180.3770 58.65773 0.3287840E-01  1.164385  -0.4654687     1.443421  0.9613961      1.970253  155.8757 72.99518 204.8783 91.84019 -49.00256      117.3155 
1 1 1 -16 20 2  o 263.9276 81.34203 1.051419       1.733656  8.818490       3.776963  -1.021818      1.951365  361.2501 141.6772 166.6051 79.96043 194.6450       162.6841 
1 1 1 -16 20 3  o 171.7833 56.07357 -0.5428631E-01 1.134022  0.8709622E-01  1.496083  -0.2452211     1.738603  171.0430 78.00866 172.5236 80.57064 -1.480576      112.1471 
1 1 1 -16 20 4  o 184.0434 57.07244 0.6369038      1.001844  0.6045661      1.285226  0.6869829      1.599387  178.2234 77.21118 189.8634 84.06834 -11.64008      114.1449 
1 1 1 -16 20 5  o 182.1310 56.26267 0.6123329      0.9952781 0.9733214      1.342713  0.1721174      1.482755  192.1495 80.93861 172.1124 78.17220 20.03714       112.5253 
1 1 1 -16 20 6  o 274.4062 70.15341 2.953386       1.377073  4.965193       2.025783  1.225137       1.877599  340.1647 106.1114 208.6477 91.79533 131.5170       140.3068 
1 1 1 -16 20 7  f 293.6308 79.81301 4.269102       1.636620  4.758676       3.967069  4.168686       1.796639  269.3542 124.3766 317.9075 100.0547 -48.55331      159.6260 
1 1 1 -16 20 8  o 263.3674 76.93638 3.382071       1.673417  3.492302       2.174143  3.221847       2.621197  271.5304 107.1712 255.2044 110.4136 16.32599       153.8728 
1 1 1 -16 20 9  o 210.7506 62.41889 1.142483       1.300079  -1.176342      1.978418  2.904807       1.724753  161.5702 78.27405 259.9310 97.25042 -98.36078      124.8378 
1 1 1 -16 20 10 o 209.0653 65.33877 1.556853       1.374652  1.025524       2.236985  1.879235       1.742474  200.2305 92.78763 217.9001 92.01671 -17.66956      130.6775 
1 1 1 -16 21 1  o 242.6019 71.43415 2.601810       1.385442  2.624758       1.525687  2.493926       3.308099  253.0349 92.02114 232.1689 109.2861 20.86600       142.8683 
1 1 1 -16 21 2  o 303.5238 72.67187 4.175336       1.346251  4.462795       1.808617  3.818179       2.015993  323.5072 100.1557 283.5404 105.3263 39.96677       145.3437 
1 1 1 -16 21 3  o 223.8848 61.78582 1.227850       1.209867  -1.036885      1.655912  3.821265       1.772003  151.3405 72.89055 296.4291 99.78436 -145.0886      123.5716 
1 1 1 -16 21 4  o 266.5297 68.86771 3.028167       1.193411  2.778890       1.538454  3.404809       1.891074  260.1184 92.68184 272.9410 101.8878 -12.82266      137.7354 
1 1 1 -16 21 5  o 142.3156 49.14645 -1.355868      1.081371  -1.694027      1.939880  -1.203414      1.302518  152.8275 74.80131 131.8036 63.76724 21.02390       98.29291 
1 1 1 -16 21 6  o 219.0488 66.28235 1.218818       1.321075  3.780082       2.183913  -0.2592471     1.659033  273.4807 107.5798 164.6168 77.45950 108.8639       132.5647 
1 1 1 -16 21 7  o 197.9529 64.85980 0.7812981      1.646965  -3.702806      3.831285  1.797749       1.824104  179.9267 90.67149 215.9791 92.76775 -36.05238      129.7196 
1 1 1 -16 21 8  o 173.1723 58.74278 -0.3301848     1.482425  0.1941584      1.837016  -1.309152      2.510090  175.6964 82.29970 170.6482 83.84282 5.048203       117.4856 
1 1 1 -16 21 9  o 212.8721 66.52034 1.975282       1.458370  1.080219       2.330371  2.551488       1.869765  195.6110 91.96788 230.1333 96.13392 -34.52228      133.0407 
1 1 1 -16 22 1  o 279.4302 81.34406 3.484527       1.374533  2.707769       1.459656  9.567552       4.084769  251.0921 90.19070 307.7682 135.3996 -56.67615      162.6881 
1 1 1 -16 22 2  o 160.3584 52.26223 -0.2809041     1.083271  1.071941       1.401636  -2.287629      1.707085  187.3136 80.89085 133.4031 66.19691 53.91051       104.5245 
1 1 1 -16 22 3  o 194.0322 58.15743 0.9692495      0.9639224 0.2113195      1.193677  2.389871       1.634223  155.5741 70.45409 232.4902 92.54928 -76.91609      116.3149 
1 1 1 -16 22 4  o 209.4567 62.37323 1.735584       1.135780  1.460873       1.719878  1.948042       1.512502  201.2741 88.21930 217.6394 88.19884 -16.36530      124.7465 
1 1 1 -16 22 5  o 180.6628 59.14557 0.3391364      1.156686  1.956223       2.111517  -0.3541762     1.382587  212.8060 95.25714 148.5195 70.13467 64.28658       118.2911 
1 1 1 -16 22 6  o 318.4991 62.43688 4.620914       1.310055  1.774610       1.943491  6.991199       1.773544  206.6311 92.01936 430.3671 84.41501 -223.7360      124.8738 
1 1 1 -16 22 7  o 316.1097 77.44244 6.911843       1.870660  5.788379       4.158309  7.196890       2.094573  238.6241 115.0702 393.5952 103.6734 -154.9711      154.8849 
1 1 1 -16 22 8  o 205.1230 66.77002 2.135179       1.608279  2.526546       2.225605  1.707465       2.326658  213.1706 96.40025 197.0755 92.41177 16.09511       133.5400 
1 1 1 -16 23 1  o 161.9077 58.33923 -1.102718      1.266276  -1.486921      1.338194  2.186264       3.915341  123.2040 60.66648 200.6113 99.66664 -77.40736      116.6785 
1 1 1 -16 23 2  o 153.7504 51.15142 0.8555380E-01  0.9617535 0.1994060      1.132066  -0.2097593     1.823234  147.8863 67.60662 159.6146 76.78031 -11.72830      102.3028 
1 1 1 -16 23 3  o 195.7625 58.66378 1.364001       1.000893  0.5590528      1.277910  2.641406       1.609833  162.1995 73.22623 229.3254 91.67155 -67.12584      117.3276 
1 1 1 -16 23 4  o 191.0505 66.08115 1.239807       1.860077  1.089232       2.012363  2.123231       4.874324  183.5202 86.01979 198.5808 100.3368 -15.06061      132.1623 
1 1 1 -16 23 5  o 261.6659 66.03046 3.410448       1.499842  -0.4511372     2.195740  6.788206       2.053583  161.8703 79.30241 361.4614 105.5993 -199.5911      132.0609 
1 1 1 -15 0  1  o 1675.460 62.62999 72.69171       7.465074  72.69171       7.465074  72.69171       7.465074  1675.460 88.57218 1675.460 88.57218 0.000000       0.000000 
1 1 1 -15 0  2  f 1019.847 58.55910 27.17745       4.211040  27.17745       4.211040  27.17745       4.211040  1019.847 82.81508 1019.847 82.81508 0.000000       0.000000 
1 1 1 -15 0  3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -15 0  5  o 749.6287 46.36194 14.67549       2.444533  14.67549       2.444533  14.67549       2.444533  749.6287 65.56569 749.6287 65.56569 0.000000       0.000000 
1 1 1 -15 0  6  o 360.4095 75.00675 4.102103       1.681994  4.102103       1.681994  4.102103       1.681994  360.4095 106.0756 360.4095 106.0756 -0.000000      0.000000 
1 1 1 -15 0  7  o 753.7252 40.81890 14.75586       2.173076  14.75586       2.173076  14.75586       2.173076  753.7252 57.72664 753.7252 57.72664 0.000000       0.000000 
1 1 1 -15 0  8  o 69.26718 35.66457 -2.282887      1.024263  -2.282887      1.024263  -2.282887      1.024263  69.26718 50.43732 69.26718 50.43732 -0.000000      0.000000 
1 1 1 -15 0  9  o 939.2618 38.00922 22.79036       2.536927  22.79036       2.536927  22.79036       2.536927  939.2618 53.75316 939.2618 53.75316 -0.000000      0.000000 
1 1 1 -15 0  10 o 171.6536 67.80437 1.074064       1.244932  1.074064       1.244932  1.074064       1.244932  171.6536 95.88985 171.6536 95.88985 -0.000000      0.000000 
1 1 1 -15 0  11 o 326.1588 77.09209 3.603049       1.605365  3.603049       1.605365  3.603049       1.605365  326.1588 109.0247 326.1588 109.0247 -0.000000      0.000000 
1 1 1 -15 0  12 o 183.3058 80.96157 0.7862370      2.174812  0.7862370      2.174812  0.7862370      2.174812  183.3058 114.4969 183.3058 114.4969 -0.000000      0.000000 
1 1 1 -15 0  13 o 196.6661 87.58924 0.9427587      2.603171  0.9427587      2.603171  0.9427587      2.603171  196.6661 123.8699 196.6661 123.8699 0.000000       0.000000 
1 1 1 -15 0  14 o 458.4874 63.97232 6.217229       1.867403  6.217229       1.867403  6.217229       1.867403  458.4874 90.47052 458.4874 90.47052 -0.000000      0.000000 
1 1 1 -15 0  15 o 494.7986 56.58494 7.039578       1.847347  7.039578       1.847347  7.039578       1.847347  494.7986 80.02319 494.7986 80.02319 -0.000000      0.000000 
1 1 1 -15 0  16 o 81.69937 41.94555 -2.622844      1.360437  -2.622844      1.360437  -2.622844      1.360437  81.69937 59.31996 81.69937 59.31996 -0.000000      0.000000 
1 1 1 -15 0  17 o 677.0168 49.75271 12.96836       2.352008  12.96836       2.352008  12.96836       2.352008  677.0168 70.36095 677.0168 70.36095 -0.000000      0.000000 
1 1 1 -15 0  18 o 613.2659 52.87687 10.97034       2.229549  10.97034       2.229549  10.97034       2.229549  613.2659 74.77918 613.2659 74.77918 -0.000000      0.000000 
1 1 1 -15 0  19 f 163.2567 79.60123 -0.6187128E-04 3.101769  -0.6187128E-04 3.101769  -0.6187128E-04 3.101769  163.2567 112.5731 163.2567 112.5731 -0.000000      0.000000 
1 1 1 -15 1  1  o 1026.968 83.21591 27.52713       4.289401  0.000000       0.000000  27.52713       4.289401  ?        ?        1026.968 83.21591 ?              ?        
1 1 1 -15 1  2  o 788.3841 60.88064 16.03350       2.411144  0.000000       0.000000  16.03350       2.411144  ?        ?        788.3841 60.88064 ?              ?        
1 1 1 -15 1  3  o 1007.508 51.06382 27.05344       2.417282  24.02220       4.093852  28.67599       2.995161  958.1363 85.28766 1056.880 56.17892 -98.74359      102.1276 
1 1 1 -15 1  4  o 900.4915 50.10020 20.23755       2.206496  17.76882       2.764033  24.57469       3.663603  828.5137 66.45539 972.4692 74.99200 -143.9555      100.2004 
1 1 1 -15 1  5  o 1347.335 58.51418 47.26437       3.964828  43.54073       5.500193  51.29231       5.720521  1291.099 84.61422 1403.571 80.84597 -112.4718      117.0284 
1 1 1 -15 1  6  o 1099.980 46.29822 29.60027       2.426048  36.47262       4.352163  26.50208       2.922172  1185.185 72.88628 1014.776 57.11120 170.4089       92.59644 
1 1 1 -15 1  7  o 759.3540 40.57320 14.90772       1.546708  15.57830       2.182968  14.23170       2.191809  777.0027 55.86628 741.7053 58.85319 35.29749       81.14640 
1 1 1 -15 1  8  o 852.5206 37.73582 18.74955       1.619476  17.99812       2.288369  19.50350       2.292205  835.0237 54.42827 870.0176 52.28319 -34.99396      75.47164 
1 1 1 -15 1  9  o 529.9803 48.03550 7.482461       1.238053  6.119391       1.751747  8.842812       1.749998  478.3441 74.78342 581.6165 60.30816 -103.2724      96.07099 
1 1 1 -15 1  10 o 394.3014 54.69119 4.307034       1.049493  2.833158       1.475294  5.817077       1.493285  320.3208 88.18302 468.2820 64.71677 -147.9611      109.3824 
1 1 1 -15 1  11 o 317.9973 54.86532 2.748851       1.052133  5.057071       1.453142  0.2054820      1.525366  433.8052 68.43386 202.1895 85.77657 231.6158       109.7306 
1 1 1 -15 1  12 o 1103.068 55.22704 32.75169       3.062747  32.76132       4.268266  32.74146       4.397375  1104.293 76.82387 1101.843 79.36119 2.450439       110.4541 
1 1 1 -15 1  13 o 501.4910 69.55457 7.417448       1.482399  6.713162       2.961364  7.652936       1.712389  468.6055 123.1960 534.3766 64.60724 -65.77112      139.1091 
1 1 1 -15 1  14 o 535.6980 54.57027 7.831592       1.403352  10.26405       2.096431  5.856648       1.889014  616.0555 68.36978 455.3404 85.07192 160.7151       109.1405 
1 1 1 -15 1  15 o 304.1755 69.43164 2.593693       1.258838  1.649421       1.728750  3.659553       1.836679  258.3802 97.22689 349.9709 99.14606 -91.59076      138.8633 
1 1 1 -15 1  16 o 265.8397 67.69161 1.949724       1.173489  1.580697       1.679965  2.301355       1.639890  250.5415 95.47419 281.1379 95.98591 -30.59637      135.3832 
1 1 1 -15 1  17 o 333.6244 68.43189 3.194200       1.382366  1.082594       1.850654  5.859447       2.079158  233.5695 96.44072 433.6793 97.11274 -200.1097      136.8638 
1 1 1 -15 1  18 o 330.8820 77.06351 3.715037       1.529381  2.938455       2.362558  4.275200       2.006534  301.5459 113.6237 360.2182 104.1383 -58.67224      154.1270 
1 1 1 -15 1  19 o 294.0181 85.23921 2.535533       2.034819  1.228563       2.662188  4.371956       3.155675  252.0847 110.1419 335.9515 130.1217 -83.86678      170.4784 
1 1 1 -15 2  1  o 417.3859 97.25922 4.735311       2.017110  0.000000       0.000000  4.735311       2.017110  ?        ?        417.3859 97.25922 ?              ?        
1 1 1 -15 2  2  o 1063.956 57.82146 29.08636       3.102862  0.000000       0.000000  29.08636       3.102862  ?        ?        1063.956 57.82146 ?              ?        
1 1 1 -15 2  3  o 622.1176 66.67561 10.68572       1.821393  9.409466       3.311303  11.23937       2.180970  586.3951 115.6477 657.8400 66.39392 -71.44482      133.3512 
1 1 1 -15 2  4  o 794.8763 43.41199 16.33027       1.731475  15.69812       2.469099  16.94194       2.428751  779.1929 63.13345 810.5598 59.60345 -31.36694      86.82398 
1 1 1 -15 2  5  o 1065.402 49.86458 28.02080       2.466308  25.99019       2.919756  33.07814       4.607810  1005.089 57.62017 1125.716 81.39915 -120.6269      99.72916 
1 1 1 -15 2  6  o 341.2318 74.62218 3.336597       1.490924  4.272081       1.716868  0.4675326      3.006692  397.0298 87.74960 285.4337 120.7223 111.5962       149.2444 
1 1 1 -15 2  7  o 372.4809 67.88084 3.566506       1.205658  3.187358       1.436648  4.469490       2.217105  342.6483 83.56570 402.3136 106.9953 -59.66531      135.7617 
1 1 1 -15 2  8  f 488.9669 66.28567 6.747504       1.448281  5.894486       2.637487  7.115745       1.732917  458.1103 114.1381 519.8234 67.43632 -61.71313      132.5713 
1 1 1 -15 2  9  o 395.2120 69.44664 4.621968       1.342809  3.284514       2.434475  5.206809       1.609847  350.1507 116.9633 440.2734 74.90618 -90.12271      138.8933 
1 1 1 -15 2  10 o 200.1399 55.43290 0.5193183      0.8546659 -0.1622191     1.185272  1.257485       1.233532  168.4943 73.55921 231.7854 82.94736 -63.29111      110.8658 
1 1 1 -15 2  11 o 276.9599 64.69930 2.017812       1.059551  2.339586       1.516394  1.710847       1.481091  292.9211 91.87683 260.9987 91.11884 31.92245       129.3986 
1 1 1 -15 2  12 o 370.6839 72.13035 4.125778       1.618161  0.9077371      2.555231  6.280412       2.090842  268.3217 112.2597 473.0461 90.60306 -204.7245      144.2607 
1 1 1 -15 2  13 o 591.7805 63.58681 9.553020       1.681757  10.46221       3.128788  9.183609       1.994360  599.8314 106.9519 583.7295 68.80715 16.10193       127.1736 
1 1 1 -15 2  14 o 982.8761 51.35251 25.43694       2.310156  24.38857       2.733029  28.06044       4.323424  961.0525 56.41855 1004.700 85.82114 -43.64728      102.7050 
1 1 1 -15 2  15 o 508.7866 57.82421 7.395533       1.420647  8.336949       1.958000  6.349004       2.064416  549.7095 72.09323 467.8637 90.42744 81.84579       115.6484 
1 1 1 -15 2  16 o 285.6356 65.27998 1.951331       1.214642  4.215672       1.857688  0.2603911      1.605336  370.4479 97.66328 200.8232 86.64748 169.6248       130.5600 
1 1 1 -15 2  17 o 392.7555 71.50460 4.923708       1.430747  4.828877       2.024728  5.018288       2.022039  388.3355 101.7585 397.1754 100.4831 -8.839966      143.0092 
1 1 1 -15 2  18 o 194.3979 63.09644 -0.7108559     1.434456  0.1465087      2.024745  -1.574828      2.032532  211.4823 94.06832 177.3135 84.11774 34.16881       126.1929 
1 1 1 -15 2  19 o 284.5825 83.02423 2.471096       2.023166  3.495620       2.594937  0.8829182      3.230838  312.7867 118.7868 256.3784 116.0249 56.40826       166.0485 
1 1 1 -15 3  1  o 709.5555 52.85175 13.29185       1.759387  8.460838       2.406184  18.84218       2.579105  564.1374 87.04922 854.9736 59.96384 -290.8362      105.7035 
1 1 1 -15 3  2  o 894.2781 56.48088 21.39485       2.349686  19.36128       4.034295  22.43882       2.890561  855.5981 94.72459 932.9582 61.54357 -77.36011      112.9618 
1 1 1 -15 3  3  o 407.2603 77.69321 4.075201       1.528249  5.955580       2.856459  3.321105       1.808916  463.8790 120.5329 350.6417 98.06501 113.2373       155.3864 
1 1 1 -15 3  4  o 460.1047 74.12746 5.283455       1.580005  7.337662       2.927474  4.439133       1.876831  515.9791 115.0045 404.2302 93.56007 111.7489       148.2549 
1 1 1 -15 3  5  o 1034.865 50.05262 26.84218       2.398270  25.46120       2.846175  30.22359       4.453662  994.8126 56.74664 1074.917 82.46745 -80.10400      100.1052 
1 1 1 -15 3  6  o 630.2634 58.97769 9.070489       1.659130  7.383942       1.910564  14.24303       3.345911  529.2029 73.27718 731.3240 92.43336 -202.1210      117.9554 
1 1 1 -15 3  7  o 389.4980 60.51521 4.206090       1.169485  5.255858       1.613620  3.044540       1.697359  444.1559 74.39064 334.8401 95.46935 109.3159       121.0304 
1 1 1 -15 3  8  o 254.5537 56.46116 1.256943       0.9853172 3.106517       1.399346  -0.5617798     1.387626  337.4119 82.58688 171.6954 77.01207 165.7165       112.9223 
1 1 1 -15 3  9  o 538.7880 56.82904 7.617964       1.430223  7.219482       1.752936  8.411450       2.473614  522.2028 67.91171 555.3732 91.13812 -33.17041      113.6581 
1 1 1 -15 3  10 o 694.9766 50.71725 12.53604       1.679980  11.87554       2.067988  13.81792       2.880938  672.7066 61.39753 717.2465 80.74220 -44.53986      101.4345 
1 1 1 -15 3  11 o 220.5829 66.49174 0.2155699      1.321679  -1.134520      2.272335  0.9058278      1.624787  209.4647 95.76743 231.7011 92.26704 -22.23640      132.9835 
1 1 1 -15 3  12 o 217.5523 68.21298 -0.3729098     1.506626  -1.026500      2.239660  0.1673369      2.036222  208.7141 95.28885 226.3904 97.63236 -17.67630      136.4260 
1 1 1 -15 3  13 o 770.4507 56.42872 15.64546       2.185732  0.000000       0.000000  15.64546       2.185732  ?        ?        770.4507 56.42872 ?              ?        
1 1 1 -15 3  14 o 263.5073 74.64041 0.9773751      1.310818  0.4422758      1.492171  2.786104       2.743394  205.0322 85.78403 321.9824 122.1715 -116.9501      149.2808 
1 1 1 -15 3  15 o 328.1616 68.04849 3.231701       1.210449  3.550419       1.600926  2.806314       1.849525  347.3749 90.22314 308.9483 101.8929 38.42667       136.0970 
1 1 1 -15 3  16 o 236.0198 66.15842 0.9822946      1.246007  2.202590       1.787487  -0.1711068     1.737804  277.0759 99.77647 194.9636 86.90454 82.11229       132.3168 
1 1 1 -15 3  17 o 278.7141 68.92777 2.347844       1.289115  0.9839019      2.044291  3.248259       1.660987  235.9034 99.64619 321.5247 95.26169 -85.62128      137.8555 
1 1 1 -15 3  18 o 491.4479 66.51031 7.562915       1.588303  6.301029       2.255267  8.804708       2.237240  440.3135 103.0029 542.5822 84.17172 -102.2687      133.0206 
1 1 1 -15 3  19 o 677.8094 64.94482 13.88282       2.131502  17.57085       3.414905  11.52890       2.728204  749.1998 91.96304 606.4190 91.72850 142.7808       129.8896 
1 1 1 -15 4  1  o 868.3493 45.60236 19.49540       1.986966  18.05875       2.780150  20.99543       2.840820  834.9616 66.31455 901.7370 62.61533 -66.77539      91.20471 
1 1 1 -15 4  2  o 870.8971 44.63080 19.61602       1.952174  20.34173       2.735387  18.86271       2.786918  887.9302 61.22350 853.8640 64.95627 34.06616       89.26160 
1 1 1 -15 4  3  o 458.3667 74.26394 5.611107       1.528782  5.963331       2.996299  5.487142       1.777567  463.1735 124.9156 453.5598 80.35320 9.613647       148.5279 
1 1 1 -15 4  4  o 252.6744 73.82413 0.6763488      1.380869  0.6367778      2.723080  0.6900468      1.602143  278.2088 116.0984 227.1400 91.22038 51.06888       147.6483 
1 1 1 -15 4  5  o 603.1581 55.23511 9.695238       1.588397  9.158052       2.553704  10.03420       2.028555  585.6816 88.91875 620.6345 65.55246 -34.95282      110.4702 
1 1 1 -15 4  6  o 480.4658 74.57024 5.707264       1.519719  5.176767       1.714147  7.655890       3.285267  439.4662 79.99094 521.4654 125.8743 -81.99918      149.1405 
1 1 1 -15 4  7  o 274.5619 59.40896 2.012967       0.9434906 2.639317       1.232838  1.127548       1.465790  312.0387 78.19609 237.0851 89.45988 74.95354       118.8179 
1 1 1 -15 4  8  o 291.7435 65.68722 1.711634       1.156822  0.4694773      1.449390  3.891716       1.920143  209.0016 85.71288 374.4854 99.56176 -165.4838      131.3744 
1 1 1 -15 4  9  o 1079.693 38.25824 30.16098       2.085408  28.70420       2.947713  31.62074       2.950715  1052.310 55.52619 1107.076 52.64611 -54.76550      76.51647 
1 1 1 -15 4  10 o 366.7105 60.11673 3.740011       1.096436  3.364556       1.560698  4.105899       1.540685  347.3079 88.50443 386.1131 81.38212 -38.80518      120.2335 
1 1 1 -15 4  11 o 408.2547 75.13593 4.766820       1.611140  3.291501       2.217186  6.417408       2.345192  342.0266 111.5019 474.4828 100.7421 -132.4562      150.2719 
1 1 1 -15 4  12 o 352.9480 70.42150 3.167501       1.394445  1.476812       1.788398  5.789342       2.227078  258.1676 98.47683 447.7284 100.6929 -189.5608      140.8430 
1 1 1 -15 4  13 o 454.1192 113.1764 6.209362       2.592695  0.000000       0.000000  6.209362       2.592695  ?        ?        454.1192 113.1764 ?              ?        
1 1 1 -15 4  14 o 593.1241 73.72810 10.42105       2.121001  9.169732       3.040257  11.60752       2.960432  550.5364 112.8689 635.7119 94.88917 -85.17548      147.4562 
1 1 1 -15 4  15 o 237.0073 59.76506 0.2593162      1.088682  3.295466       1.763954  -1.608785      1.383649  331.2857 98.17374 142.7289 68.18626 188.5568       119.5301 
1 1 1 -15 4  16 o 328.7751 71.31491 3.382356       1.345529  2.393521       1.940667  4.297730       1.867189  285.5028 103.7908 372.0474 97.83009 -86.54459      142.6298 
1 1 1 -15 4  17 o 244.1186 65.53336 1.579449       1.136536  1.060452       1.663539  2.033755       1.556413  225.6014 92.09332 262.6359 93.25933 -37.03447      131.0667 
1 1 1 -15 4  18 o 295.5771 67.84592 2.538707       1.349619  0.4315952      1.917117  4.608995       1.900292  213.6734 93.41013 377.4809 98.42165 -163.8074      135.6918 
1 1 1 -15 4  19 o 217.5412 67.88910 0.2493429      1.578558  -2.398862      2.732472  1.575876       1.933922  191.3645 92.52711 243.7180 99.37029 -52.35342      135.7782 
1 1 1 -15 5  1  o 333.3514 68.54628 2.921551       1.298009  1.570345       1.847057  4.239921       1.824475  271.9865 100.8598 394.7163 92.85297 -122.7298      137.0926 
1 1 1 -15 5  2  o 1169.041 40.42240 35.06285       2.392210  35.11289       3.362912  35.01159       3.403647  1169.992 56.77394 1168.090 57.55520 1.901733       80.84480 
1 1 1 -15 5  3  o 533.1574 54.60969 7.400405       1.412863  8.219297       2.220531  6.843371       1.831404  556.8651 81.14837 509.4498 73.10141 47.41525       109.2194 
1 1 1 -15 5  4  o 860.7754 53.59823 18.76520       2.125271  20.88831       3.936505  17.89177       2.524864  889.4537 88.59760 832.0970 60.34521 57.35669       107.1965 
1 1 1 -15 5  5  o 357.2622 64.10011 4.073953       1.459832  -1.799997      2.846504  6.170257       1.700489  231.3241 106.2844 483.2003 71.68629 -251.8762      128.2002 
1 1 1 -15 5  6  f 732.3865 53.86769 11.65074       1.751567  9.077044       1.995938  20.27296       3.653234  588.3842 68.27325 876.3887 83.34071 -288.0046      107.7354 
1 1 1 -15 5  7  o 1354.220 50.05562 48.57410       3.161271  49.97151       3.841921  45.64436       5.562889  1393.569 54.45479 1314.870 84.00557 78.69946       100.1112 
1 1 1 -15 5  8  o 847.4722 38.96732 18.67816       1.655276  19.70270       2.281574  17.53965       2.405137  873.3127 51.83588 821.6317 58.19665 51.68097       77.93464 
1 1 1 -15 5  9  o 396.7070 56.87118 4.320400       1.100058  4.114960       1.616036  4.497794       1.501684  386.1985 84.96066 407.2155 75.62413 -21.01706      113.7424 
1 1 1 -15 5  10 o 522.7920 49.06281 7.315879       1.264970  7.026119       1.799625  7.598857       1.778438  511.5826 71.43225 534.0013 67.27606 -22.41864      98.12561 
1 1 1 -15 5  11 o 690.2865 54.66185 13.10937       1.771895  13.70132       2.219120  12.06812       2.943162  720.3445 61.43677 660.2285 90.42785 60.11609       109.3237 
1 1 1 -15 5  12 o 558.2361 65.05108 9.034934       1.488001  8.181693       3.009336  9.311054       1.711921  523.1842 116.5946 593.2880 57.72575 -70.10376      130.1022 
1 1 1 -15 5  13 o 749.1777 59.18207 14.89781       2.226425  0.000000       0.000000  14.89781       2.226425  ?        ?        749.1777 59.18207 ?              ?        
1 1 1 -15 5  14 o 427.8903 68.67948 5.427064       1.429142  5.550298       1.832032  5.235496       2.284171  440.9143 85.15503 414.8664 107.7780 26.04791       137.3590 
1 1 1 -15 5  15 o 194.0546 64.44225 -1.385726      1.345684  -1.775026      1.552724  -0.2109476     2.697308  150.6554 72.04502 237.4539 106.8678 -86.79846      128.8845 
1 1 1 -15 5  16 o 549.7208 64.83189 9.128495       1.662747  8.772860       2.743942  9.334863       2.090224  526.1185 106.6675 573.3231 73.72076 -47.20453      129.6638 
1 1 1 -15 5  17 o 470.8894 74.53169 7.203112       1.662145  7.256807       2.859980  7.175726       2.042501  453.3412 121.9473 488.4375 85.72489 -35.09631      149.0634 
1 1 1 -15 5  18 o 377.7697 81.82595 4.945445       1.682392  4.386073       2.156841  5.814647       2.688612  357.1284 109.1769 398.4110 121.9112 -41.28259      163.6519 
1 1 1 -15 5  19 o 331.2828 80.87859 4.216533       1.727166  2.970350       2.885450  4.912338       2.156087  291.0806 120.3232 371.4850 108.1097 -80.40439      161.7572 
1 1 1 -15 6  1  o 421.4393 62.06961 5.306100       1.403504  8.682432       1.890322  1.158420       2.095154  576.5737 65.94467 266.3049 105.1753 310.2688       124.1392 
1 1 1 -15 6  2  o 351.6588 70.14932 3.296194       1.285399  2.978413       1.663174  3.767560       2.025595  331.9859 94.45021 371.3317 103.7442 -39.34573      140.2986 
1 1 1 -15 6  3  o 290.2037 71.30263 2.030874       1.272311  2.181037       1.940259  1.917593       1.685215  299.4334 104.3049 280.9741 97.24578 18.45935       142.6053 
1 1 1 -15 6  4  o 720.7927 54.92877 13.51263       1.815732  14.05182       3.291322  13.27674       2.176978  725.9265 91.59474 715.6589 60.65545 10.26758       109.8575 
1 1 1 -15 6  5  o 977.2596 48.92042 24.05587       2.291745  27.52546       3.987917  22.34505       2.800331  1025.010 77.41939 929.5092 59.82533 95.50079       97.84084 
1 1 1 -15 6  6  o 1244.875 38.98981 39.84977       2.456297  39.05597       3.414368  40.70127       3.536296  1232.182 54.73335 1257.569 55.54351 -25.38708      77.97961 
1 1 1 -15 6  7  o 815.9158 56.68961 17.19401       2.024395  16.70018       2.344903  18.63917       4.011391  802.0355 58.14430 829.7961 97.33492 -27.76056      113.3792 
1 1 1 -15 6  8  o 678.0190 43.67026 12.11717       1.465474  10.25803       2.080229  13.94891       2.064842  623.7033 66.92542 732.3347 56.11911 -108.6314      87.34052 
1 1 1 -15 6  9  o 260.9884 63.97695 1.707486       1.032731  1.590882       1.464361  1.822869       1.456674  255.4617 90.48643 266.5151 90.46770 -11.05336      127.9539 
1 1 1 -15 6  10 o 983.5585 47.38442 25.26455       2.245692  24.47809       2.783977  26.72950       3.799620  967.6006 57.08389 999.5165 75.64763 -31.91589      94.76884 
1 1 1 -15 6  11 o 289.0413 97.55068 2.251641       1.693602  2.251641       1.693602  0.000000       0.000000  289.0413 97.55068 ?        ?        ?              ?        
1 1 1 -15 6  12 o 331.2071 72.27130 3.027892       1.256856  3.593275       2.277213  2.780215       1.507216  349.9680 112.9168 312.4462 90.23508 37.52176       144.5426 
1 1 1 -15 6  13 o 532.3718 69.82825 8.945588       1.598689  6.572644       2.970854  9.912833       1.896731  456.8029 124.8825 607.9408 62.51637 -151.1379      139.6565 
1 1 1 -15 6  14 o 251.8230 69.12019 0.6433315      1.297101  -0.6272380     1.592368  3.148943       2.236150  178.1704 80.95700 325.4755 112.0552 -147.3051      138.2404 
1 1 1 -15 6  15 o 648.0482 52.97424 11.99791       1.653911  9.725190       2.427811  13.96599       2.259244  580.0753 85.20938 716.0212 62.96380 -135.9460      105.9485 
1 1 1 -15 6  16 o 353.3226 66.33018 4.187018       1.347026  1.794526       2.141018  5.754505       1.732994  263.8308 105.6291 442.8144 80.25744 -178.9836      132.6604 
1 1 1 -15 6  17 o 353.7577 86.63207 4.371703       1.775220  4.173192       2.071319  4.920968       3.445448  352.2755 106.8387 355.2398 136.4037 -2.964233      173.2641 
1 1 1 -15 6  18 o 225.9157 99.27042 0.6239103      2.189929  0.6239103      2.189929  0.000000       0.000000  225.9157 99.27042 ?        ?        ?              ?        
1 1 1 -15 6  19 o 234.1712 101.6679 1.149757       2.237972  0.000000       0.000000  1.149757       2.237972  ?        ?        234.1712 101.6679 ?              ?        
1 1 1 -15 7  1  o 300.1621 81.82628 1.312919       1.547322  3.165138       3.183839  0.7401684      1.770466  363.6104 132.8257 236.7138 95.60067 126.8966       163.6526 
1 1 1 -15 7  2  o 524.1744 61.00546 7.531538       1.527941  6.353708       2.308439  8.449877       2.038348  482.1001 97.92109 566.2486 72.78822 -84.14847      122.0109 
1 1 1 -15 7  3  o 451.3193 65.82864 5.551003       1.440049  5.553997       2.213449  5.548807       1.896227  449.3875 99.87957 453.2512 85.77711 -3.863617      131.6573 
1 1 1 -15 7  4  o 176.8587 55.42428 -0.6627702     1.009946  -1.430677      1.370622  0.2494664      1.493884  149.3646 70.31973 204.3528 85.68862 -54.98819      110.8486 
1 1 1 -15 7  5  o 1169.265 51.77703 35.69567       2.780196  35.73858       5.096509  35.67750       3.317243  1161.299 87.32455 1177.232 55.65850 -15.93347      103.5541 
1 1 1 -15 7  6  o 1459.797 39.78012 54.98379       2.939303  55.99843       4.142600  53.95511       4.171152  1473.716 55.52332 1445.877 56.98241 27.83899       79.56025 
1 1 1 -15 7  7  o 1091.218 51.96514 30.84010       2.569958  30.16350       3.026851  32.58767       4.864520  1079.075 55.59478 1103.361 87.81072 -24.28613      103.9303 
1 1 1 -15 7  8  o 399.4756 58.54906 4.394471       1.145228  4.072536       1.625997  4.711386       1.613271  383.5851 85.86874 415.3661 79.61488 -31.78098      117.0981 
1 1 1 -15 7  9  o 411.7917 55.36566 4.642635       1.106264  3.402230       1.518203  6.046762       1.615293  348.9430 86.39674 474.6404 69.26058 -125.6974      110.7313 
1 1 1 -15 7  10 o 428.5152 69.25851 5.268090       1.443598  5.358071       1.847086  5.126859       2.314063  438.0797 86.35180 418.9507 108.3066 19.12894       138.5170 
1 1 1 -15 7  11 o 422.0016 58.03786 4.988858       1.193785  4.545208       1.706795  5.413752       1.670329  401.0634 86.59472 442.9398 77.29765 -41.87643      116.0757 
1 1 1 -15 7  12 o 361.1946 68.80743 4.139062       1.323231  2.265227       2.390300  4.967050       1.588907  299.8594 113.9758 422.5298 77.11921 -122.6704      137.6149 
1 1 1 -15 7  13 o 258.1782 65.37955 0.7124169      1.193919  3.675591       2.042818  -0.8248279     1.471372  349.9714 106.0925 166.3849 76.43518 183.5865       130.7591 
1 1 1 -15 7  14 o 212.5362 65.90388 0.1108285      1.316362  0.1732029      1.645417  -0.7294949E-04 2.194023  202.0598 87.45052 223.0126 98.61890 -20.95285      131.8078 
1 1 1 -15 7  15 o 226.0851 64.21983 0.8834105      1.215455  -0.6973038     1.965546  1.862119       1.546618  193.7383 88.75801 258.4319 92.83728 -64.69360      128.4397 
1 1 1 -15 7  16 o 418.2247 68.33363 5.584773       1.432446  4.437260       2.063618  6.651828       1.989959  366.8426 105.4808 469.6069 86.90073 -102.7643      136.6673 
1 1 1 -15 7  17 o 264.1190 76.05038 1.713799       1.507779  2.853809       2.665902  1.177619       1.828290  296.3663 118.1338 231.8716 95.80732 64.49472       152.1008 
1 1 1 -15 7  18 o 343.2448 92.34238 4.305692       1.938740  3.986162       2.140237  5.766965       4.576906  335.7300 109.5548 350.7595 148.6815 -15.02945      184.6848 
1 1 1 -15 8  1  o 335.8838 84.17801 2.785203       1.705292  2.887992       2.036201  2.543772       3.120637  330.0992 106.8024 341.6683 130.1422 -11.56909      168.3560 
1 1 1 -15 8  2  o 391.3268 76.12618 4.270932       1.585320  5.229771       2.199333  3.233938       2.287212  434.4487 101.7762 348.2049 113.2360 86.24384       152.2524 
1 1 1 -15 8  3  o 1177.409 41.98031 35.93629       2.479514  31.08339       3.488001  40.89388       3.525423  1094.388 63.22303 1260.430 55.24704 -166.0416      83.96062 
1 1 1 -15 8  4  o 889.3127 41.78980 20.48639       1.864695  22.73342       2.685456  18.39429       2.591222  937.3331 56.85886 841.2925 61.25863 96.04059       83.57961 
1 1 1 -15 8  5  o 842.0614 54.59330 17.97601       2.074513  20.58098       3.990674  17.01138       2.428423  875.3057 91.40215 808.8171 59.72739 66.48853       109.1866 
1 1 1 -15 8  6  o 374.1833 68.82670 4.647546       1.457986  0.1361211      2.980307  6.066923       1.671680  271.7011 117.6425 476.6654 71.47519 -204.9644      137.6534 
1 1 1 -15 8  7  o 1126.518 52.09143 32.58281       2.661536  31.33771       3.123754  35.88115       5.084206  1098.206 56.37352 1154.829 87.61332 -56.62305      104.1829 
1 1 1 -15 8  8  o 374.3718 60.49565 3.929538       1.137326  2.833470       1.604905  5.035267       1.611963  318.9784 93.40057 429.7652 76.91051 -110.7868      120.9913 
1 1 1 -15 8  9  o 563.5675 47.30324 8.565212       1.304894  9.588949       1.801481  7.435181       1.892695  602.6494 59.83579 524.4857 73.28072 78.16364       94.60648 
1 1 1 -15 8  10 o 661.7190 53.47504 11.67814       1.721263  10.95553       2.191979  12.84040       2.779944  638.8909 68.85617 684.5471 81.83611 -45.65613      106.9501 
1 1 1 -15 8  11 o 230.6550 61.71521 1.140102       0.9743963 1.458630       1.533311  0.9243285      1.261986  247.6765 91.88527 213.6336 82.41459 34.04288       123.4304 
1 1 1 -15 8  12 o 178.8823 56.48521 -0.4579088     0.9642167 0.2955033      1.735265  -0.7944361     1.159737  212.4050 90.83546 145.3595 67.16574 67.04558       112.9704 
1 1 1 -15 8  13 o 521.4988 72.18007 9.521684       1.604779  5.225349       3.109777  11.08106       1.873510  399.3481 132.1431 643.6495 58.12108 -244.3014      144.3601 
1 1 1 -15 8  14 o 687.6677 55.05376 13.12265       1.862334  10.97746       2.485244  15.86997       2.812488  621.2554 80.93813 754.0801 74.65041 -132.8248      110.1075 
1 1 1 -15 8  15 o 392.8120 70.02660 4.976451       1.408594  4.000671       2.154337  5.705115       1.861664  349.2253 109.5064 436.3986 87.31113 -87.17325      140.0532 
1 1 1 -15 8  16 o 256.7354 70.47694 1.628047       1.423423  0.6062016E-01  2.092914  2.977071       1.941635  211.3774 94.71154 302.0935 104.3921 -90.71609      140.9539 
1 1 1 -15 8  17 o 327.3773 71.71524 3.719396       1.421113  2.094901       2.241168  4.811794       1.837832  267.9360 107.7887 386.8187 94.62503 -118.8827      143.4305 
1 1 1 -15 8  18 o 282.9139 77.60789 1.741376       1.756337  5.403743       2.774304  -0.7081612     2.268899  368.1723 124.8509 197.6556 92.21822 170.5167       155.2158 
1 1 1 -15 9  1  o 419.0804 86.44112 4.163717       1.811404  7.441399       3.490135  2.955308       2.119171  505.4088 134.1625 332.7521 109.0353 172.6566       172.8822 
1 1 1 -15 9  2  o 953.8057 43.48009 23.65181       2.088065  23.24846       2.921599  24.07296       2.985374  945.5149 61.36527 962.0964 61.61473 -16.58148      86.96017 
1 1 1 -15 9  3  o 1140.222 42.04995 33.71909       2.417771  33.33183       3.358978  34.13544       3.482875  1133.760 58.72103 1146.684 60.20494 -12.92456      84.09991 
1 1 1 -15 9  4  o 1018.552 40.79919 26.94016       2.093589  25.90052       2.972835  27.96310       2.948874  998.3830 59.07815 1038.722 56.28561 -40.33868      81.59839 
1 1 1 -15 9  5  o 348.8720 65.44227 3.336570       1.219571  4.647502       1.758657  2.122123       1.692701  410.5774 87.29417 287.1666 97.52175 123.4108       130.8845 
1 1 1 -15 9  6  o 900.2659 50.82195 19.78989       2.110762  25.83067       4.035254  17.51447       2.476596  982.1380 81.90185 818.3939 60.19607 163.7441       101.6439 
1 1 1 -15 9  7  o 1054.427 53.55672 28.61386       2.552894  27.32876       2.989228  32.07731       4.907321  1023.013 57.95385 1085.840 90.08131 -62.82629      107.1134 
1 1 1 -15 9  8  o 680.3668 45.55668 12.38499       1.529836  14.09967       2.130321  10.55911       2.198311  732.7446 57.89766 627.9891 70.35272 104.7555       91.11336 
1 1 1 -15 9  9  o 233.9061 66.83678 0.8629519      1.219910  0.6715722      1.643831  1.097555       1.820019  222.5938 91.28356 245.2183 97.65210 -22.62450      133.6736 
1 1 1 -15 9  10 o 213.7212 89.58981 0.4571365      1.632202  0.4571365      1.632202  0.000000       0.000000  213.7212 89.58981 ?        ?        ?              ?        
1 1 1 -15 9  11 o 222.6718 58.12023 0.8267617      1.076278  -2.611561      2.033873  2.164072       1.268431  167.9839 80.87621 277.3596 83.49183 -109.3758      116.2405 
1 1 1 -15 9  12 o 393.8481 60.10852 4.562384       1.175451  3.140807       1.692639  5.886535       1.633609  326.5523 96.00555 461.1440 72.35378 -134.5916      120.2170 
1 1 1 -15 9  13 o 384.7975 72.17921 4.693440       1.374375  3.853893       2.596595  5.020185       1.619894  349.8953 120.7327 419.6998 79.13898 -69.80457      144.3584 
1 1 1 -15 9  14 o 246.3205 70.25103 1.128738       1.361174  0.3341177      1.788705  2.222005       2.098079  210.9116 91.23022 281.7293 106.8545 -70.81770      140.5021 
1 1 1 -15 9  15 o 217.8583 65.84225 0.5650821      1.268561  1.223816       2.000211  0.1218365      1.640752  240.7713 99.90634 194.9453 85.78772 45.82603       131.6845 
1 1 1 -15 9  16 o 235.5181 67.87432 1.322132       1.267400  1.435313       1.915286  1.233964       1.690444  241.7317 98.76289 229.3045 93.13210 12.42717       135.7486 
1 1 1 -15 9  17 o 237.8195 69.89015 0.7771187      1.486750  -0.9316447     2.001857  2.879000       2.220221  184.1693 86.15524 291.4697 110.0718 -107.3004      139.7803 
1 1 1 -15 9  18 o 282.4746 81.95467 2.737175       1.882560  3.767002       2.797713  1.885062       2.544894  308.1056 121.5835 256.8436 109.9260 51.26205       163.9093 
1 1 1 -15 10 1  o 995.9448 53.52064 26.79946       2.522855  24.53407       4.231359  28.04896       3.142510  954.3293 88.58906 1037.560 60.08172 -83.23114      107.0413 
1 1 1 -15 10 2  o 1578.713 42.46784 64.71650       3.392831  64.10960       4.720952  65.36481       4.879343  1571.540 59.33630 1585.886 60.77230 -14.34607      84.93568 
1 1 1 -15 10 3  o 304.7598 67.92674 2.509644       1.333415  3.850495       1.666080  0.1204227      2.223995  372.1923 89.51445 237.3272 102.1926 134.8651       135.8535 
1 1 1 -15 10 4  o 243.6839 66.29536 1.071425       1.199710  0.1631346      1.769224  1.844592       1.632326  215.1154 91.85011 272.2524 95.62351 -57.13699      132.5907 
1 1 1 -15 10 5  o 761.6273 41.52141 15.18556       1.584641  13.91950       2.223738  16.49176       2.258713  728.2664 60.87093 794.9883 56.48753 -66.72198      83.04282 
1 1 1 -15 10 6  o 587.1458 66.68667 8.955709       1.695568  11.00096       3.402712  8.280120       1.955661  618.5558 112.8151 555.7356 71.14215 62.82025       133.3733 
1 1 1 -15 10 7  o 478.5671 57.32122 6.805479       1.262827  9.937199       1.742525  3.341251       1.832698  614.7516 56.62462 342.3827 99.68221 272.3689       114.6424 
1 1 1 -15 10 8  o 290.4668 80.69653 1.629386       1.444184  1.393247       1.609499  2.604993       3.271482  248.6615 93.76339 332.2720 131.3626 -83.61047      161.3931 
1 1 1 -15 10 9  o 462.1031 65.53770 6.403380       1.357859  6.891383       1.623683  5.268115       2.476502  506.0922 64.86324 418.1141 113.9014 87.97806       131.0754 
1 1 1 -15 10 10 o 477.6244 54.85430 6.409959       1.263597  5.636628       1.868718  7.061401       1.715137  445.6141 85.94736 509.6347 68.18377 -64.02063      109.7086 
1 1 1 -15 10 11 f 184.4356 59.42144 -0.6292925     1.093831  -0.1891879     2.061180  -0.8018255     1.290547  214.3881 95.15686 154.4832 71.19552 59.90492       118.8429 
1 1 1 -15 10 12 o 274.4557 65.07038 2.101322       1.145334  0.8692920      1.768900  2.990685       1.502906  229.8887 94.53217 319.0228 89.44432 -89.13417      130.1408 
1 1 1 -15 10 13 o 192.4789 61.86707 -0.5206147     1.152701  0.2199446      2.241872  -0.7867557     1.343961  227.9701 100.3007 156.9877 72.45628 70.98239       123.7341 
1 1 1 -15 10 14 o 287.3586 74.68485 2.468013       1.413980  2.291077       1.862545  2.708707       2.172353  278.1801 101.5961 296.5372 109.4968 -18.35715      149.3697 
1 1 1 -15 10 15 o 213.9094 64.17239 0.6678445      1.170532  1.178552       1.924050  0.3677609      1.474863  234.7905 97.75163 193.0283 83.16853 41.76224       128.3448 
1 1 1 -15 10 16 o 242.4172 67.93619 0.7603694      1.250245  3.520997       2.223735  -0.5155988     1.511816  315.8210 111.5452 169.0133 77.58203 146.8077       135.8724 
1 1 1 -15 10 17 o 289.9671 76.36033 2.966862       1.523116  2.075898       2.735953  3.366999       1.833509  267.5193 114.2227 312.4149 101.3744 -44.89557      152.7207 
1 1 1 -15 10 18 o 221.0168 70.16572 0.4945663      1.644678  -0.5593520     2.213322  1.794035       2.457673  193.3663 90.50014 248.6674 107.2503 -55.30112      140.3314 
1 1 1 -15 11 1  f 775.6218 50.19112 16.20978       1.914262  18.55195       2.638890  13.60845       2.781051  840.1287 62.48998 711.1150 78.55952 129.0137       100.3822 
1 1 1 -15 11 2  o 578.6726 57.71502 9.206559       1.568261  12.58430       2.271915  6.132220       2.167480  689.6880 65.86705 467.6571 94.79253 222.0309       115.4300 
1 1 1 -15 11 3  o 368.4010 74.81014 3.759026       1.455660  3.123016       1.886835  4.694128       2.287870  333.7320 102.1299 403.0700 109.3422 -69.33807      149.6203 
1 1 1 -15 11 4  o 340.8360 66.51745 3.160983       1.269347  4.894154       1.845231  1.604054       1.748897  417.9051 89.88381 263.7669 98.07744 154.1382       133.0349 
1 1 1 -15 11 5  o 371.8316 60.30666 3.771489       1.116977  2.797701       1.479965  5.060326       1.702623  315.8491 88.83117 427.8141 81.58796 -111.9651      120.6133 
1 1 1 -15 11 6  o 990.4181 54.19436 26.43700       2.357047  26.36566       4.574506  26.46278       2.750232  974.6080 93.87180 1006.228 54.18671 -31.62018      108.3887 
1 1 1 -15 11 7  o 816.2339 48.72223 18.11844       1.925786  19.13661       2.480152  16.57245       3.056110  852.2838 57.82123 780.1841 78.43550 72.09973       97.44446 
1 1 1 -15 11 8  o 847.4418 56.31428 18.93400       2.402332  18.93400       2.402332  0.000000       0.000000  847.4418 56.31428 ?        ?        ?              ?        
1 1 1 -15 11 9  o 275.8870 67.26281 1.407340       1.143548  0.3651809      1.371849  3.780495       2.070153  195.8464 82.11754 355.9276 106.5545 -160.0812      134.5256 
1 1 1 -15 11 10 o 361.4842 74.53357 3.243206       1.382265  6.209665       2.600587  2.075146       1.631867  447.8024 114.3181 275.1660 95.66811 172.6363       149.0671 
1 1 1 -15 11 11 o 335.5440 76.85988 3.366786       1.357780  3.119700       2.944869  3.433493       1.530124  328.7968 126.1403 342.2913 87.85432 -13.49451      153.7198 
1 1 1 -15 11 12 o 339.0226 68.31384 3.387415       1.227174  4.314573       1.899571  2.723293       1.607692  375.7704 98.61018 302.2748 94.56826 73.49557       136.6277 
1 1 1 -15 11 13 o 286.5034 70.10976 2.537126       1.236543  1.362817       2.468395  2.930550       1.428742  261.1666 109.8618 311.8402 87.13155 -50.67358      140.2195 
1 1 1 -15 11 14 o 459.1354 70.17535 6.637358       1.596455  4.801374       2.145356  8.915629       2.389834  378.6112 107.1171 539.6596 90.68761 -161.0484      140.3507 
1 1 1 -15 11 15 o 200.9147 61.27388 0.3851186      1.191449  -1.559444      2.187557  1.205238       1.420650  182.1101 86.64832 219.7194 86.66038 -37.60931      122.5478 
1 1 1 -15 11 16 o 256.5634 70.79037 2.029505       1.358299  0.4381200      2.730539  2.552787       1.565773  233.4483 106.0504 279.6786 93.79995 -46.23033      141.5807 
1 1 1 -15 11 17 o 238.6129 98.64868 1.567723       1.939927  0.000000       0.000000  1.567723       1.939927  ?        ?        238.6129 98.64868 ?              ?        
1 1 1 -15 12 1  o 667.2386 69.28378 12.53500       2.014824  12.43064       3.794292  12.57599       2.377759  649.0278 119.8903 685.4495 69.47863 -36.42175      138.5676 
1 1 1 -15 12 2  o 450.7945 66.30304 5.807960       1.455989  6.203077       1.956817  5.317906       2.179257  472.5083 84.92249 429.0806 101.8457 43.42770       132.6061 
1 1 1 -15 12 3  o 382.1918 70.84335 4.004520       1.440971  2.401141       1.900214  6.174245       2.210479  299.1801 103.2790 465.2034 96.99773 -166.0233      141.6867 
1 1 1 -15 12 4  o 682.4918 47.82264 12.46978       1.624647  13.63513       2.310000  11.32911       2.285393  716.0024 64.41509 648.9811 70.70160 67.02124       95.64529 
1 1 1 -15 12 5  o 359.2146 61.56864 3.694038       1.109787  4.047030       1.506829  3.275565       1.640646  380.2752 80.76221 338.1540 92.95296 42.12115       123.1373 
1 1 1 -15 12 6  o 547.1899 48.82771 8.089971       1.320643  8.310464       1.928868  7.895397       1.811951  553.6056 70.41399 540.7742 67.66426 12.83136       97.65543 
1 1 1 -15 12 7  o 751.5792 79.97121 15.56007       2.996187  0.000000       0.000000  15.56007       2.996187  ?        ?        751.5792 79.97121 ?              ?        
1 1 1 -15 12 8  o 228.2631 84.61356 1.231289       1.299697  1.231289       1.299697  0.000000       0.000000  228.2631 84.61356 ?        ?        ?              ?        
1 1 1 -15 12 9  o 339.4223 68.30982 3.400246       1.229652  3.735649       1.800120  3.106825       1.683694  354.2691 97.35883 324.5754 95.84459 29.69366       136.6196 
1 1 1 -15 12 10 o 215.9911 67.29080 0.1291769      1.279790  0.1824010      2.510284  0.1104848      1.487640  240.0524 105.8540 191.9298 83.10915 48.12256       134.5816 
1 1 1 -15 12 11 o 173.1746 56.97575 -1.026575      1.174105  -1.083135      1.909886  -0.9922136     1.488619  184.4512 85.56738 161.8980 75.25403 22.55321       113.9515 
1 1 1 -15 12 12 o 341.5509 67.96988 3.581757       1.210488  3.721489       1.901684  3.486576       1.569518  343.8764 101.9412 339.2254 89.93116 4.651001       135.9398 
1 1 1 -15 12 13 o 325.4965 75.74724 3.605416       1.466427  2.574409       2.685874  4.043271       1.750330  293.2135 117.9846 357.7794 95.02747 -64.56583      151.4945 
1 1 1 -15 12 14 o 312.9946 79.66885 2.156419       1.619895  6.813841       3.042810  0.3143626      1.913610  417.6416 130.0098 208.3475 92.11922 209.2941       159.3377 
1 1 1 -15 12 15 o 271.5812 78.90949 2.234600       1.511481  1.691778       3.898041  2.330657       1.639772  274.6051 125.5035 268.5573 95.68545 6.047821       157.8190 
1 1 1 -15 12 16 o 250.9318 76.16016 1.413935       1.721350  2.921648       2.717265  0.4033158      2.224673  285.7507 117.2939 216.1130 97.17834 69.63768       152.3203 
1 1 1 -15 12 17 o 361.0941 83.17406 5.061397       1.916210  8.526678       2.929250  2.469231       2.533486  457.3289 123.5817 264.8592 111.3519 192.4698       166.3481 
1 1 1 -15 13 1  o 373.1099 70.22127 4.133248       1.362575  4.700330       1.816217  3.403134       2.060823  404.9449 90.82860 341.2750 107.1180 63.66989       140.4425 
1 1 1 -15 13 2  o 335.3372 83.69238 3.312232       1.833636  0.4638078      3.772799  4.193139       2.098100  294.2541 129.7622 376.4203 105.7328 -82.16617      167.3848 
1 1 1 -15 13 3  o 425.2293 68.79799 5.242128       1.448198  4.948889       1.997623  5.566973       2.102524  412.4670 97.24692 437.9916 97.34316 -25.52460      137.5960 
1 1 1 -15 13 4  o 613.8578 48.16178 10.09844       1.463631  9.451153       1.950622  10.93240       2.214097  592.3650 66.17371 635.3506 69.99478 -42.98566      96.32356 
1 1 1 -15 13 5  o 833.4026 40.29271 18.36135       1.688926  19.16978       2.426938  17.60217       2.351835  851.4722 56.62230 815.3331 57.34044 36.13916       80.58542 
1 1 1 -15 13 6  o 389.0544 66.74782 4.450126       1.308875  5.081976       1.834040  3.794309       1.868499  420.2054 88.98190 357.9034 99.51536 62.30194       133.4956 
1 1 1 -15 13 7  o 774.0699 65.79695 16.67067       2.438800  19.12676       4.104718  15.33058       3.031985  807.6878 102.7048 740.4520 82.27197 67.23578       131.5939 
1 1 1 -15 13 8  o 440.1499 75.78327 5.438067       1.627791  5.438067       1.627791  0.000000       0.000000  440.1499 75.78327 ?        ?        ?              ?        
1 1 1 -15 13 9  o 559.3874 63.75650 8.593487       1.677285  11.03118       2.897988  7.365582       2.056789  611.2438 96.87878 507.5310 82.90999 103.7128       127.5130 
1 1 1 -15 13 10 o 371.1860 76.57559 4.644862       1.563168  2.923878       2.937020  5.325031       1.846406  317.6830 124.8246 424.6890 88.73620 -107.0060      153.1512 
1 1 1 -15 13 11 o 449.7235 68.86668 7.322161       1.474566  3.583144       2.750219  8.830672       1.746879  332.0463 123.0843 567.4008 61.81203 -235.3545      137.7334 
1 1 1 -15 13 12 o 236.3947 67.85017 1.252923       1.215775  1.173877       2.148937  1.290135       1.474432  243.9989 102.5662 228.7906 88.85245 15.20836       135.7003 
1 1 1 -15 13 13 o 466.2355 82.58875 8.006495       1.988885  6.261812       3.099949  9.227109       2.592898  397.2745 131.9570 535.1965 99.35265 -137.9221      165.1775 
1 1 1 -15 13 14 o 348.5784 91.29887 4.082978       1.854151  3.017368       2.105133  7.769607       3.915572  293.8800 107.9065 403.2768 147.3028 -109.3967      182.5977 
1 1 1 -15 13 15 o 438.3962 73.25552 6.789374       1.459016  6.477213       2.928095  6.892478       1.682803  394.7383 128.1100 482.0540 71.08669 -87.31567      146.5110 
1 1 1 -15 13 16 o 250.4829 68.10255 1.818851       1.520262  -2.533281      2.895678  3.474931       1.786240  189.6622 92.51871 311.3037 99.96058 -121.6415      136.2051 
1 1 1 -15 13 17 o 316.4860 85.88356 4.737324       1.970919  4.001373       2.947778  5.332306       2.650468  292.3571 121.2953 340.6150 121.6199 -48.25797      171.7671 
1 1 1 -15 14 1  o 600.0551 53.55188 9.915477       1.587414  10.74545       2.312467  9.175830       2.183008  624.7255 74.58917 575.3847 76.86137 49.34082       107.1038 
1 1 1 -15 14 2  o 540.0734 78.63777 8.710434       1.797487  8.631434       2.053371  8.969468       3.718203  559.4432 74.33899 520.7035 138.5977 38.73975       157.2755 
1 1 1 -15 14 3  o 468.7430 62.42430 6.245113       1.421831  5.645194       1.909817  6.991085       2.129642  443.1680 88.22313 494.3180 88.33943 -51.15005      124.8486 
1 1 1 -15 14 4  o 652.6304 51.98101 11.10327       1.630014  9.492562       2.011381  14.18495       2.782146  589.9375 68.62735 715.3233 78.09219 -125.3858      103.9620 
1 1 1 -15 14 5  o 361.1325 68.33030 3.901763       1.277233  4.193743       1.740038  3.560663       1.880715  377.7561 91.86867 344.5089 101.1744 33.24713       136.6606 
1 1 1 -15 14 6  o 311.4316 65.61298 2.775677       1.182956  1.526636       1.654459  4.082167       1.692079  250.4933 94.91643 372.3698 90.61526 -121.8765      131.2260 
1 1 1 -15 14 7  o 506.7266 83.74050 9.131216       2.198767  4.972522       3.675416  11.44909       2.743932  383.1519 142.2375 630.3012 88.42152 -247.1493      167.4810 
1 1 1 -15 14 8  o 393.9821 89.07767 5.495218       2.150106  6.637690       2.588501  2.952794       3.861444  457.4789 112.5367 330.4854 138.1116 126.9935       178.1553 
1 1 1 -15 14 9  o 212.0883 67.01636 -0.6693108E-01 1.367935  0.8868500E-01  2.465844  -0.1361130     1.644124  232.7991 103.6632 191.3776 84.96294 41.42152       134.0327 
1 1 1 -15 14 10 o 493.4613 63.49831 7.280933       1.526996  7.054696       2.178812  7.499323       2.140689  483.6334 92.35394 503.2892 87.17164 -19.65582      126.9966 
1 1 1 -15 14 11 o 325.2522 73.93198 3.449888       1.388888  3.799701       1.943693  3.084924       1.985339  341.3554 103.4878 309.1490 105.6127 32.20639       147.8640 
1 1 1 -15 14 12 o 374.2699 73.48970 4.700266       1.464267  3.733881       2.017135  5.776771       2.128961  330.3524 106.2404 418.1874 101.5673 -87.83502      146.9794 
1 1 1 -15 14 13 o 223.9986 69.25655 0.3911908      1.365070  2.354561       2.536426  -0.4093657     1.619635  272.3619 112.7169 175.6352 80.50331 96.72672       138.5131 
1 1 1 -15 14 14 o 270.6390 75.26615 1.899174       1.505978  4.488188       2.571354  0.5474349      1.857980  334.0926 119.7378 207.1854 91.22950 126.9072       150.5323 
1 1 1 -15 14 15 o 286.9713 76.82973 2.892415       1.450089  3.794288       2.587852  2.479631       1.750766  305.8674 118.0115 268.0752 98.40992 37.79218       153.6595 
1 1 1 -15 14 16 o 301.6969 72.43893 3.733312       1.414192  2.120429       2.959703  4.210489       1.609853  253.8830 113.2727 349.5108 90.32659 -95.62775      144.8779 
1 1 1 -15 15 1  o 258.1037 71.46503 1.548644       1.354615  1.420794       1.846644  1.697587       1.993164  251.1440 98.88279 265.0634 103.2046 -13.91945      142.9301 
1 1 1 -15 15 2  o 438.7035 74.91512 5.791625       1.577313  5.520984       1.931965  6.332638       2.731538  433.4009 90.94936 444.0061 119.0685 -10.60522      149.8302 
1 1 1 -15 15 3  o 242.2664 66.90309 1.288477       1.136122  1.174741       1.392766  1.514674       1.964138  226.7201 86.80312 257.8127 101.8298 -31.09254      133.8062 
1 1 1 -15 15 4  o 292.2714 67.68472 2.198759       1.151053  1.346021       1.435465  3.734587       1.926443  235.3679 88.59085 349.1748 102.3550 -113.8069      135.3694 
1 1 1 -15 15 5  f 244.3883 65.58280 1.447206       1.119087  1.754979       1.636827  1.177070       1.533479  257.8020 95.07590 230.9746 90.36032 26.82733       131.1656 
1 1 1 -15 15 6  o 218.1248 60.39238 1.019338       0.9717296 1.177061       1.319459  0.8324045      1.436449  223.1269 84.71169 213.1227 86.09814 10.00423       120.7848 
1 1 1 -15 15 7  o 360.8590 99.28676 4.030697       1.870831  0.000000       0.000000  4.030697       1.870831  ?        ?        360.8590 99.28676 ?              ?        
1 1 1 -15 15 8  o 296.3747 113.3688 2.569859       2.374373  2.569859       2.374373  0.000000       0.000000  296.3747 113.3688 ?        ?        ?              ?        
1 1 1 -15 15 9  o 271.9732 77.60724 1.803403       1.575101  2.555598       2.705077  1.417554       1.937415  296.5142 118.7250 247.4322 99.97952 49.08195       155.2145 
1 1 1 -15 15 10 o 488.1492 58.99778 7.287546       1.350133  6.236818       2.138760  7.983666       1.740841  443.8680 97.81297 532.4304 65.99677 -88.56238      117.9956 
1 1 1 -15 15 11 o 305.0715 62.51296 3.088746       1.219110  0.6570367      1.936369  4.685570       1.569136  218.1088 94.63174 392.0343 81.70872 -173.9255      125.0259 
1 1 1 -15 15 12 o 208.8724 62.98000 0.7306890      1.205346  -0.3647709     2.029805  1.327390       1.498078  194.0952 89.39059 223.6496 88.74256 -29.55435      125.9600 
1 1 1 -15 15 13 o 240.9730 71.96050 0.6146029      1.415181  3.964813       2.680041  -0.6807137     1.666454  312.0776 120.1825 169.8685 79.17966 142.2091       143.9210 
1 1 1 -15 15 14 o 511.2650 78.11615 10.35154       1.948772  7.367624       3.223222  12.07075       2.446588  399.4155 134.5778 623.1146 79.35590 -223.6990      156.2323 
1 1 1 -15 15 15 o 335.0640 74.93841 4.658163       1.520198  3.290399       2.759558  5.254092       1.821509  281.0641 117.0463 389.0638 93.61206 -107.9998      149.8768 
1 1 1 -15 15 16 f 238.1798 73.89144 1.552622       1.648650  3.732464       2.771723  0.3591428      2.050901  279.2838 116.8885 197.0758 90.42593 82.20798       147.7829 
1 1 1 -15 16 1  o 437.8893 88.96640 6.458444       1.982384  6.744992       3.649963  6.338550       2.360958  426.5692 143.2122 449.2094 105.5951 -22.64011      177.9328 
1 1 1 -15 16 2  o 581.1328 80.41072 11.11460       2.249095  8.252051       3.361540  13.43455       3.026222  486.6954 132.7516 675.5702 90.77747 -188.8748      160.8214 
1 1 1 -15 16 3  o 255.7297 69.89996 1.649222       1.244743  1.713693       1.522282  1.519148       2.162249  251.7629 91.86347 259.6964 105.3808 -7.933487      139.7999 
1 1 1 -15 16 4  o 274.4803 69.02305 2.029886       1.296903  3.238752       1.799089  0.7221259      1.871232  323.3538 99.85581 225.6068 95.31810 97.74707       138.0461 
1 1 1 -15 16 5  o 345.0282 69.48262 3.662951       1.278970  3.043972       1.736553  4.396727       1.890741  313.9915 98.29356 376.0649 98.23296 -62.07343      138.9652 
1 1 1 -15 16 6  o 583.2823 57.45032 9.901245       1.637705  10.55707       2.254684  9.168801       2.382748  609.6183 74.61134 556.9464 87.38023 52.67188       114.9006 
1 1 1 -15 16 7  o 519.5923 81.72762 7.901636       2.078889  0.000000       0.000000  7.901636       2.078889  ?        ?        519.5923 81.72762 ?              ?        
1 1 1 -15 16 8  o 219.7574 74.15562 -2.370688      1.998410  -3.733734      2.377469  0.9110777      3.689039  165.4482 81.35064 274.0666 124.0093 -108.6184      148.3112 
1 1 1 -15 16 9  o 472.7088 62.30249 6.789852       1.417756  7.234956       2.211884  6.479459       1.847085  480.0083 94.38251 465.4092 81.35319 14.59906       124.6050 
1 1 1 -15 16 10 o 514.7062 59.24008 8.294320       1.435228  6.896848       2.208184  9.316488       1.888534  459.5728 97.90452 569.8397 66.72521 -110.2668      118.4802 
1 1 1 -15 16 11 o 298.6885 65.36642 3.134513       1.260802  1.046179       2.035398  4.434697       1.606023  226.2413 97.59019 371.1357 86.98984 -144.8945      130.7328 
1 1 1 -15 16 12 o 281.0989 68.63245 1.586202       1.216483  5.749450       2.344198  0.5189613E-01  1.423096  387.1305 112.7457 175.0674 78.29472 212.0630       137.2649 
1 1 1 -15 16 13 o 440.3362 70.11507 8.580185       1.766194  3.046857       3.221933  10.95726       2.111760  277.5645 121.2247 603.1080 70.49166 -325.5435      140.2301 
1 1 1 -15 16 14 o 226.8792 71.12674 1.208851       1.625012  0.3855237      2.775335  1.638367       2.004558  220.1102 102.4592 233.6481 98.68220 -13.53790      142.2535 
1 1 1 -15 16 15 o 408.7069 71.80888 7.457188       1.591779  4.657515       3.072158  8.484608       1.861074  298.2593 123.7929 519.1544 72.81053 -220.8951      143.6178 
1 1 1 -15 17 1  o 382.7932 90.57965 4.482518       1.872834  3.335391       2.175187  7.769929       3.682288  319.7998 110.4934 445.7867 143.5615 -125.9869      181.1593 
1 1 1 -15 17 2  o 159.3923 71.93364 -0.3539003     1.231937  -0.3539003     1.231937  0.000000       0.000000  159.3923 71.93364 ?        ?        ?              ?        
1 1 1 -15 17 3  o 611.6301 82.08485 12.79309       2.325445  10.54700       3.827961  14.10682       2.927562  532.0262 140.1615 691.2340 85.47781 -159.2078      164.1697 
1 1 1 -15 17 4  o 613.2043 76.78548 10.84395       2.331524  0.000000       0.000000  10.84395       2.331524  ?        ?        613.2043 76.78548 ?              ?        
1 1 1 -15 17 5  o 408.3496 61.21573 5.006027       1.221471  5.582101       1.835835  4.548434       1.636192  429.1219 87.46963 387.5774 85.66520 41.54449       122.4315 
1 1 1 -15 17 6  o 542.5139 54.17531 8.623634       1.430197  7.725866       2.078160  9.431430       1.971277  508.6809 83.60069 576.3468 68.92590 -67.66586      108.3506 
1 1 1 -15 17 7  o 348.2285 101.1392 4.007215       1.888704  0.000000       0.000000  4.007215       1.888704  ?        ?        348.2285 101.1392 ?              ?        
1 1 1 -15 17 8  o 306.9285 72.51718 3.087933       1.313090  3.834561       2.041025  2.560676       1.715171  332.5944 106.8579 281.2627 98.06306 51.33170       145.0344 
1 1 1 -15 17 9  o 253.5833 68.92780 1.986261       1.272429  1.305811       2.020838  2.433250       1.637880  234.9769 99.15399 272.1896 95.77397 -37.21272      137.8556 
1 1 1 -15 17 10 o 196.7852 61.08757 0.3403730      1.136412  1.128344       1.856491  -0.1318085     1.437118  222.1937 94.46045 171.3768 77.48542 50.81693       122.1751 
1 1 1 -15 17 11 o 187.5945 60.32261 -0.4846316     1.199432  1.449369       2.053903  -1.485512      1.477552  231.9963 99.00872 143.1926 68.93870 88.80373       120.6452 
1 1 1 -15 17 12 o 215.4241 67.04873 0.9915299      1.360879  -0.5728620     2.956991  1.411919       1.532862  210.5748 100.3434 220.2734 88.95686 -9.698532      134.0975 
1 1 1 -15 17 13 o 377.7689 77.34969 6.098057       1.609154  5.100568       3.130133  6.456374       1.876041  317.3635 127.4863 438.1743 87.63065 -120.8107      154.6994 
1 1 1 -15 17 14 o 305.4995 76.17384 4.274899       1.618022  2.649199       2.923987  4.992412       1.942541  253.7843 112.9547 357.2146 102.2303 -103.4303      152.3477 
1 1 1 -15 18 1  o 243.2944 74.05869 0.4767900      1.501252  -0.5081208     1.761099  3.095311       2.871530  183.1563 83.94871 303.4326 122.0302 -120.2764      148.1174 
1 1 1 -15 18 2  o 304.3993 65.98173 3.000079       1.183241  3.960407       1.596638  1.830113       1.762314  355.4494 88.94135 253.3491 97.48738 102.1002       131.9635 
1 1 1 -15 18 3  o 362.0262 68.91439 4.304896       1.359801  2.779443       1.921595  5.834979       1.924508  292.0271 103.6318 432.0253 90.86929 -139.9982      137.8288 
1 1 1 -15 18 4  o 312.4986 83.95135 3.384428       1.672773  3.583468       1.801524  2.139342       4.505771  328.9361 99.61070 296.0611 135.1629 32.87506       167.9027 
1 1 1 -15 18 5  o 390.8010 74.94044 2.628030       1.395020  0.8206667      1.526923  11.75400       3.431104  208.7383 87.00795 572.8636 122.0405 -364.1254      149.8809 
1 1 1 -15 18 6  o 278.1868 95.38651 2.514655       1.619559  0.000000       0.000000  2.514655       1.619559  ?        ?        278.1868 95.38651 ?              ?        
1 1 1 -15 18 7  f 307.4324 76.94656 3.664999       1.656312  0.6869696      3.647100  4.438807       1.859086  253.9459 117.9572 360.9190 98.83926 -106.9731      153.8931 
1 1 1 -15 18 8  f 276.8155 72.97009 2.583710       1.530762  4.062774       2.032079  0.6432996      2.327523  331.6497 106.6307 221.9813 99.64154 109.6685       145.9402 
1 1 1 -15 18 9  o 218.4159 65.27171 0.9830247      1.220685  2.056869       1.971924  0.3158731      1.554289  249.8061 100.8915 187.0256 82.84013 62.78053       130.5434 
1 1 1 -15 18 10 o 242.0269 68.83811 1.914923       1.264736  2.177275       2.057376  1.755558       1.603498  250.3671 102.3339 233.6866 92.10056 16.68050       137.6762 
1 1 1 -15 18 11 o 219.6132 67.55905 1.253383       1.355008  -0.9510039     3.277827  1.707729       1.488111  210.0188 101.4951 229.2075 89.19439 -19.18863      135.1181 
1 1 1 -15 18 12 o 326.0914 81.45449 4.203409       1.480889  6.254431       3.232393  3.658555       1.666017  339.2853 131.6156 312.8974 96.00346 26.38791       162.9090 
1 1 1 -15 18 13 o 193.9084 63.89192 0.1135215      1.532795  -1.573104      2.850631  0.7995020      1.817973  187.8141 91.65663 200.0027 89.03803 -12.18857      127.7838 
1 1 1 -15 18 14 f 220.1635 69.84467 1.672048       1.617011  0.9591813      2.868678  2.004031       1.957654  212.7390 100.6324 227.5881 96.88257 -14.84909      139.6893 
1 1 1 -15 19 1  o 220.7175 65.19205 1.140721       1.184821  1.657530       1.292631  -1.575529      2.963429  234.7000 84.80118 206.7351 99.03926 27.96492       130.3841 
1 1 1 -15 19 2  o 307.4212 81.63162 3.225679       1.467332  3.081411       1.594088  4.026125       3.754864  303.2295 94.05312 311.6129 133.4500 -8.383423      163.2632 
1 1 1 -15 19 3  o 450.1644 66.32688 6.661348       1.481209  9.233695       2.166518  4.403717       2.029664  549.2089 80.29009 351.1200 105.5960 198.0889       132.6538 
1 1 1 -15 19 4  f 407.4800 63.28060 5.387408       1.271974  5.996989       1.810119  4.792784       1.787775  435.5274 85.14488 379.4327 93.63805 56.09467       126.5612 
1 1 1 -15 19 5  o 316.1926 60.94911 3.211798       1.154905  5.403193       1.665144  1.180461       1.603181  414.1218 82.32143 218.2634 89.90195 195.8584       121.8982 
1 1 1 -15 19 6  o 390.9377 68.41595 5.642411       1.404073  3.867362       2.218637  6.828263       1.813412  314.4868 111.3804 467.3887 79.48194 -152.9019      136.8319 
1 1 1 -15 19 7  o 299.2943 73.35003 3.680079       1.746718  5.368199       2.041953  -0.9245536     3.372419  381.8827 103.1752 216.7058 104.2871 165.1769       146.7001 
1 1 1 -15 19 8  o 339.4775 76.15189 5.106073       1.633110  5.794908       1.896907  3.133202       3.210243  406.8914 93.97924 272.0636 119.8513 134.8278       152.3038 
1 1 1 -15 19 9  o 338.6317 73.07744 4.626447       1.983246  -1.377428      3.092102  8.822530       2.584996  199.7794 97.03551 477.4841 109.2948 -277.7047      146.1549 
1 1 1 -15 19 10 o 307.1060 79.08941 3.829055       1.459123  5.243688       2.934505  3.364433       1.681755  318.0898 124.8392 296.1223 97.13762 21.96753       158.1788 
1 1 1 -15 19 11 o 213.9865 65.82565 1.238842       1.371973  -1.811717      3.269581  1.890772       1.511481  195.6945 96.05553 232.2785 90.02998 -36.58401      131.6513 
1 1 1 -15 19 12 o 283.8257 69.10184 3.494819       1.758837  -3.110720      3.383073  5.941548       2.058971  183.7754 91.52018 383.8761 103.5583 -200.1007      138.2037 
1 1 1 -15 19 13 o 340.4983 87.06870 6.063115       1.807931  8.438651       3.419524  5.141436       2.129976  350.2994 135.5154 330.6972 109.3591 19.60223       174.1374 
1 1 1 -15 20 1  o 164.8062 51.80912 -0.3897840     1.006992  0.9333715      1.203866  -3.472358      1.837508  194.3022 78.70614 135.3101 67.39497 58.99211       103.6182 
1 1 1 -15 20 2  o 228.5240 71.14174 1.292569       1.294410  1.374536       1.383141  0.7145097      3.673104  216.7596 85.50369 240.2885 113.7264 -23.52892      142.2835 
1 1 1 -15 20 3  o 219.7691 60.62075 1.447662       0.9780197 1.682803       1.386240  1.214620       1.380039  229.6862 86.91859 209.8520 84.52610 19.83424       121.2415 
1 1 1 -15 20 4  o 369.2194 70.93430 6.669435       1.690148  7.529043       1.804339  0.5157574      4.827644  490.9640 74.96849 247.4749 120.4426 243.4891       141.8686 
1 1 1 -15 20 5  o 341.9922 65.74195 4.526249       1.411253  1.617137       2.130866  6.799296       1.883563  231.9259 99.94791 452.0586 85.43085 -220.1327      131.4839 
1 1 1 -15 20 6  o 237.9496 65.86713 1.562116       1.202266  3.461815       1.911103  0.3178633      1.546664  293.5750 103.4375 182.3242 81.57571 111.2508       131.7343 
1 1 1 -15 20 7  o 186.6957 58.31610 0.2914343      1.170257  -1.312618      1.838558  1.383916       1.517313  159.8497 76.94412 213.5418 87.65085 -53.69209      116.6322 
1 1 1 -15 20 8  o 298.6035 68.19075 3.708206       1.309845  2.128031       2.150409  4.640312       1.651587  239.0649 101.6488 358.1420 90.92546 -119.0770      136.3815 
1 1 1 -15 20 9  f 265.2360 75.89827 2.868157       1.657869  1.253929       2.246854  4.797326       2.456279  216.6936 97.52955 313.7784 116.3193 -97.08488      151.7965 
1 1 1 -15 20 10 o 222.7526 74.57364 0.5220005      2.414988  3.312623       3.145422  -3.485216      3.769206  257.0234 115.5651 188.4818 94.28480 68.54158       149.1473 
1 1 1 -15 20 11 o 233.5252 76.49384 1.015214       2.252086  5.621160       3.365806  -2.718485      3.030396  291.2164 125.5565 175.8340 87.41161 115.3824       152.9877 
1 1 1 -15 20 12 o 237.5755 74.02571 2.283309       1.444219  4.729343       3.348940  1.724484       1.600715  261.5352 118.2636 213.6157 89.06705 47.91948       148.0514 
1 1 1 -15 21 1  o 200.2306 69.02406 -0.5187396     1.687943  1.483606       3.962493  -0.9626316     1.865682  235.5891 113.2939 164.8720 78.87828 70.71703       138.0481 
1 1 1 -15 21 2  o 183.9676 63.17034 -0.2606970     1.206723  -0.2278469     1.274132  -0.5467393     3.759769  154.0445 70.89973 213.8907 104.5715 -59.84624      126.3407 
1 1 1 -15 21 3  o 324.4595 65.04243 3.891519       1.109428  3.665478       1.468691  4.191897       1.693057  318.1210 88.14835 330.7979 95.66579 -12.67697      130.0849 
1 1 1 -15 21 4  o 256.4769 68.42623 2.546245       1.187941  3.040419       1.915939  2.237617       1.514115  268.6088 102.0550 244.3450 91.17770 24.26378       136.8525 
1 1 1 -15 21 5  o 164.2997 55.54095 -0.9309469     1.246247  -0.3158992E-01 2.013951  -1.489036      1.586479  184.8151 86.44391 143.7842 69.76131 41.03094       111.0819 
1 1 1 -15 21 6  o 313.8412 68.10460 3.985014       1.209163  3.473518       1.846999  4.368656       1.599590  285.0943 101.5545 342.5881 90.77238 -57.49384      136.2092 
1 1 1 -15 21 7  o 190.5603 60.57233 0.6684735      1.198552  0.7055622      1.934964  0.6453846      1.526699  196.0838 89.15257 185.0369 82.02346 11.04691       121.1447 
1 1 1 -15 21 8  o 357.9630 86.49396 2.823090       1.436709  -8.236295      3.828117  4.636229       1.550013  ?        ?        357.9630 86.49396 ?              ?        
1 1 1 -15 21 9  o 238.6573 77.83316 2.571079       2.084300  3.799055       3.639161  1.971618       2.542649  251.6777 117.2110 225.6368 102.4382 26.04094       155.6663 
1 1 1 -15 21 10 o 250.9440 72.67915 3.228195       1.587054  1.077293       4.386992  3.552078       1.702355  217.3723 107.5545 284.5157 97.78069 -67.14337      145.3583 
1 1 1 -15 21 11 o 271.2149 84.46126 2.123368       1.548419  13.17442       4.266143  0.4466559      1.661739  367.3295 148.3833 175.1003 80.72916 192.2292       168.9225 
1 1 1 -15 22 1  o 226.0925 73.55896 2.014556       1.757138  2.265828       4.209568  1.961538       1.933649  229.3993 111.8253 222.7858 95.59702 6.613449       147.1179 
1 1 1 -15 22 2  o 365.6835 86.44430 6.078073       1.596687  5.173967       1.743407  10.78143       3.976431  363.1852 94.06630 368.1819 145.0586 -4.996643      172.8886 
1 1 1 -15 22 3  o 229.1233 62.76578 2.013227       1.048080  1.578907       1.454121  2.482803       1.511990  210.9756 86.10991 247.2711 91.34142 -36.29552      125.5316 
1 1 1 -15 22 4  o 197.3375 60.46899 1.134329       1.082656  1.274382       1.824896  1.058260       1.344909  203.8300 90.04836 190.8451 80.72973 12.98488       120.9380 
1 1 1 -15 22 5  o 313.9802 66.49123 4.331736       1.301598  2.462485       1.997188  5.711847       1.716099  236.5170 99.12142 391.4433 88.65257 -154.9263      132.9825 
1 1 1 -15 22 6  o 203.2252 61.10579 1.302016       1.170967  0.1259725      1.877880  2.050204       1.497826  178.4141 83.45716 228.0362 89.27807 -49.62202      122.2116 
1 1 1 -15 22 7  o 263.6516 71.75468 3.286015       1.340719  3.374192       2.356131  3.243791       1.630422  253.5426 107.0303 273.7607 95.60049 -20.21811      143.5094 
1 1 1 -15 22 8  o 221.8740 67.39732 2.123672       1.364217  -0.1875816     4.105981  2.410473       1.446385  202.8819 101.0011 240.8662 89.26569 -37.98438      134.7946 
1 1 1 -15 22 9  o 200.5342 91.86662 -0.7669883     1.880451  -9.281910      4.182273  1.390582       2.105254  ?        ?        200.5342 91.86662 ?              ?        
1 1 1 -15 22 10 o 186.3522 65.09171 -0.1946151E-01 1.531687  4.047400       3.762599  -0.8272720     1.676923  224.4617 108.5416 148.2426 71.87801 76.21904       130.1834 
1 1 1 -15 23 1  o 264.5714 71.68095 4.078437       1.693141  0.5768161      3.654065  5.035781       1.910626  201.7383 99.51212 327.4044 103.1987 -125.6661      143.3619 
1 1 1 -15 23 2  o 215.2879 74.60229 1.013604       2.750760  5.621710       3.974651  -3.222493      3.810841  252.8166 119.2429 177.7591 89.68354 75.05748       149.2046 
1 1 1 -15 23 3  o 166.1891 53.48562 0.2720797      1.026333  -0.7393740     1.660230  0.8976940      1.305715  152.4983 73.33543 179.8800 77.87657 -27.38170      106.9712 
1 1 1 -15 23 4  o 166.1440 54.56219 0.1752980      1.096350  -0.2894152E-01 1.718518  0.3154736      1.423707  166.6388 78.53925 165.6491 75.76093 0.9896545      109.1244 
1 1 1 -15 23 5  o 230.4069 66.29961 2.342368       1.220641  3.260966       1.843051  1.624608       1.629162  256.1003 99.37314 204.7135 87.79257 51.38672       132.5992 
1 1 1 -15 23 6  o 272.8574 67.87962 3.786181       1.310585  2.420809       2.209161  4.527687       1.628018  220.6254 98.19007 325.0894 93.75114 -104.4641      135.7592 
1 1 1 -15 23 7  o 218.2915 67.06319 2.448429       1.492979  -1.356876      4.935064  2.831780       1.566377  191.4254 97.14108 245.1577 92.48510 -53.73228      134.1264 
1 1 1 -15 23 8  o 209.4758 69.43954 2.453032       1.831030  2.113019       4.215213  2.532112       2.032837  202.0268 100.8569 216.9248 95.47401 -14.89795      138.8791 
1 1 1 -15 24 1  o 208.6588 71.99445 1.195233       1.507954  9.214309       4.408589  0.1327078      1.604749  257.1847 122.5452 160.1329 75.60085 97.05174       143.9889 
1 1 1 -15 24 2  o 251.6731 65.63199 3.145871       1.166748  2.128805       1.652409  4.157102       1.647662  210.8438 89.35299 292.5023 96.15755 -81.65851      131.2640 
1 1 1 -15 24 3  o 182.8415 64.01949 0.2413793      1.847169  -0.4150542     2.100452  2.481450       3.880147  162.6027 79.20399 203.0803 100.6017 -40.47757      128.0390 
1 1 1 -15 24 4  o 242.6465 64.68172 3.113950       1.251361  1.483381       2.017950  4.132745       1.595086  191.0449 88.38867 294.2482 94.45816 -103.2033      129.3634 
1 1 1 -15 24 5  f 191.1241 65.05684 1.201083       1.429150  4.068151       3.746656  0.7128860      1.546045  212.8423 104.1286 169.4058 78.01791 43.43651       130.1137 
1 1 1 -15 24 6  o 172.6189 60.30959 0.3366514      1.364469  2.175776       4.200177  0.1196614      1.442719  192.7472 96.84832 152.4907 71.89846 40.25648       120.6192 
1 1 1 -15 25 1  o 186.7150 62.19278 2.152618       1.558749  1.200819       3.898654  2.333717       1.700587  175.1461 88.60727 198.2839 87.29559 -23.13776      124.3856 
1 1 1 -15 25 2  o 156.4496 51.21543 0.3230592      1.029724  -1.186804      1.505920  1.648943       1.411191  128.5139 63.48282 184.3852 80.38663 -55.87128      102.4309 
1 1 1 -14 0  1  o 253.8464 97.46075 2.377946       2.493407  2.377946       2.493407  2.377946       2.493407  253.8464 137.8303 253.8464 137.8303 0.000000       0.000000 
1 1 1 -14 0  2  o 185.4920 82.65475 0.4433074      2.321436  0.4433074      2.321436  0.4433074      2.321436  185.4920 116.8915 185.4920 116.8915 0.000000       0.000000 
1 1 1 -14 0  3  o 879.0393 59.93678 20.29538       3.691698  20.29538       3.691698  20.29538       3.691698  879.0393 84.76340 879.0393 84.76340 0.000000       0.000000 
1 1 1 -14 0  4  o 199.2803 84.73048 1.060797       2.184627  1.060797       2.184627  1.060797       2.184627  199.2803 119.8270 199.2803 119.8270 0.000000       0.000000 
1 1 1 -14 0  5  o 413.1059 75.65348 5.160007       1.933785  5.160007       1.933785  5.160007       1.933785  413.1059 106.9902 413.1059 106.9902 0.000000       0.000000 
1 1 1 -14 0  6  o 1287.393 53.86641 42.81874       4.925298  42.81874       4.925298  42.81874       4.925298  1287.393 76.17860 1287.393 76.17860 0.000000       0.000000 
1 1 1 -14 0  7  o 1588.888 56.14118 65.15561       6.350276  65.15561       6.350276  65.15561       6.350276  1588.888 79.39561 1588.888 79.39561 -0.000000      0.000000 
1 1 1 -14 0  8  o 79.52327 40.07486 -1.446145      1.006233  -1.446145      1.006233  -1.446145      1.006233  79.52327 56.67440 79.52327 56.67440 -0.000000      0.000000 
1 1 1 -14 0  9  o 1071.346 36.40607 29.45145       2.777855  29.45145       2.777855  29.45145       2.777855  1071.346 51.48595 1071.346 51.48595 -0.000000      0.000000 
1 1 1 -14 0  10 o 482.7945 51.60215 6.378171       1.663188  6.378171       1.663188  6.378171       1.663188  482.7945 72.97646 482.7945 72.97646 -0.000000      0.000000 
1 1 1 -14 0  11 o 284.7516 72.81000 2.797802       1.361695  2.797802       1.361695  2.797802       1.361695  284.7516 102.9689 284.7516 102.9689 -0.000000      0.000000 
1 1 1 -14 0  12 o 806.0102 40.69386 16.96585       2.320872  16.96585       2.320872  16.96585       2.320872  806.0102 57.54980 806.0102 57.54980 -0.000000      0.000000 
1 1 1 -14 0  13 o 202.2895 85.81870 1.343638       2.231081  1.343638       2.231081  1.343638       2.231081  202.2895 121.3660 202.2895 121.3660 0.000000       0.000000 
1 1 1 -14 0  14 o 444.9974 101.5468 6.966656       2.857801  6.966656       2.857801  6.966656       2.857801  444.9974 143.6088 444.9974 143.6088 -0.000000      0.000000 
1 1 1 -14 0  15 f 187.6945 74.21816 1.396725       1.493328  1.396725       1.493328  1.396725       1.493328  187.6945 104.9603 187.6945 104.9603 -0.000000      0.000000 
1 1 1 -14 0  16 o 487.8458 69.27074 7.211299       2.145397  7.211299       2.145397  7.211299       2.145397  487.8458 97.96362 487.8458 97.96362 0.000000       0.000000 
1 1 1 -14 0  17 o 206.0554 82.32314 1.913971       1.862701  1.913971       1.862701  1.913971       1.862701  206.0554 116.4225 206.0554 116.4225 0.000000       0.000000 
1 1 1 -14 0  18 o 217.6446 82.86182 2.289424       1.788325  2.289424       1.788325  2.289424       1.788325  217.6446 117.1843 217.6446 117.1843 0.000000       0.000000 
1 1 1 -14 0  19 o 222.9259 90.27001 2.700675       2.279956  2.700675       2.279956  2.700675       2.279956  222.9259 127.6611 222.9259 127.6611 -0.000000      0.000000 
1 1 1 -14 0  20 o 137.0879 65.84990 -0.7842673E-01 1.953686  -0.7842673E-01 1.953686  -0.7842673E-01 1.953686  137.0879 93.12582 137.0879 93.12582 0.000000       0.000000 
1 1 1 -14 1  1  o 315.2392 74.88927 2.496891       1.420432  3.037671       1.745522  1.436775       2.443945  338.0551 96.95524 292.4232 114.1635 45.63190       149.7785 
1 1 1 -14 1  2  o 1690.524 58.35357 73.00198       4.994274  73.00198       4.994274  0.000000       0.000000  1690.524 58.35357 ?        ?        ?              ?        
1 1 1 -14 1  3  o 477.9521 79.24924 6.029806       1.850442  6.029806       1.850442  0.000000       0.000000  477.9521 79.24924 ?        ?        ?              ?        
1 1 1 -14 1  4  f 476.0580 77.84991 6.123755       1.838904  6.886642       2.696114  5.460146       2.514572  504.0950 108.8311 448.0210 111.3473 56.07397       155.6998 
1 1 1 -14 1  5  o 1760.846 59.33717 79.31562       5.289709  0.000000       0.000000  79.31562       5.289709  ?        ?        1760.846 59.33717 ?              ?        
1 1 1 -14 1  6  o 1042.404 52.97618 28.12678       2.776469  27.93632       3.878846  28.32690       3.975996  1038.977 74.23044 1045.831 75.60253 -6.853638      105.9524 
1 1 1 -14 1  7  o 944.5979 46.61872 23.31221       2.074882  23.89336       2.547719  22.16755       3.575573  965.6989 52.30564 923.4969 77.18382 42.20203       93.23744 
1 1 1 -14 1  8  o 1298.767 37.71497 43.17083       2.478303  41.45929       3.507404  44.87741       3.502300  1272.765 54.43196 1324.769 52.21912 -52.00427      75.42994 
1 1 1 -14 1  9  o 601.0936 43.19772 9.467589       1.274218  11.24445       1.801121  7.687194       1.802913  660.1868 54.37153 542.0005 67.14095 118.1863       86.39543 
1 1 1 -14 1  10 o 652.3791 39.14795 10.99400       1.279357  11.62379       1.858691  10.42700       1.763618  670.2399 55.26927 634.5183 55.45770 35.72156       78.29591 
1 1 1 -14 1  11 o 408.2715 50.30583 4.454656       0.9974349 5.234978       1.451010  3.755614       1.373363  444.1297 66.58445 372.4133 75.42690 71.71640       100.6117 
1 1 1 -14 1  12 o 749.5859 40.80701 14.60249       1.533458  15.66644       2.257176  13.69051       2.089760  774.8804 57.95666 724.2914 57.46193 50.58899       81.61402 
1 1 1 -14 1  13 o 302.0026 72.22733 2.319976       1.404407  3.554037       1.927109  0.9222378      2.050931  353.4318 102.0218 250.5734 102.2678 102.8584       144.4547 
1 1 1 -14 1  14 o 346.9772 74.79623 3.417428       1.369790  3.501149       2.454341  3.379552       1.650811  349.6660 117.4364 344.2885 92.66394 5.377502       149.5925 
1 1 1 -14 1  15 o 608.1018 45.99452 9.926741       1.392830  9.648561       1.985912  10.19605       1.953993  598.7980 66.63856 617.4055 63.41362 -18.60748      91.98904 
1 1 1 -14 1  16 o 318.1391 69.98650 2.979800       1.245402  2.751614       1.917063  3.146421       1.638166  308.6664 103.7889 327.6119 93.91652 -18.94556      139.9730 
1 1 1 -14 1  17 o 241.3766 68.82012 1.199177       1.299905  0.9034060      1.913760  1.452522       1.771192  234.3452 97.52163 248.4080 97.13068 -14.06273      137.6402 
1 1 1 -14 1  18 o 319.2469 75.96418 3.276606       1.485489  3.946268       2.026809  2.499377       2.183532  349.1115 105.6411 289.3822 109.1888 59.72925       151.9284 
1 1 1 -14 1  19 o 204.2132 64.82316 -0.1012116     1.393890  -0.2851768     1.951805  0.9027477E-01  1.991304  198.9924 90.10616 209.4339 93.21507 -10.44144      129.6463 
1 1 1 -14 1  20 o 241.4223 70.54818 0.9101664      1.533705  -1.004316      2.161307  2.852105       2.176750  190.5483 89.26050 292.2963 109.2737 -101.7480      141.0964 
1 1 1 -14 2  1  o 1920.116 52.41671 93.50498       4.828900  90.97427       5.912107  98.57703       8.369747  1885.890 61.92162 1954.343 84.59173 -68.45325      104.8334 
1 1 1 -14 2  2  o 1494.330 80.02892 57.67141       6.032500  57.67141       6.032500  0.000000       0.000000  1494.330 80.02892 ?        ?        ?              ?        
1 1 1 -14 2  3  o 605.9138 56.12523 9.249105       1.618891  8.363904       1.997983  10.94110       2.762296  566.5500 71.23259 645.2775 86.75301 -78.72748      112.2505 
1 1 1 -14 2  4  o 875.3162 41.00777 19.65963       1.805246  19.83707       2.615901  19.49827       2.494436  878.8628 59.13576 871.7695 56.82880 7.093262       82.01555 
1 1 1 -14 2  5  o 697.3870 102.7985 12.95079       3.520623  0.000000       0.000000  12.95079       3.520623  ?        ?        697.3870 102.7985 ?              ?        
1 1 1 -14 2  6  o 625.9174 86.75056 10.33480       2.675080  0.000000       0.000000  10.33480       2.675080  ?        ?        625.9174 86.75056 ?              ?        
1 1 1 -14 2  7  o 843.4457 55.98190 18.55723       2.359036  18.33635       3.414204  18.75901       3.263275  837.8704 81.51988 849.0209 76.74896 -11.15045      111.9638 
1 1 1 -14 2  8  o 792.9309 38.58572 16.17018       1.539409  16.07799       2.187627  16.26061       2.166632  790.5842 54.99891 795.2776 54.13458 -4.693420      77.17145 
1 1 1 -14 2  9  o 415.9197 53.31036 4.616061       1.081174  4.647799       1.524467  4.583941       1.533596  417.5263 74.86967 414.3130 75.91119 3.213287       106.6207 
1 1 1 -14 2  10 o 362.0433 54.59015 3.559470       0.9753773 4.521407       1.394867  2.639068       1.364421  412.2678 69.28750 311.8188 84.37760 100.4489       109.1803 
1 1 1 -14 2  11 o 454.6457 49.19851 5.604961       1.074383  4.744742       1.597299  6.315701       1.451902  418.7280 78.22435 490.5634 59.69023 -71.83542      98.39702 
1 1 1 -14 2  12 o 725.0425 41.67296 13.81594       1.505494  12.99570       2.218802  14.51574       2.049450  703.2446 62.98745 746.8403 54.58135 -43.59564      83.34592 
1 1 1 -14 2  13 o 580.8845 65.72197 9.532956       1.830121  11.33720       2.536607  7.574131       2.643038  647.1920 79.06069 514.5770 105.0091 132.6149       131.4439 
1 1 1 -14 2  14 o 943.6273 51.45505 24.31156       2.217438  22.78496       3.980497  24.99849       2.670126  909.7722 87.50059 977.4825 54.16766 -67.71033      102.9101 
1 1 1 -14 2  15 o 676.0425 62.72822 13.14098       1.888386  13.77544       2.287253  11.78254       3.346799  718.1437 63.56665 633.9412 108.1601 84.20251       125.4564 
1 1 1 -14 2  16 o 219.6671 64.50056 0.5390501      1.209081  1.251837       1.701766  -0.1875263     1.718148  242.3540 95.08305 196.9802 87.18084 45.37378       129.0011 
1 1 1 -14 2  17 f 345.9906 71.68204 3.504845       1.393197  5.366158       2.128792  2.110350       1.842604  416.7471 101.7757 275.2341 100.9701 141.5130       143.3641 
1 1 1 -14 2  18 o 386.3253 66.24342 4.765544       1.503644  7.960015       2.093433  1.361134       2.161129  521.2938 82.03249 251.3567 104.0357 269.9371       132.4868 
1 1 1 -14 2  19 f 355.9840 81.10338 4.365116       1.725762  5.578619       2.411947  3.092196       2.470290  404.5294 113.2729 307.4387 116.1046 97.09064       162.2068 
1 1 1 -14 2  20 f 236.3298 71.30267 1.122534       1.499169  1.340711       2.231265  0.9429844      2.024128  244.3964 103.7159 228.2633 97.87386 16.13310       142.6053 
1 1 1 -14 3  1  o 1054.864 49.07280 28.88434       2.466327  29.36220       3.051158  27.98353       4.189188  1070.709 56.48706 1039.019 80.26066 31.69006       98.14561 
1 1 1 -14 3  2  o 647.0430 45.87449 10.69576       1.473035  9.546027       1.959022  12.19145       2.234411  607.1735 64.72768 686.9125 65.02464 -79.73901      91.74899 
1 1 1 -14 3  3  o 1178.144 45.36166 34.28998       2.567120  31.58788       3.125307  39.89422       4.500906  1112.126 55.50796 1244.163 71.76061 -132.0371      90.72331 
1 1 1 -14 3  4  o 836.1613 51.41496 17.89562       2.008985  18.69876       3.577004  17.52553       2.428122  846.4839 84.60048 825.8387 58.45296 20.64520       102.8299 
1 1 1 -14 3  5  o 701.8786 64.64119 12.73648       2.271155  0.000000       0.000000  12.73648       2.271155  ?        ?        701.8786 64.64119 ?              ?        
1 1 1 -14 3  6  o 850.3354 48.55756 17.62812       1.973869  22.28100       3.493548  15.44628       2.392313  926.7109 75.10881 773.9600 61.56310 152.7510       97.11513 
1 1 1 -14 3  7  o 1333.801 47.17175 45.89803       2.986886  46.06142       3.656794  45.57051       5.177345  1342.052 53.82045 1325.549 77.48582 16.50317       94.34349 
1 1 1 -14 3  8  o 1407.348 48.28033 52.01642       3.201294  53.75973       3.925058  48.55256       5.532733  1449.182 53.49824 1365.513 80.38595 83.66882       96.56067 
1 1 1 -14 3  9  o 1415.280 49.41121 53.14774       3.261819  48.45684       5.696481  55.43603       3.978637  1360.172 83.12248 1470.387 53.44647 -110.2142      98.82243 
1 1 1 -14 3  10 o 551.5586 57.53062 8.090580       1.437043  8.214354       2.582539  8.035067       1.729535  548.9584 96.44244 554.1588 62.75304 -5.200439      115.0612 
1 1 1 -14 3  11 o 389.2295 53.67525 4.062691       1.012598  4.457518       1.547253  3.766895       1.339228  405.2868 78.24117 373.1722 73.50134 32.11453       107.3505 
1 1 1 -14 3  12 o 763.5258 40.25820 15.21143       1.544724  15.41248       2.210084  15.01940       2.159919  768.3664 57.22432 758.6851 56.64156 9.681335       80.51640 
1 1 1 -14 3  13 o 341.9992 64.76055 3.122324       1.159263  2.129311       1.504495  4.573477       1.818736  281.3090 91.85634 402.6894 91.31335 -121.3804      129.5211 
1 1 1 -14 3  14 o 1276.061 51.24273 44.12865       3.061287  42.05385       5.342695  45.14279       3.735257  1238.750 85.71787 1313.373 56.17575 -74.62317      102.4855 
1 1 1 -14 3  15 o 1053.535 49.48452 28.95168       2.508218  26.84516       3.077342  33.12059       4.329165  1005.784 60.71950 1101.286 78.15378 -95.50146      98.96904 
1 1 1 -14 3  16 o 305.0184 59.73227 2.661963       1.164299  0.7481939E-01  1.781102  4.592414       1.538537  207.0458 90.28674 402.9911 78.23096 -195.9453      119.4645 
1 1 1 -14 3  17 o 249.2598 62.24554 1.217415       1.174716  3.149775       1.633384  -0.8529286     1.690696  322.0483 94.20454 176.4713 81.38510 145.5771       124.4911 
1 1 1 -14 3  18 o 227.7763 66.71828 0.8591855      1.233379  1.636750       1.990628  0.3746846      1.571337  255.4249 101.9975 200.1276 86.03394 55.29727       133.4366 
1 1 1 -14 3  19 o 238.9226 73.01729 0.5487316      1.612197  2.171806       2.559821  -0.5183372     2.075567  279.0051 114.1060 198.8400 91.13686 80.16510       146.0346 
1 1 1 -14 3  20 o 354.9461 99.55486 4.834194       2.159085  7.214238       7.281878  4.604790       2.260745  351.8590 164.5114 358.0333 112.1636 -6.174316      199.1097 
1 1 1 -14 4  1  o 265.0383 74.10183 1.014756       1.475475  0.5803046      2.001614  1.531753       2.183503  245.1199 100.6492 284.9568 108.7845 -39.83685      148.2037 
1 1 1 -14 4  2  o 962.8884 50.52874 24.40518       2.357995  22.02591       3.757783  25.95049       3.028430  920.3398 81.49173 1005.437 59.76379 -85.09729      101.0575 
1 1 1 -14 4  3  f 716.9099 56.70258 13.41114       1.850653  13.42726       3.355198  13.40408       2.218680  712.7657 95.37063 721.0540 61.36100 -8.288208      113.4052 
1 1 1 -14 4  4  o 1104.339 47.79591 31.78751       2.477001  30.26305       4.322897  32.53269       3.022361  1079.957 79.62671 1128.721 52.89027 -48.76404      95.59181 
1 1 1 -14 4  5  o 882.3029 39.56725 19.95400       1.756920  19.17514       2.427801  20.81035       2.545710  864.2206 55.78662 900.3851 56.12593 -36.16443      79.13449 
1 1 1 -14 4  6  o 1638.084 50.69968 70.16384       3.930846  66.35600       6.769640  72.10077       4.828174  1597.762 83.98395 1678.406 56.82012 -80.64417      101.3994 
1 1 1 -14 4  7  o 1485.438 39.02174 56.48385       2.934446  57.22163       4.161773  55.75440       4.138194  1495.145 54.98083 1475.730 55.38857 19.41492       78.04348 
1 1 1 -14 4  8  o 810.9859 49.98140 17.71184       1.860295  18.80886       2.272054  15.48063       3.240268  855.5361 52.71284 766.4357 84.93478 89.10046       99.96280 
1 1 1 -14 4  9  o 1116.509 37.43400 31.99158       2.114630  30.69244       2.990841  33.29020       2.990236  1093.529 54.02308 1139.489 51.83363 -45.96021      74.86800 
1 1 1 -14 4  10 o 536.5167 56.88815 7.669631       1.412016  7.605185       1.731578  7.797540       2.439443  538.0261 64.87946 535.0073 93.46498 3.018860       113.7763 
1 1 1 -14 4  11 o 580.9929 57.21822 9.184197       1.570737  9.512980       1.993387  8.645700       2.551105  600.4178 66.70496 561.5680 92.98465 38.84979       114.4364 
1 1 1 -14 4  12 o 356.8690 64.63372 4.112683       1.296550  0.7920290      2.391209  5.495486       1.543071  261.4279 108.9192 452.3101 69.61808 -190.8822      129.2674 
1 1 1 -14 4  13 o 657.9205 65.68827 12.20264       2.082253  10.09476       3.023723  14.10384       2.871660  594.9371 104.1857 720.9040 80.03210 -125.9669      131.3765 
1 1 1 -14 4  14 o 643.2573 65.37303 11.06500       2.099374  0.000000       0.000000  11.06500       2.099374  ?        ?        643.2573 65.37303 ?              ?        
1 1 1 -14 4  15 o 256.8800 71.65681 1.385277       1.385292  1.976098       1.661720  0.3916137E-01  2.508252  272.9082 96.42085 240.8517 106.0274 32.05653       143.3136 
1 1 1 -14 4  16 o 257.8977 65.71518 1.655268       1.155250  0.6875383      1.671958  2.539370       1.598084  220.0995 91.33615 295.6959 94.50739 -75.59637      131.4304 
1 1 1 -14 4  17 o 474.8277 64.03768 6.644682       1.469650  7.305147       2.268975  6.167327       1.928973  492.2755 94.47691 457.3799 86.47203 34.89557       128.0754 
1 1 1 -14 4  18 o 289.1309 66.58983 2.639283       1.279729  0.4858479      2.156142  3.810461       1.590094  226.1752 98.96393 352.0866 89.12329 -125.9114      133.1797 
1 1 1 -14 4  19 o 262.5717 77.85439 1.683572       1.697553  1.188365       3.013821  1.913685       2.054446  262.6035 115.8824 262.5397 104.0024 0.6381226E-01  155.7088 
1 1 1 -14 4  20 o 381.4500 97.63142 6.284774       2.245149  6.676435       7.566967  6.246966       2.351016  340.8470 161.8752 422.0530 109.1970 -81.20609      195.2628 
1 1 1 -14 5  1  o 1129.086 46.95280 32.46764       2.570280  34.15032       4.307727  31.53742       3.202886  1149.168 74.44272 1109.004 57.24112 40.16370       93.90561 
1 1 1 -14 5  2  o 284.3352 71.85485 1.823503       1.326857  1.212885       2.000230  2.303346       1.773145  266.0088 103.4387 302.6616 99.76425 -36.65283      143.7097 
1 1 1 -14 5  3  o 948.5233 50.08821 23.26422       2.196579  23.25597       3.963384  23.26787       2.638940  944.4553 83.75883 952.5912 54.95245 -8.135864      100.1764 
1 1 1 -14 5  4  o 1043.021 38.60430 27.88883       2.030945  28.37832       2.861477  27.39194       2.883023  1052.434 53.88533 1033.607 55.29502 18.82715       77.20860 
1 1 1 -14 5  5  o 936.8827 38.22684 22.54208       1.802971  21.54481       2.573778  23.50301       2.526453  916.0544 55.76198 957.7109 52.30455 -41.65649      76.45367 
1 1 1 -14 5  6  o 421.1804 73.93211 4.460590       1.498704  6.221263       2.653869  3.636170       1.815995  476.0773 111.9830 366.2835 96.55903 109.7938       147.8642 
1 1 1 -14 5  7  o 527.9860 44.69132 7.256415       1.170180  7.035334       1.621624  7.496613       1.690281  519.5554 62.93397 536.4166 63.47102 -16.86115      89.38264 
1 1 1 -14 5  8  o 360.2205 66.44498 3.652559       1.167104  3.938755       1.383045  2.944641       2.175181  383.8028 73.85876 336.6382 110.4745 47.16467       132.8900 
1 1 1 -14 5  9  o 1242.144 37.47134 39.61789       2.356333  40.11709       3.346486  39.12702       3.318409  1249.940 52.88299 1234.348 53.10175 15.59265       74.94268 
1 1 1 -14 5  10 o 293.7671 59.45566 2.240764       1.006045  3.536212       1.434542  0.9870062      1.411270  359.9345 80.71508 227.5997 87.32112 132.3348       118.9113 
1 1 1 -14 5  11 o 256.3245 63.61444 1.601254       1.048800  0.8984036      1.635379  2.092286       1.366917  233.3201 92.67577 279.3288 87.16875 -46.00867      127.2289 
1 1 1 -14 5  12 o 395.3825 67.97619 4.374796       1.318040  4.200283       1.671393  4.661801       2.143427  387.7949 87.24341 402.9701 104.2671 -15.17514      135.9524 
1 1 1 -14 5  13 f 447.6238 64.58057 5.752014       1.398158  6.293921       1.847558  5.025749       2.138862  478.6411 79.00018 416.6064 102.1840 62.03470       129.1611 
1 1 1 -14 5  14 o 331.6776 123.3964 2.977217       2.769160  0.000000       0.000000  2.977217       2.769160  ?        ?        331.6776 123.3964 ?              ?        
1 1 1 -14 5  15 o 210.1317 67.18581 -0.6152595     1.520982  -0.5607512     2.264004  -0.6600974     2.053374  216.3478 97.58805 203.9156 92.37048 12.43214       134.3716 
1 1 1 -14 5  16 o 561.4274 55.93573 8.888343       1.544944  8.834646       2.215172  8.939199       2.155800  558.6547 80.65752 564.2001 77.52152 -5.545410      111.8715 
1 1 1 -14 5  17 o 415.8719 64.42778 5.104051       1.328382  7.077492       2.026828  3.618053       1.758790  490.8152 84.62322 340.9285 97.17339 149.8868       128.8556 
1 1 1 -14 5  18 o 267.9460 67.05993 1.642383       1.454858  -1.844939      2.306617  3.946254       1.874815  186.3645 88.75629 349.5276 100.5508 -163.1631      134.1199 
1 1 1 -14 5  19 o 256.3386 75.52359 1.592465       1.639113  1.062174       2.455525  2.018659       2.201359  245.6806 106.5798 266.9967 107.0327 -21.31613      151.0472 
1 1 1 -14 5  20 o 334.2758 89.02316 4.769484       2.087407  -0.2771789     7.550667  5.187099       2.172058  286.8319 141.7737 381.7196 107.7066 -94.88773      178.0463 
1 1 1 -14 6  1  o 1485.011 49.61932 58.02119       3.508555  53.04719       5.908212  60.73082       4.360727  1429.241 81.99496 1540.781 55.90289 -111.5400      99.23864 
1 1 1 -14 6  2  o 1263.046 47.73034 41.88097       2.908454  38.11227       4.750398  44.14080       3.678513  1212.350 77.80685 1313.743 55.30676 -101.3934      95.46069 
1 1 1 -14 6  3  o 954.3657 39.98935 23.27757       1.916323  26.23666       2.808615  20.70010       2.621256  1011.390 55.05903 897.3413 58.00945 114.0489       79.97870 
1 1 1 -14 6  4  o 1109.694 37.68047 31.48719       2.116289  32.35783       2.992616  30.61622       2.993154  1125.195 52.53389 1094.193 54.03205 31.00208       75.36095 
1 1 1 -14 6  5  o 1364.664 45.54409 46.53966       3.027200  52.61686       5.148551  43.32862       3.742450  1428.634 71.18368 1300.694 56.83257 127.9402       91.08818 
1 1 1 -14 6  6  o 1730.782 61.22614 78.13483       5.353958  78.91431       7.506490  77.32767       7.638516  1741.393 85.14446 1720.172 88.00556 21.22144       122.4523 
1 1 1 -14 6  7  o 1084.829 49.36769 30.52809       2.484841  30.35934       4.471182  30.60350       2.988915  1076.834 82.64486 1092.823 54.02316 -15.98987      98.73537 
1 1 1 -14 6  8  o 560.7406 58.19694 8.512953       1.485025  8.791092       1.813957  7.947700       2.585936  580.7159 62.69381 540.7652 98.06641 39.95074       116.3939 
1 1 1 -14 6  9  o 908.7935 37.54779 21.30660       1.719911  20.93998       2.425653  21.67728       2.439044  900.8027 53.42681 916.7843 52.77235 -15.98163      75.09557 
1 1 1 -14 6  10 o 390.0717 55.19925 4.129584       1.048014  4.211171       1.560825  4.062603       1.414226  392.7103 81.18734 387.4332 74.80939 5.277039       110.3985 
1 1 1 -14 6  11 o 354.7046 55.64774 3.358249       0.9936342 5.075088       1.507510  2.039429       1.321260  434.1271 71.04819 275.2820 85.66702 158.8451       111.2955 
1 1 1 -14 6  12 o 400.9547 66.28960 4.659380       1.291794  5.003940       1.619256  4.056210       2.142414  427.1469 77.74216 374.7626 107.3937 52.38425       132.5792 
1 1 1 -14 6  13 o 805.3702 41.47626 17.12625       1.675049  15.82207       2.371317  18.42507       2.366446  773.2410 61.07177 837.4994 56.13696 -64.25836      82.95251 
1 1 1 -14 6  14 o 165.2450 75.05692 -0.6248738     1.367153  0.000000       0.000000  -0.6248738     1.367153  ?        ?        165.2450 75.05692 ?              ?        
1 1 1 -14 6  15 o 229.7082 68.17135 -0.1708082     1.418125  -1.743293      1.837114  2.147816       2.230787  169.9637 80.43848 289.4528 110.0863 -119.4890      136.3427 
1 1 1 -14 6  16 o 322.5455 82.31183 2.810985       1.573372  2.225927       1.844497  4.373904       3.014719  281.0378 101.3363 364.0532 129.7378 -83.01538      164.6237 
1 1 1 -14 6  17 o 275.0193 73.20570 1.994884       1.284653  2.882037       2.385774  1.632625       1.524542  304.1742 114.2652 245.8645 91.54108 58.30971       146.4114 
1 1 1 -14 6  18 o 226.5625 70.02529 0.4795871      1.429879  1.315411       2.513618  0.7972741E-01  1.738584  255.3462 109.2658 197.7789 87.60796 57.56731       140.0506 
1 1 1 -14 6  19 o 195.6440 64.28616 -0.9021577     1.570366  -2.576942      2.558604  0.1100213      1.989080  184.4342 89.26603 206.8538 92.53333 -22.41962      128.5723 
1 1 1 -14 7  1  f 594.0558 50.38279 9.234135       1.481390  9.490154       2.048303  8.953359       2.145048  603.5689 68.23032 584.5428 74.15069 19.02612       100.7656 
1 1 1 -14 7  2  o 199.4177 61.98642 -0.4926968     1.225407  -1.109027      1.722147  0.1393986      1.744034  182.0658 83.28929 216.7696 91.82679 -34.70375      123.9728 
1 1 1 -14 7  3  o 687.3488 45.23928 12.23791       1.545595  14.02416       2.225359  10.57325       2.148280  737.1047 60.15767 637.5930 67.58273 99.51172       90.47856 
1 1 1 -14 7  4  o 212.9828 59.98180 0.5916638      0.9809723 0.2197121      1.366931  0.9866474      1.408617  196.4043 82.13374 229.5614 87.43748 -33.15706      119.9636 
1 1 1 -14 7  5  o 700.2234 41.56957 12.63812       1.453989  11.19942       2.009365  14.21939       2.106581  657.6573 61.04596 742.7895 56.44031 -85.13220      83.13914 
1 1 1 -14 7  6  o 251.6227 62.59708 1.452699       0.9851508 1.238303       1.313784  1.728111       1.489045  236.5600 85.48929 266.6854 91.46125 -30.12543      125.1942 
1 1 1 -14 7  7  o 428.1772 74.08968 5.314791       1.505446  4.102189       2.832490  5.792188       1.777253  390.3242 125.9329 466.0303 78.08981 -75.70605      148.1794 
1 1 1 -14 7  8  o 551.8257 56.65812 7.822367       1.441643  7.306418       1.736139  8.968197       2.587265  527.2614 66.51947 576.3901 91.73728 -49.12872      113.3162 
1 1 1 -14 7  9  o 379.7733 56.27357 3.755594       1.030578  4.904823       1.667971  3.045966       1.310692  425.4332 80.38728 334.1133 78.77021 91.31992       112.5471 
1 1 1 -14 7  10 o 1100.041 38.36240 31.33876       2.131126  31.22353       3.071401  31.44575       2.959449  1096.902 55.48804 1103.180 52.98841 -6.277954      76.72480 
1 1 1 -14 7  11 o 260.3343 61.54137 1.545463       1.010302  2.758727       1.518680  0.5822441      1.353166  314.7248 90.48623 205.9437 83.43623 108.7811       123.0827 
1 1 1 -14 7  12 o 191.2016 57.96971 0.6323075E-01  1.012974  0.4048563      1.386574  -0.3278001     1.483451  200.1250 83.12262 182.2781 80.82438 17.84694       115.9394 
1 1 1 -14 7  13 o 356.0613 68.14082 1.903116       1.192948  7.712734       2.730038  0.5319975      1.326271  511.4867 108.7739 200.6359 82.10319 310.8508       136.2816 
1 1 1 -14 7  14 o 373.0599 74.57284 4.112014       1.390956  4.146368       2.586727  4.098040       1.649775  368.6418 120.4486 377.4780 87.95776 -8.836243      149.1457 
1 1 1 -14 7  15 o 1023.023 46.37769 27.90688       2.361088  25.94551       3.071923  30.73811       3.690776  982.9335 62.04937 1063.113 68.94518 -80.17908      92.75539 
1 1 1 -14 7  16 o 283.9348 72.63856 2.191649       1.302044  3.011342       2.169165  1.729968       1.627939  312.9756 110.2081 254.8940 94.65530 58.08170       145.2771 
1 1 1 -14 7  17 o 255.6560 67.75856 1.825709       1.195410  1.457309       1.768518  2.135630       1.622088  243.1339 96.43737 268.1782 95.20883 -25.04437      135.5171 
1 1 1 -14 7  18 o 289.2043 83.64925 2.361980       1.964509  1.304731       2.648402  3.655349       2.929250  256.6554 111.0133 321.7534 125.1592 -65.09799      167.2985 
1 1 1 -14 7  19 o 608.8719 113.6016 12.77664       3.373015  12.77664       3.373015  0.000000       0.000000  608.8719 113.6016 ?        ?        ?              ?        
1 1 1 -14 8  1  o 1193.869 40.91566 36.61930       2.465093  36.21172       3.572960  36.98956       3.405409  1186.313 59.68081 1201.426 55.98720 -15.11316      81.83132 
1 1 1 -14 8  2  o 964.4586 42.10688 23.93326       2.042520  25.87454       2.939378  22.12066       2.840289  1002.757 58.14936 926.1606 60.91476 76.59595       84.21375 
1 1 1 -14 8  3  o 779.5872 43.44064 15.69584       1.699801  15.05756       2.370107  16.37185       2.439143  763.0662 61.88412 796.1083 60.98124 -33.04211      86.88127 
1 1 1 -14 8  4  o 718.1871 42.19573 13.32696       1.519867  13.76726       2.177284  12.90850       2.122591  729.8829 59.43834 706.4915 59.90829 23.39142       84.39146 
1 1 1 -14 8  5  f 1404.572 38.74056 50.60342       2.753631  51.32803       3.856106  49.84944       3.933492  1415.149 53.82242 1393.994 55.73573 21.15454       77.48112 
1 1 1 -14 8  6  o 1694.268 40.36420 73.76385       3.461582  73.63903       4.845371  73.89395       4.947045  1693.049 56.52933 1695.487 57.63253 -2.437988      80.72839 
1 1 1 -14 8  7  o 1339.763 49.95514 46.82305       3.142237  46.30322       5.543651  47.06912       3.814119  1326.731 82.94979 1352.795 55.69016 -26.06470      99.91027 
1 1 1 -14 8  8  o 1492.625 50.31692 59.58998       3.501035  62.19415       4.270796  54.25441       6.113160  1553.837 54.28999 1431.413 84.73350 122.4241       100.6338 
1 1 1 -14 8  9  o 1202.034 38.64947 37.43639       2.345562  35.07460       3.363685  39.67179       3.272446  1163.919 57.08327 1240.150 52.12125 -76.23035      77.29893 
1 1 1 -14 8  10 o 833.4530 38.91846 18.04259       1.627064  20.21890       2.362860  16.08009       2.243788  882.0922 53.15865 784.8138 56.85722 97.27844       77.83692 
1 1 1 -14 8  11 o 226.8112 61.67659 1.026399       0.9891363 1.124264       1.510512  0.9529298      1.308777  234.8555 90.28351 218.7670 84.05293 16.08849       123.3532 
1 1 1 -14 8  12 o 362.6189 69.49506 3.686728       1.324641  2.703387       1.761565  4.966316       2.009470  310.1920 99.23244 415.0458 97.31998 -104.8538      138.9901 
1 1 1 -14 8  13 o 450.5742 69.30836 5.456070       1.422425  7.177602       2.680038  4.780950       1.678318  489.6805 110.7042 411.4679 83.42174 78.21259       138.6167 
1 1 1 -14 8  14 o 387.9561 75.04469 3.995477       1.475801  6.722069       2.617678  2.725008       1.786851  468.9137 111.8350 306.9985 100.0987 161.9152       150.0894 
1 1 1 -14 8  15 o 360.7899 77.55338 3.990219       1.563231  3.062590       2.122758  5.089338       2.310658  318.8146 109.2052 402.7652 110.1468 -83.95062      155.1068 
1 1 1 -14 8  16 o 440.3987 68.26811 6.286302       1.436383  4.891918       2.423813  7.041059       1.783248  382.7548 115.4586 498.0427 72.87970 -115.2880      136.5362 
1 1 1 -14 8  17 o 215.9975 64.32179 0.5633405      1.310905  -2.256216      2.481609  1.654653       1.543894  187.4173 90.00825 244.5777 91.91130 -57.16042      128.6436 
1 1 1 -14 8  18 o 323.9507 74.88287 3.386893       1.443826  4.863995       2.209926  2.286833       1.907131  375.6332 109.4897 272.2682 102.1850 103.3650       149.7657 
1 1 1 -14 8  19 o 199.8953 64.87239 -0.3843094     1.522629  -1.421171      2.296646  0.4288528      2.033866  187.0227 88.92598 212.7679 94.47686 -25.74521      129.7448 
1 1 1 -14 9  1  o 324.0983 67.59177 2.604902       1.329436  4.527483       1.878426  0.6754227      1.881793  407.6329 93.06762 240.5637 98.04594 167.0693       135.1835 
1 1 1 -14 9  2  o 1171.852 39.78838 35.24209       2.360462  35.47647       3.332383  35.00607       3.344044  1175.844 55.97853 1167.859 56.55851 7.985229       79.57676 
1 1 1 -14 9  3  o 552.6985 53.99436 8.013159       1.464869  7.434473       1.969517  8.729636       2.191491  530.4062 75.47329 574.9909 77.23566 -44.58472      107.9887 
1 1 1 -14 9  4  o 985.5938 40.12155 25.02259       1.993143  24.41858       2.791668  25.65059       2.846595  973.3793 56.89743 997.8083 56.58300 -24.42902      80.24310 
1 1 1 -14 9  5  o 1082.039 37.98751 30.07636       2.075974  31.56902       2.967642  28.64595       2.905097  1109.248 52.84443 1054.830 54.58635 54.41772       75.97502 
1 1 1 -14 9  6  o 430.9576 57.99718 5.260768       1.196500  6.788977       1.619614  3.424656       1.775293  508.5841 64.34136 353.3312 96.51364 155.2529       115.9944 
1 1 1 -14 9  7  o 852.8717 50.99124 18.09608       2.039895  21.99244       3.728094  16.43104       2.437084  911.0012 81.70041 794.7422 61.03662 116.2590       101.9825 
1 1 1 -14 9  8  o 624.0631 44.72221 10.26756       1.382899  9.746309       2.045576  10.70632       1.876742  607.7029 67.63500 640.4232 58.53043 -32.72028      89.44442 
1 1 1 -14 9  9  f 571.5510 58.26614 8.649845       1.578751  8.103655       1.962987  9.650205       2.656584  550.4877 72.17350 592.6143 91.49184 -42.12665      116.5323 
1 1 1 -14 9  10 o 829.3636 39.11374 17.98419       1.631360  17.38449       2.328164  18.56267       2.286582  815.0277 56.77782 843.6995 53.81279 -28.67175      78.22747 
1 1 1 -14 9  11 o 304.5200 68.36060 2.609307       1.248346  3.453296       1.626577  1.399755       1.947235  348.2712 91.18022 260.7687 101.8766 87.50244       136.7212 
1 1 1 -14 9  12 o 227.1236 60.37461 0.8943585      1.071255  -0.8466314     1.693383  2.055978       1.383213  180.9186 82.69901 273.3286 87.98438 -92.40999      120.7492 
1 1 1 -14 9  13 o 689.7519 59.89960 13.02082       1.737149  13.82523       3.538181  12.76532       1.994029  686.2633 105.1911 693.2405 57.32958 -6.977173      119.7992 
1 1 1 -14 9  14 o 675.9678 58.42413 12.75957       1.784861  13.08765       3.238877  12.61649       2.138951  667.9583 98.75429 683.9773 62.45882 -16.01904      116.8483 
1 1 1 -14 9  15 o 204.4357 63.92857 -0.8057410E-01 1.316097  -0.6112477     1.898502  0.4103923      1.826094  193.2339 88.03114 215.6375 92.72523 -22.40363      127.8571 
1 1 1 -14 9  16 o 187.4354 59.60669 -0.1932387     1.158935  -0.9053406     1.995099  0.1694240      1.423786  188.6667 87.49904 186.2042 80.96758 2.462494       119.2134 
1 1 1 -14 9  17 o 174.8449 57.70411 -1.066667      1.201629  -0.1031722     1.980790  -1.627723      1.511530  202.4717 91.30914 147.2181 70.58112 55.25357       115.4082 
1 1 1 -14 9  18 o 215.1234 66.45077 0.5302612      1.383050  -0.5403708E-01 2.089142  0.9861355      1.845326  205.9296 93.23713 224.3173 94.70827 -18.38777      132.9015 
1 1 1 -14 9  19 o 237.1920 73.62545 1.174097       1.694899  0.9126413      2.610554  1.364615       2.228440  235.8756 105.7267 238.5083 102.4924 -2.632629      147.2509 
1 1 1 -14 10 1  o 973.6308 41.93851 24.51006       2.049637  27.22668       2.931471  21.91187       2.866857  1027.518 56.57036 919.7439 61.92857 107.7738       83.87701 
1 1 1 -14 10 2  o 217.8055 64.02299 0.3131709      1.172060  -0.1126150     1.607095  0.7969587      1.713063  199.7897 86.44711 235.8214 94.45989 -36.03177      128.0460 
1 1 1 -14 10 3  o 725.1050 48.98886 13.92239       1.748266  15.41652       2.377262  12.16254       2.580006  770.8115 61.42793 679.3985 76.32984 91.41302       97.97773 
1 1 1 -14 10 4  o 587.7654 47.55138 9.023889       1.384817  8.139592       1.898998  10.02824       2.023809  556.2690 68.90500 619.2618 65.54874 -62.99274      95.10277 
1 1 1 -14 10 5  o 757.7433 41.56960 14.97813       1.572463  16.24909       2.181752  13.60425       2.268373  792.8004 54.69182 722.6862 62.61733 70.11420       83.13919 
1 1 1 -14 10 6  o 627.5161 69.91798 12.48612       1.773373  14.60912       2.107884  7.343736       3.280612  750.5715 55.87182 504.4607 128.1891 246.1108       139.8360 
1 1 1 -14 10 7  o 531.3146 74.11293 9.000027       1.671700  5.604034       3.268201  10.20339       1.945464  438.9546 134.4264 623.6747 62.45365 -184.7201      148.2259 
1 1 1 -14 10 8  o 548.3967 45.76148 7.885029       1.237495  6.830709       1.668064  9.175617       1.845526  506.8146 66.62441 589.9788 62.75062 -83.16425      91.52296 
1 1 1 -14 10 9  o 394.3596 68.32298 4.902683       1.443355  6.510968       1.802118  2.025130       2.410535  490.1776 75.00387 298.5417 114.2214 191.6359       136.6460 
1 1 1 -14 10 10 o 299.8111 64.37256 2.476264       1.057764  2.833445       1.602810  2.200679       1.407882  316.7753 93.50639 282.8469 88.49781 33.92844       128.7451 
1 1 1 -14 10 11 o 305.7054 77.48989 2.509625       1.541467  1.884601       2.342189  2.987201       2.047363  287.5663 111.9013 323.8445 107.2233 -36.27829      154.9798 
1 1 1 -14 10 12 o 562.7145 49.47691 8.615941       1.355490  8.639943       2.109686  8.599066       1.768925  559.6596 76.45794 565.7693 62.81752 -6.109680      98.95381 
1 1 1 -14 10 13 o 334.7757 69.21756 3.780020       1.316565  0.4730037      3.022296  4.554544       1.462636  266.0863 116.7781 403.4650 74.34479 -137.3787      138.4351 
1 1 1 -14 10 14 o 187.2916 59.37804 -0.2487466     1.086727  -0.3038374     1.954066  -0.2240780     1.307590  204.1445 91.49014 170.4387 75.71368 33.70572       118.7561 
1 1 1 -14 10 15 o 287.4167 74.00776 2.391464       1.422914  1.644783       1.983865  3.182552       2.042004  257.6000 102.1513 317.2334 107.1154 -59.63336      148.0155 
1 1 1 -14 10 16 o 224.6398 64.01373 0.8701758      1.298378  -2.650998      2.525935  2.134604       1.513650  183.7684 88.88113 265.5112 92.14758 -81.74283      128.0275 
1 1 1 -14 10 17 o 381.0048 76.96931 4.925829       1.471778  5.309407       2.780212  4.776484       1.734794  372.7922 124.9907 389.2173 89.85777 -16.42502      153.9386 
1 1 1 -14 10 18 o 225.5416 76.34281 -0.2448951     1.580362  0.5164247      4.772708  -0.3386484     1.674846  270.6963 128.5591 180.3869 82.37392 90.30939       152.6856 
1 1 1 -14 11 1  o 413.6061 64.12189 4.694238       1.305001  4.713149       1.813382  4.673923       1.879494  414.9519 88.98930 412.2603 92.34377 2.691650       128.2438 
1 1 1 -14 11 2  f 1111.377 40.92269 31.95083       2.294086  31.12967       3.239125  32.77730       3.249555  1096.734 58.54855 1126.020 57.19031 -29.28638      81.84538 
1 1 1 -14 11 3  o 214.3748 62.42222 0.1697222      1.174142  1.283005       1.587261  -1.175650      1.744884  248.1771 93.20704 180.5725 83.05770 67.60457       124.8444 
1 1 1 -14 11 4  o 648.0649 45.33939 11.01455       1.465194  11.42642       2.040889  10.57649       2.104781  661.5001 61.65065 634.6299 66.49689 26.87018       90.67877 
1 1 1 -14 11 5  o 834.3500 39.99326 18.12068       1.670519  20.19012       2.367276  16.06795       2.357695  883.3317 53.18275 785.3684 59.74476 97.96326       79.98651 
1 1 1 -14 11 6  o 605.8772 43.86092 9.608772       1.320739  10.81452       1.925229  8.536869       1.815233  642.7423 59.85267 569.0121 64.13094 73.73022       87.72183 
1 1 1 -14 11 7  o 651.0296 43.70953 10.99719       1.413167  9.798288       1.870878  12.59002       2.156447  610.1160 61.40306 691.9432 62.22343 -81.82727      87.41905 
1 1 1 -14 11 8  o 499.4365 74.42580 7.940474       1.676346  5.189699       3.124458  9.052374       1.986461  416.7423 132.0350 582.1307 68.72807 -165.3884      148.8516 
1 1 1 -14 11 9  o 454.1777 70.41467 6.072911       1.535862  6.544975       1.938692  5.277328       2.516813  486.9625 81.51891 421.3929 114.8371 65.56958       140.8293 
1 1 1 -14 11 10 o 824.8790 50.98129 18.08643       2.057934  17.15190       2.615518  19.60524       3.334380  801.8499 64.98798 847.9081 78.56799 -46.05829      101.9626 
1 1 1 -14 11 11 o 900.3364 44.34051 21.33970       1.990277  17.94434       2.661434  25.64770       2.997858  818.3068 64.77084 982.3661 60.57277 -164.0594      88.68102 
1 1 1 -14 11 12 o 231.2770 69.68160 0.6487567      1.243074  0.3335077      2.688144  0.7345062      1.401979  252.1549 110.4117 210.3991 85.03745 41.75583       139.3632 
1 1 1 -14 11 13 o 293.3246 66.62510 2.438302       1.126341  3.131906       1.705459  1.901737       1.500018  323.6659 96.67321 262.9834 91.70554 60.68246       133.2502 
1 1 1 -14 11 14 o 278.3252 65.27573 2.413292       1.218631  -0.6237669     2.552272  3.310128       1.386938  221.4080 101.3267 335.2424 82.31993 -113.8344      130.5515 
1 1 1 -14 11 15 o 218.3412 94.57924 0.5236597      1.927967  0.000000       0.000000  0.5236597      1.927967  ?        ?        218.3412 94.57924 ?              ?        
1 1 1 -14 11 16 o 181.7598 80.31338 0.5894201E-01  1.452324  0.000000       0.000000  0.5894201E-01  1.452324  ?        ?        181.7598 80.31338 ?              ?        
1 1 1 -14 11 17 o 252.2079 73.64550 1.398034       1.635294  -0.3197400     2.345585  3.022617       2.281073  208.8235 96.14364 295.5922 111.5842 -86.76872      147.2910 
1 1 1 -14 11 18 o 245.8303 72.20969 1.562475       1.404653  2.494708       2.439354  1.100025       1.718084  272.1425 111.3543 219.5181 91.96294 52.62439       144.4194 
1 1 1 -14 12 1  o 398.5198 66.10282 4.416763       1.310540  4.446363       1.867956  4.388070       1.839146  399.7338 93.89879 397.3058 93.06638 2.428040       132.2056 
1 1 1 -14 12 2  o 806.6976 74.54895 18.05809       2.946648  16.42176       4.269992  19.54581       4.071470  765.9977 113.5456 847.3976 96.63120 -81.39984      149.0979 
1 1 1 -14 12 3  o 447.8278 62.91351 5.518735       1.374569  5.455889       1.893301  5.588784       1.998861  445.7788 87.01414 449.8767 90.88992 -4.097931      125.8270 
1 1 1 -14 12 4  o 762.1387 42.83940 15.28115       1.627546  16.71935       2.259465  13.73016       2.346390  801.6031 56.02764 722.6741 64.82099 78.92902       85.67880 
1 1 1 -14 12 5  o 799.9104 41.56845 16.75608       1.643901  20.61095       2.378195  13.22882       2.274899  890.9963 52.95986 708.8244 64.08586 182.1719       83.13690 
1 1 1 -14 12 6  o 481.3048 55.01476 6.372650       1.278915  5.562483       1.878156  7.073092       1.746347  448.3991 85.86071 514.2104 68.80724 -65.81131      110.0295 
1 1 1 -14 12 7  o 838.2063 40.88010 18.33060       1.706501  17.76768       2.244403  19.10197       2.627288  824.8008 54.04759 851.6119 61.34810 -26.81110      81.76021 
1 1 1 -14 12 8  o 306.4125 78.83382 2.207235       1.434028  3.228077       2.800526  1.844443       1.669509  342.9713 124.6820 269.8537 96.50638 73.11758       157.6676 
1 1 1 -14 12 9  o 403.2081 70.45081 4.260347       1.532497  1.894466       1.959608  7.985663       2.458977  277.7396 103.7100 528.6767 95.38077 -250.9371      140.9016 
1 1 1 -14 12 10 o 238.4088 68.73787 0.8897558      1.331720  1.453318       1.809422  0.2236811      1.967118  255.0661 98.60405 221.7514 95.79573 33.31473       137.4757 
1 1 1 -14 12 11 o 173.9063 54.56078 -0.2643198     0.9630964 -1.204347      1.626842  0.2428914      1.195005  167.5330 78.13852 180.2796 76.17011 -12.74664      109.1216 
1 1 1 -14 12 12 o 312.1439 65.67549 3.210488       1.296737  -0.3426763     2.650739  4.328330       1.486790  234.3367 105.6584 389.9510 78.03448 -155.6143      131.3510 
1 1 1 -14 12 13 o 343.7762 75.75766 3.593633       1.271011  3.534022       3.055322  3.606108       1.397690  335.5274 128.5408 352.0250 80.21317 -16.49753      151.5153 
1 1 1 -14 12 14 o 249.4928 76.24674 0.9328157      1.759096  1.278004       2.595858  0.6396933      2.392091  260.0918 111.1609 238.8938 104.3912 21.19798       152.4935 
1 1 1 -14 12 15 f 276.0687 84.00906 1.598789       2.071243  0.4227636      2.615012  3.578668       3.393005  235.1145 105.5709 317.0230 130.7091 -81.90855      168.0181 
1 1 1 -14 12 16 o 396.3055 68.71873 5.574528       1.360824  4.068222       2.424795  6.267076       1.644158  331.5164 116.5403 461.0946 72.85198 -129.5782      137.4375 
1 1 1 -14 12 17 o 319.5562 69.83398 3.706973       1.551302  0.3167333      2.568559  5.653720       1.946387  225.0882 102.4854 414.0242 94.88880 -188.9359      139.6680 
1 1 1 -14 12 18 o 181.0157 59.78822 -0.7117166     1.365953  0.6970043E-01  1.953681  -1.459005      1.910541  196.1493 89.33684 165.8822 79.48240 30.26707       119.5764 
1 1 1 -14 13 1  o 1385.176 53.22951 50.86275       3.392941  50.71915       4.052078  51.19962       6.206309  1396.311 57.32077 1374.041 89.70982 22.26965       106.4590 
1 1 1 -14 13 2  o 475.8495 73.08405 7.129709       1.626363  8.324838       1.960765  4.494380       2.911626  557.8324 71.04077 393.8667 127.7432 163.9657       146.1681 
1 1 1 -14 13 3  o 476.5211 57.58977 6.222583       1.337775  5.841249       1.896804  6.599998       1.887035  460.3636 84.49763 492.6787 78.27182 -32.31512      115.1795 
1 1 1 -14 13 4  o 656.4144 44.27457 11.35978       1.452123  10.80987       2.004815  11.96668       2.106154  639.5528 62.72487 673.2759 62.50232 -33.72314      88.54913 
1 1 1 -14 13 5  o 776.8131 42.55986 15.88535       1.659922  15.90861       2.384512  15.86348       2.312130  776.9079 61.11771 776.7183 59.24520 0.1896362      85.11973 
1 1 1 -14 13 6  o 269.7772 55.83709 1.960884       0.9033915 3.076991       1.227636  0.6426378      1.334181  333.3252 74.60820 206.2292 83.09476 127.0959       111.6742 
1 1 1 -14 13 7  o 443.2414 73.43911 4.303611       1.503491  9.944359       3.107937  2.580245       1.717880  582.9402 109.3250 303.5426 98.08804 279.3976       146.8782 
1 1 1 -14 13 8  o 644.1002 66.86792 11.75704       1.913789  11.79966       3.505237  11.73893       2.284308  629.1823 114.2497 659.0181 69.51460 -29.83588      133.7358 
1 1 1 -14 13 9  o 589.8778 72.23418 9.521708       2.112114  9.521708       2.112114  0.000000       0.000000  589.8778 72.23418 ?        ?        ?              ?        
1 1 1 -14 13 10 o 167.6076 56.11075 -1.798882      1.282686  -2.744922      1.934841  -1.057098      1.713282  159.5045 77.30703 175.7107 81.34671 -16.20619      112.2215 
1 1 1 -14 13 11 f 472.5976 70.99300 6.186790       1.635746  10.03857       2.716020  3.994518       2.049034  584.9631 94.96782 360.2321 105.5516 224.7310       141.9860 
1 1 1 -14 13 12 o 251.4740 74.46149 1.120828       1.530778  1.099075       2.638927  1.131860       1.879264  262.7048 112.1734 240.2432 97.95503 22.46164       148.9230 
1 1 1 -14 13 13 o 242.2703 62.90877 1.387830       1.191200  -1.076393      2.049299  2.645306       1.463913  189.1711 88.05260 295.3695 89.87097 -106.1983      125.8175 
1 1 1 -14 13 14 o 433.7228 74.68932 6.643196       1.633221  4.913271       2.767510  7.567616       2.023065  364.2476 124.6921 503.1980 82.25481 -138.9504      149.3786 
1 1 1 -14 13 15 o 350.1395 79.53274 4.626592       1.671663  3.361920       2.817608  5.313559       2.076631  304.5421 121.4310 395.7369 102.7440 -91.19485      159.0655 
1 1 1 -14 13 16 o 255.1355 72.11465 1.986589       1.409458  1.281422       2.478830  2.323495       1.713386  243.4826 106.3351 266.7883 97.44198 -23.30569      144.2293 
1 1 1 -14 13 17 o 226.9247 69.34022 1.139578       1.447633  0.7957211      2.343243  1.351822       1.840969  225.2509 100.6220 228.5985 95.43307 -3.347595      138.6804 
1 1 1 -14 14 1  o 279.6380 77.11041 1.757189       1.459297  2.140912       1.640292  0.3006068      3.195801  282.9887 96.00068 276.2873 120.6977 6.701477       154.2208 
1 1 1 -14 14 2  o 561.0847 53.30365 8.620774       1.457841  9.686889       2.027654  7.479927       2.097517  601.3638 67.78201 520.8056 82.28436 80.55817       106.6073 
1 1 1 -14 14 3  o 599.5272 50.00031 9.895412       1.441318  11.09273       1.918764  8.344971       2.183454  647.8630 59.15224 551.1913 80.62961 96.67175       100.0006 
1 1 1 -14 14 4  o 304.4229 81.15977 0.8270442      1.265097  0.1393102      1.354598  5.521551       3.539119  188.2640 80.37713 420.5817 141.0218 -232.3177      162.3195 
1 1 1 -14 14 5  o 405.7730 56.45831 4.566818       1.116642  5.489905       1.639507  3.768127       1.525040  446.6163 75.17999 364.9297 84.25041 81.68658       112.9166 
1 1 1 -14 14 6  o 385.6305 56.46238 4.161641       1.052388  4.101890       1.371291  4.247258       1.641491  385.0312 73.01959 386.2298 86.14025 -1.198669      112.9248 
1 1 1 -14 14 7  o 920.2832 47.13705 22.38202       2.109621  24.28876       3.504893  21.29877       2.641761  944.5627 73.88113 896.0037 58.55925 48.55896       94.27411 
1 1 1 -14 14 8  o 403.2031 91.39409 4.736693       1.822557  0.000000       0.000000  4.736693       1.822557  ?        ?        403.2031 91.39409 ?              ?        
1 1 1 -14 14 9  o 583.1857 77.06693 9.689503       1.892375  9.108363       2.158908  11.61682       3.931607  571.4695 76.54346 594.9019 133.7847 -23.43231      154.1339 
1 1 1 -14 14 10 o 752.2021 46.93885 15.45566       1.767361  15.84062       2.470776  15.05232       2.529096  763.3317 64.53947 741.0726 68.17390 22.25909       93.87770 
1 1 1 -14 14 11 o 240.8312 68.89588 1.227973       1.214992  0.7814888      2.388768  1.383789       1.411162  246.7103 106.0689 234.9521 87.95425 11.75819       137.7918 
1 1 1 -14 14 12 o 557.8247 75.98018 10.85839       1.637884  7.987230       3.608625  11.60334       1.838124  461.0619 141.2636 654.5876 56.00475 -193.5257      151.9604 
1 1 1 -14 14 13 o 587.2875 66.56245 10.84957       1.617914  10.02565       3.169401  11.13994       1.881536  539.3196 119.2453 635.2555 59.18454 -95.93591      133.1249 
1 1 1 -14 14 14 o 175.3420 57.24024 -0.9380904     1.275713  -4.154225      2.354545  0.3983476      1.517799  157.0061 77.88097 193.6780 83.90672 -36.67186      114.4805 
1 1 1 -14 14 15 o 239.7216 72.25611 0.9933262      1.464856  2.887788       2.576348  0.8830560E-01  1.780701  285.5258 115.3205 193.9173 87.09168 91.60860       144.5122 
1 1 1 -14 14 16 o 226.7412 69.02069 0.7495388      1.347089  2.551081       2.407498  -0.7157209E-01 1.625341  271.5627 110.8143 181.9197 82.31415 89.64302       138.0414 
1 1 1 -14 14 17 f 237.7926 66.87269 1.708007       1.316975  0.1590843      2.073706  2.755030       1.704945  199.7975 91.39919 275.7878 97.64228 -75.99023      133.7454 
1 1 1 -14 15 1  o 670.4868 56.21318 10.99042       1.673362  9.450617       1.922519  15.80286       3.398767  592.6340 65.15233 748.3397 91.62347 -155.7057      112.4264 
1 1 1 -14 15 2  o 807.2401 58.77491 17.61681       2.026476  17.22317       2.331281  18.83384       4.099151  806.7592 57.45314 807.7211 102.5529 -0.9619141     117.5498 
1 1 1 -14 15 3  f 260.6899 62.25047 1.821621       1.063327  2.639342       1.327505  0.3577776      1.776155  304.5746 83.56785 216.8051 92.28704 87.76953       124.5009 
1 1 1 -14 15 4  o 769.0466 49.18607 15.86482       1.880162  17.16289       2.876611  14.89672       2.484236  794.4586 72.31126 743.6346 66.69451 50.82391       98.37213 
1 1 1 -14 15 5  o 240.8884 60.74816 1.449360       0.9483480 1.033255       1.340233  1.866626       1.342103  220.6297 84.98214 261.1471 86.82967 -40.51732      121.4963 
1 1 1 -14 15 6  o 274.9851 65.94832 1.764498       1.019041  1.223350       1.201794  3.149084       1.922348  223.9613 81.63727 326.0088 103.5957 -102.0475      131.8966 
1 1 1 -14 15 7  o 248.3315 70.57820 1.231648       1.361398  1.483256       1.900242  0.9663117      1.951391  256.1827 100.4856 240.4803 99.13508 15.70247       141.1564 
1 1 1 -14 15 8  o 260.3557 74.03838 1.416576       1.554953  -0.7370252     2.891885  2.292445       1.844242  235.5755 107.8278 285.1358 101.4884 -49.56029      148.0768 
1 1 1 -14 15 9  o 682.9773 70.73203 13.37565       2.042808  12.80604       2.352144  15.12411       4.120969  681.1379 69.16911 684.8167 123.4006 -3.678833      141.4641 
1 1 1 -14 15 10 o 620.6899 47.74941 10.94469       1.401698  9.434414       2.235447  11.92321       1.799372  574.6024 78.92931 666.7775 53.76047 -92.17511      95.49882 
1 1 1 -14 15 11 o 274.4300 74.13634 1.972475       1.250747  2.509416       2.710056  1.827152       1.409881  295.7510 118.6874 253.1090 88.87115 42.64206       148.2727 
1 1 1 -14 15 12 o 356.0019 76.37834 3.961258       1.343613  5.026134       2.769859  3.633581       1.536492  369.8432 124.7540 342.1606 88.15348 27.68259       152.7567 
1 1 1 -14 15 13 o 233.9682 69.28304 -0.2843236     1.556956  3.561943       2.438534  -2.931371      2.022972  313.1497 115.9356 154.7867 75.89129 158.3631       138.5661 
1 1 1 -14 15 14 o 311.5105 75.24629 3.682322       1.550195  1.973444       2.669388  4.551902       1.904193  260.8212 112.1307 362.1998 100.3730 -101.3785      150.4926 
1 1 1 -14 15 15 o 376.3397 67.53153 5.758882       1.615555  1.251151       2.791991  8.027892       1.980858  243.5168 109.2322 509.1626 79.43773 -265.6458      135.0631 
1 1 1 -14 15 16 o 200.2977 64.26376 -0.1069537     1.274800  1.789357       2.367871  -0.8809259     1.512746  244.4513 105.3527 156.1442 73.62155 88.30716       128.5275 
1 1 1 -14 16 1  o 189.3993 57.29713 0.2400409      0.9520764 0.5058643      1.160993  -0.3057812     1.663637  188.4001 76.92457 190.3985 84.93794 -1.998367      114.5943 
1 1 1 -14 16 2  f 227.1810 58.85542 0.7777228      1.195953  2.442579       1.333685  -6.056850      2.702221  291.2483 85.10429 163.1137 81.32098 128.1346       117.7108 
1 1 1 -14 16 3  o 401.1836 61.98343 5.031434       1.251419  6.706281       1.650737  2.768141       1.918937  494.4987 67.71594 307.8685 103.8380 186.6302       123.9669 
1 1 1 -14 16 4  o 252.0519 64.80956 1.394892       1.111892  0.4754168      1.463392  2.650673       1.710203  202.9352 84.93368 301.1686 97.91518 -98.23335      129.6191 
1 1 1 -14 16 5  o 210.8316 55.72243 0.9739229      0.8444104 1.543335       1.110056  0.1919290      1.300868  237.7793 78.96295 183.8840 78.64356 53.89536       111.4449 
1 1 1 -14 16 6  o 447.0673 61.06884 5.854556       1.302860  5.571258       2.068204  6.040943       1.677566  430.2799 97.23167 463.8548 73.91628 -33.57486      122.1377 
1 1 1 -14 16 7  o 383.3758 71.33035 4.629481       1.419333  5.266854       1.870382  3.764154       2.179331  421.2553 90.40604 345.4963 110.3577 75.75897       142.6607 
1 1 1 -14 16 8  o 463.6067 85.30770 6.949334       1.928759  7.728665       3.416149  6.584653       2.336858  466.3912 136.1830 460.8221 102.7804 5.569153       170.6154 
1 1 1 -14 16 9  o 443.0339 73.19021 6.369162       1.561453  6.778739       1.916224  5.559776       2.693745  482.7250 81.29736 403.3428 121.7291 79.38217       146.3804 
1 1 1 -14 16 10 o 470.4152 67.72896 6.278784       1.386441  8.204962       2.800388  5.653352       1.595733  497.6133 113.6517 443.2172 73.70312 54.39609       135.4579 
1 1 1 -14 16 11 o 538.8932 63.55657 8.157569       1.700632  0.000000       0.000000  8.157569       1.700632  ?        ?        538.8932 63.55657 ?              ?        
1 1 1 -14 16 12 o 242.9095 72.44879 1.427693       1.327344  1.149777       3.065390  1.491827       1.472554  254.4462 114.2727 231.3728 89.09022 23.07341       144.8976 
1 1 1 -14 16 13 o 203.6147 66.80813 -0.2473326     1.295206  1.224992       2.899390  -0.6143928     1.447683  246.6577 110.9243 160.5717 74.49236 86.08601       133.6163 
1 1 1 -14 16 14 o 306.6305 75.27772 3.532100       1.406387  3.448454       2.473472  3.572061       1.709638  295.3113 114.9726 317.9496 97.20200 -22.63831      150.5554 
1 1 1 -14 16 15 o 271.4881 65.00391 2.393248       1.469207  -2.220177      2.565528  4.644566       1.792188  179.9655 87.63361 363.0107 96.03325 -183.0453      130.0078 
1 1 1 -14 16 16 o 273.8056 67.01348 2.952463       1.412909  -0.2164016     2.555929  4.346951       1.695526  201.7155 95.28674 345.8957 94.25320 -144.1802      134.0270 
1 1 1 -14 17 1  o 221.6743 105.5529 -2.440445      3.259037  -2.440445      3.259037  0.000000       0.000000  221.6743 105.5529 ?        ?        ?              ?        
1 1 1 -14 17 2  o 361.9565 97.07574 4.383819       2.451557  4.634166       3.446906  4.127541       3.487501  369.0883 137.6008 354.8248 136.9702 14.26349       194.1515 
1 1 1 -14 17 3  f 221.7102 61.31461 1.038407       1.017558  1.472940       1.386662  0.5313954      1.497849  238.6496 87.58511 204.7708 85.82993 33.87880       122.6292 
1 1 1 -14 17 4  o 291.7645 61.57710 2.537190       0.9907845 2.896782       1.333671  2.094300       1.480103  313.7392 82.76820 269.7898 91.19421 43.94934       123.1542 
1 1 1 -14 17 5  o 328.3502 61.81045 2.597889       1.125807  0.9504450      1.385249  5.803000       1.932164  214.9329 85.31904 441.7675 89.45830 -226.8345      123.6209 
1 1 1 -14 17 6  o 442.6280 69.88992 6.059491       1.514742  6.168323       2.000823  5.913364       2.318439  454.1799 90.19618 431.0761 106.7851 23.10382       139.7798 
1 1 1 -14 17 7  o 487.7556 59.47421 6.961793       1.412585  7.549089       2.081902  6.460755       1.922946  507.1496 84.02682 468.3617 84.19156 38.78787       118.9484 
1 1 1 -14 17 8  o 250.6880 76.39517 0.9352434      1.569503  1.866940       3.078333  0.6079726      1.824450  283.5142 121.1083 217.8619 93.15406 65.65233       152.7903 
1 1 1 -14 17 9  o 343.4672 83.37115 3.975425       1.824001  5.716365       2.674772  2.462116       2.493782  400.1154 121.4219 286.8189 114.2791 113.2964       166.7423 
1 1 1 -14 17 10 o 220.1623 85.60449 1.228901       1.369874  0.000000       0.000000  1.228901       1.369874  ?        ?        220.1623 85.60449 ?              ?        
1 1 1 -14 17 11 o 343.0688 74.90043 4.318153       1.379766  3.608225       3.046956  4.501283       1.547526  306.4496 124.8139 379.6881 82.83582 -73.23846      149.8009 
1 1 1 -14 17 12 o 332.7935 58.97705 4.571282       1.407413  -2.122933      2.946054  6.550848       1.602049  196.4600 95.26019 469.1269 69.56052 -272.6669      117.9541 
1 1 1 -14 17 13 o 178.6566 58.95355 -0.4037101     1.244468  -2.410374      2.600596  0.1922780      1.417276  179.6046 87.62694 177.7086 78.88982 1.895920       117.9071 
1 1 1 -14 17 14 o 265.0389 73.78749 1.557626       1.476976  5.359940       2.631209  -0.1916204     1.784666  348.0384 121.4525 182.0395 83.83120 165.9989       147.5750 
1 1 1 -14 17 15 o 325.4930 71.72259 4.584593       1.643216  1.207369       2.730516  6.502149       2.057495  228.5414 104.6698 422.4446 98.08540 -193.9033      143.4452 
1 1 1 -14 18 1  o 690.9391 73.79691 14.71733       2.430436  15.77723       3.948031  14.07053       3.084102  695.8171 116.1690 686.0610 91.04232 9.756104       147.5938 
1 1 1 -14 18 2  o 230.4247 63.64994 1.275161       1.048142  1.456974       1.269875  0.8865478      1.856552  232.5992 84.05000 228.2503 95.60784 4.348862       127.2999 
1 1 1 -14 18 3  o 299.1844 92.38228 2.741851       1.539913  2.741851       1.539913  0.000000       0.000000  299.1844 92.38228 ?        ?        ?              ?        
1 1 1 -14 18 4  o 234.7190 75.19849 0.3965131E-01  1.336923  1.966546       3.587147  -0.2711774     1.440724  294.7560 128.3440 174.6821 78.40329 120.0739       150.3970 
1 1 1 -14 18 5  o 432.1002 87.39401 6.310238       1.875243  7.276128       3.580242  5.945076       2.201361  432.5788 141.7219 431.6216 102.3022 0.9572144      174.7880 
1 1 1 -14 18 6  o 287.3206 73.08919 2.483252       1.423777  1.349909       2.059022  3.521680       1.970917  246.4610 101.7413 328.1802 104.9611 -81.71913      146.1784 
1 1 1 -14 18 7  o 256.2007 74.48652 1.651568       1.536715  -0.4852942     3.300860  2.242859       1.736359  240.7952 111.9716 271.6061 98.26156 -30.81091      148.9730 
1 1 1 -14 18 8  o 298.4006 77.41497 0.3117653      1.479405  7.659361       3.313917  -1.517017      1.653294  439.6118 135.4860 157.1895 74.93907 282.4223       154.8299 
1 1 1 -14 18 9  o 331.4220 84.57043 4.074197       1.814018  4.939211       2.734035  3.393921       2.424572  355.7377 123.8218 307.1062 115.2250 48.63153       169.1409 
1 1 1 -14 18 10 o 375.1947 82.57548 4.442059       1.525995  0.000000       0.000000  4.442059       1.525995  ?        ?        375.1947 82.57548 ?              ?        
1 1 1 -14 18 11 o 358.6619 75.59425 5.040779       1.423222  4.517224       3.215272  5.168358       1.587183  313.4661 128.0049 403.8577 80.45315 -90.39157      151.1885 
1 1 1 -14 18 12 o 286.0831 72.07808 3.249458       1.368935  1.787581       3.016578  3.628592       1.536227  248.6069 112.3457 323.5592 90.32964 -74.95232      144.1562 
1 1 1 -14 18 13 o 275.5959 64.90450 2.957742       1.317281  -0.2094510     2.530309  4.135270       1.542844  203.5128 95.73083 347.6790 87.66972 -144.1662      129.8090 
1 1 1 -14 18 14 o 273.6620 75.75175 2.847428       1.525876  4.658434       2.440055  1.684422       1.955378  318.4320 116.2867 228.8921 97.11184 89.53990       151.5035 
1 1 1 -14 18 15 o 308.6220 67.47659 4.363870       1.605494  -0.1245084     2.831648  6.490335       1.949053  200.5837 96.28240 416.6603 94.56248 -216.0766      134.9532 
1 1 1 -14 19 1  f 238.3858 76.34707 0.4979323      1.701504  -0.1577050E-04 3.789093  0.6237047      1.904302  258.4394 120.1065 218.3323 94.28636 40.10703       152.6941 
1 1 1 -14 19 2  o 212.3558 66.15590 0.1550123      1.464391  -5.214134      3.422632  1.358133       1.620176  191.2835 94.70895 233.4282 92.39386 -42.14476      132.3118 
1 1 1 -14 19 3  o 268.5705 83.64785 2.193395       1.259415  2.193395       1.259415  0.000000       0.000000  268.5705 83.64785 ?        ?        ?              ?        
1 1 1 -14 19 4  o 372.3624 65.18053 4.401850       1.231105  3.753105       1.742609  5.048271       1.739486  340.3052 96.63158 404.4197 87.50053 -64.11447      130.3611 
1 1 1 -14 19 5  o 343.6987 104.8262 4.004760       1.989931  4.004760       1.989931  0.000000       0.000000  343.6987 104.8262 ?        ?        ?              ?        
1 1 1 -14 19 6  o 275.2373 78.50078 1.747138       1.424508  1.074687       1.605817  4.230742       3.086078  220.0207 90.22437 330.4540 128.4875 -110.4333      157.0016 
1 1 1 -14 19 7  o 156.4928 72.73993 -0.7217076     1.390691  0.000000       0.000000  -0.7217076     1.390691  ?        ?        156.4928 72.73993 ?              ?        
1 1 1 -14 19 8  f 591.1780 75.11778 10.50165       2.197492  0.000000       0.000000  10.50165       2.197492  ?        ?        591.1780 75.11778 ?              ?        
1 1 1 -14 19 9  o 570.3858 93.12557 10.79799       2.596375  0.000000       0.000000  10.79799       2.596375  ?        ?        570.3858 93.12557 ?              ?        
1 1 1 -14 19 10 o 358.9372 85.33438 5.787601       1.864714  5.388434       3.435339  5.954336       2.220268  323.1106 132.1704 394.7638 107.9760 -71.65320      170.6688 
1 1 1 -14 19 11 o 191.5140 64.61375 -0.4418339     1.262038  1.067038       3.070628  -0.7485257     1.384370  232.7804 108.1618 150.2477 70.71614 82.53267       129.2275 
1 1 1 -14 19 12 o 297.3182 69.42361 3.709938       1.345238  1.949966       2.651963  4.319705       1.560978  241.8050 107.6014 352.8314 87.75244 -111.0264      138.8472 
1 1 1 -14 19 13 o 501.3470 69.95465 8.128285       1.471735  11.93297       3.146271  7.062601       1.665142  529.7938 120.0762 472.9001 71.80751 56.89374       139.9093 
1 1 1 -14 19 14 o 380.2670 79.26274 5.850543       1.655469  10.28596       2.855518  3.605075       2.031753  479.4996 118.3472 281.0343 105.4716 198.4653       158.5255 
1 1 1 -14 20 1  o 417.5908 95.56260 5.734562       1.976623  0.000000       0.000000  5.734562       1.976623  ?        ?        417.5908 95.56260 ?              ?        
1 1 1 -14 20 2  o 198.1631 59.38569 0.4295765      1.156695  -4.653801      2.795095  1.480029       1.270599  169.5385 84.22591 226.7878 83.74149 -57.24925      118.7714 
1 1 1 -14 20 3  o 329.1573 94.54011 4.527184       2.543112  2.868159       3.624263  6.136337       3.569371  290.9890 127.7895 367.3255 139.3599 -76.33646      189.0802 
1 1 1 -14 20 4  o 350.8586 63.67255 4.033119       1.137254  3.809226       1.685922  4.220061       1.540534  336.9974 94.82214 364.7199 85.00314 -27.72256      127.3451 
1 1 1 -14 20 5  o 295.8307 66.96935 3.026355       1.167016  2.327248       1.824592  3.510357       1.518160  265.0463 99.85631 326.6152 89.26527 -61.56894      133.9387 
1 1 1 -14 20 6  o 219.5066 62.85834 1.186348       1.169603  -0.3244088     1.991908  1.981306       1.444921  190.8337 88.12393 248.1796 89.65967 -57.34593      125.7167 
1 1 1 -14 20 7  o 235.3295 63.36222 1.706249       1.212324  -0.9547029     2.348944  2.672422       1.415408  190.3412 90.33616 280.3178 88.87330 -89.97667      126.7244 
1 1 1 -14 20 8  o 324.2461 128.2094 5.214742       3.116755  0.000000       0.000000  5.214742       3.116755  ?        ?        324.2461 128.2094 ?              ?        
1 1 1 -14 20 9  o 271.0082 85.45735 2.531902       2.471948  -0.4991538     3.294875  6.434689       3.738775  213.9692 102.9971 328.0472 136.3944 -114.0780      170.9147 
1 1 1 -14 20 10 o 278.7456 65.78767 3.332504       1.431293  -1.470538      3.222738  4.512664       1.597487  199.2638 97.29085 358.2274 88.58081 -158.9635      131.5753 
1 1 1 -14 20 11 o 312.8707 84.13036 3.858095       1.462990  7.624905       4.006108  3.278434       1.571531  331.6742 139.7631 294.0671 93.69068 37.60709       168.2607 
1 1 1 -14 20 12 o 192.8173 65.38735 -0.6911966     1.315889  2.726244       3.049322  -1.473234      1.458702  247.8439 112.3896 137.7907 66.86250 110.0532       130.7747 
1 1 1 -14 20 13 o 213.7455 67.86018 0.5746946      1.239169  4.246827       2.708736  -0.3972088     1.393539  274.8833 115.3302 152.6077 71.54696 122.2756       135.7204 
1 1 1 -14 21 1  o 288.2685 63.20231 2.896571       1.175103  4.364022       1.575958  1.059064       1.763507  362.0241 87.05406 214.5128 91.64997 147.5113       126.4046 
1 1 1 -14 21 2  o 317.2999 94.52985 3.552299       1.632218  0.000000       0.000000  3.552299       1.632218  ?        ?        317.2999 94.52985 ?              ?        
1 1 1 -14 21 3  o 233.0064 73.32540 1.236687       1.463015  1.134403       1.617706  1.696084       3.428391  213.1202 89.25686 252.8926 116.3601 -39.77245      146.6508 
1 1 1 -14 21 4  o 218.0630 64.10734 1.285617       1.190814  0.2005887      2.174137  1.750618       1.423290  203.0779 93.15160 233.0481 88.10099 -29.97017      128.2147 
1 1 1 -14 21 5  o 169.6894 55.05026 -0.8093622     1.030784  1.200294       1.769958  -1.840787      1.268005  215.7923 91.99734 123.5866 60.48649 92.20573       110.1005 
1 1 1 -14 21 6  o 415.0507 68.85240 6.521091       1.345310  5.791591       2.541273  6.805134       1.585736  358.6790 119.4922 471.4223 68.44133 -112.7433      137.7048 
1 1 1 -14 21 7  o 224.5095 84.89034 1.683139       1.321613  0.000000       0.000000  1.683139       1.321613  ?        ?        224.5095 84.89034 ?              ?        
1 1 1 -14 21 8  o 222.9152 74.48093 -0.9396136     1.527736  6.218440       3.742838  -2.370615      1.673492  309.1190 132.8318 136.7114 67.41917 172.4076       148.9619 
1 1 1 -14 21 9  o 224.4178 74.43039 1.221335       1.791974  2.219453       4.253389  1.005938       1.975892  242.5849 116.8329 206.2506 92.24745 36.33423       148.8608 
1 1 1 -14 21 10 o 269.8452 79.86221 2.993808       1.478865  5.735094       4.137074  2.592202       1.583493  283.1661 129.3687 256.5242 93.67827 26.64194       159.7244 
1 1 1 -14 21 11 o 208.7878 70.43211 0.6236454      2.064962  0.6607220      3.092108  0.5937993      2.774273  211.1587 101.1606 206.4168 98.02680 4.741928       140.8642 
1 1 1 -14 21 12 o 212.9825 71.42044 1.003559       2.036830  3.451849       3.128740  -0.7972464     2.683314  243.7328 111.7800 182.2322 88.93113 61.50058       142.8409 
1 1 1 -14 22 1  o 170.1075 53.81268 0.2041066      0.9658619 0.6074401      1.281964  -0.3254398     1.468912  179.2471 77.38406 160.9679 74.79925 18.27927       107.6254 
1 1 1 -14 22 2  o 447.7226 82.47183 6.757537       1.800504  0.000000       0.000000  6.757537       1.800504  ?        ?        447.7226 82.47183 ?              ?        
1 1 1 -14 22 3  o 339.2552 86.33693 5.458738       1.753597  4.923141       1.974520  7.458458       3.815284  347.1892 104.0926 331.3214 137.7715 15.86783       172.6739 
1 1 1 -14 22 4  o 144.4116 49.15745 -0.8414868     0.8800441 -0.6987469     1.808363  -0.8857826     1.007382  166.7851 79.18743 122.0381 58.26810 44.74696       98.31490 
1 1 1 -14 22 5  o 336.8322 67.88810 4.858047       1.357005  3.001586       2.223577  5.959816       1.712989  259.3986 106.2477 414.2657 84.53761 -154.8671      135.7762 
1 1 1 -14 22 6  o 277.6915 71.58384 3.403485       1.688473  -0.4435171     2.802958  5.594531       2.115345  195.4962 94.32216 359.8869 107.7048 -164.3907      143.1677 
1 1 1 -14 22 7  o 420.4900 66.34964 9.909676       1.687740  2.858920       4.839079  10.88613       1.800819  241.7199 118.2740 599.2600 60.16942 -357.5401      132.6993 
1 1 1 -14 22 8  o 302.5784 81.57928 5.210728       1.872058  4.609577       4.085117  5.370532       2.106236  259.8832 122.0510 345.2736 108.2786 -85.39038      163.1586 
1 1 1 -14 22 9  o 297.8486 86.91801 4.929158       1.904526  8.234148       4.096630  4.017885       2.151125  310.1419 136.0395 285.5552 108.2230 24.58673       173.8360 
1 1 1 -14 22 10 f 192.8312 63.23377 0.6950056      1.485777  -4.684894      4.235215  1.450039       1.586615  180.8812 91.60017 204.7813 87.19775 -23.90007      126.4675 
1 1 1 -14 22 11 o 165.5598 56.63675 -0.3139207     1.257271  -1.966435      3.075823  0.1757594E-01  1.377616  174.1274 86.80370 156.9923 72.77364 17.13503       113.2735 
1 1 1 -14 23 1  o 310.7988 66.38255 3.889688       1.140463  3.206887       1.537190  4.725695       1.700926  278.7493 92.93808 342.8483 94.81079 -64.09903      132.7651 
1 1 1 -14 23 2  o 200.6343 66.67432 0.7989192      1.151831  2.206574       3.914846  0.6655157      1.205175  227.7510 110.2783 173.5176 74.97034 54.23338       133.3486 
1 1 1 -14 23 3  o 231.7817 62.50013 2.062822       0.9852676 2.298843       1.725989  1.948735       1.199995  234.4189 94.49104 229.1444 81.83218 5.274551       125.0003 
1 1 1 -14 23 4  o 206.0119 60.72137 1.293013       1.006277  2.318258       1.721364  0.7607610      1.240273  234.5902 94.43314 177.4336 76.35918 57.15656       121.4427 
1 1 1 -14 23 5  o 185.2246 64.25154 -0.3165981     1.155130  2.898968       3.518252  -0.7051079     1.222923  234.0677 110.9336 136.3814 64.85976 97.68629       128.5031 
1 1 1 -14 23 6  o 255.2786 78.67495 2.682230       1.376230  7.736700       4.626965  2.191669       1.441469  277.1022 130.0595 233.4550 88.56364 43.64723       157.3499 
1 1 1 -14 23 7  o 228.2779 76.15144 1.382831       1.369320  7.883731       4.635878  0.7614388      1.433270  275.9175 129.7214 180.6384 79.80299 95.27908       152.3029 
1 1 1 -14 23 8  o 213.7185 71.40586 1.610260       1.751401  3.091753       4.038304  1.267045       1.943715  227.9092 110.7433 199.5278 90.17262 28.38138       142.8117 
1 1 1 -14 23 9  o 191.0798 64.96790 0.6645818      1.712033  -0.8996205     4.102275  0.9944780      1.883940  192.6052 96.63548 189.5545 86.86137 3.050751       129.9358 
1 1 1 -14 23 10 o 164.7371 56.86900 -0.1990031     1.243669  -0.5675823     3.161034  -0.1315008     1.352768  180.2031 89.53185 149.2711 70.14542 30.93199       113.7380 
1 1 1 -14 24 1  o 188.9871 63.70020 0.6867598      1.272417  0.5548474      1.358058  1.634804       3.640743  169.2577 76.03413 208.7164 102.2236 -39.45865      127.4004 
1 1 1 -14 24 2  o 239.6704 75.00107 2.089402       1.244767  7.309814       3.656478  1.405098       1.323839  282.3919 125.9537 196.9488 81.46351 85.44308       150.0021 
1 1 1 -14 24 3  o 180.0862 56.18528 0.6591740      0.9173902 1.835231       1.683176  0.1621682      1.094198  210.8482 89.79729 149.3242 67.55434 61.52403       112.3706 
1 1 1 -14 24 4  o 208.4268 67.14207 1.656188       1.601678  0.4277703      2.273626  2.866380       2.256697  184.7584 88.02665 232.0953 101.4078 -47.33682      134.2841 
1 1 1 -14 24 5  o 169.9912 58.03997 0.1731154E-01  1.239778  -2.024972      3.589234  0.2939917      1.321091  179.2858 90.01282 160.6966 73.29560 18.58923       116.0799 
1 1 1 -14 24 6  o 232.0618 70.43742 2.697249       1.355362  3.753285       4.454817  2.589525       1.422812  221.5429 109.3906 242.5808 88.76608 -21.03793      140.8748 
1 1 1 -14 24 7  o 176.8473 60.53575 0.4088656      1.282122  -1.505360      4.654433  0.5660429      1.333721  187.6131 95.11533 166.0815 74.90916 21.53162       121.0715 
1 1 1 -14 24 8  o 266.2397 84.35320 4.470888       1.874290  13.04481       4.232940  2.379930       2.090378  321.3848 139.6779 211.0945 94.61457 110.2903       168.7064 
1 1 1 -14 25 1  o 181.1861 55.72518 1.069158       0.9930024 0.2226330      1.405259  1.913419       1.403378  156.0782 72.73780 206.2939 84.44166 -50.21573      111.4504 
1 1 1 -14 25 2  o 158.5698 51.19088 0.4026681      0.9321755 -0.1658577     1.438753  0.8139894      1.223775  149.0291 70.72075 168.1106 74.03107 -19.08151      102.3818 
1 1 1 -14 25 3  o 195.8966 55.91416 1.571636       0.9625942 0.2517270      1.643973  2.260245       1.187433  162.3732 76.61612 229.4200 81.45884 -67.04681      111.8283 
1 1 1 -14 25 4  o 260.1671 104.2008 2.881421       1.912731  -4.699142      4.813605  4.302773       2.084350  ?        ?        260.1671 104.2008 ?              ?        
1 1 1 -14 25 5  o 173.6746 59.91408 0.4536002      1.190296  2.434921       3.594702  0.2096083      1.261459  197.1866 97.52982 150.1626 69.61841 47.02403       119.8282 
1 1 1 -14 25 6  o 202.4734 63.37637 2.271321       1.322323  1.147199       3.820845  2.424279       1.409419  184.4103 92.62305 220.5365 86.52876 -36.12614      126.7527 
1 1 1 -14 26 1  o 175.2805 59.57161 1.166760       1.119883  4.281069       3.916133  0.8894001      1.168688  190.6293 95.46877 159.9316 71.27988 30.69774       119.1432 
1 1 1 -14 26 2  o 125.6501 42.81532 -0.5793943     0.7535449 0.3997548      1.253314  -1.133740      0.9430308 147.8684 68.83856 103.4318 50.92992 44.43666       85.63063 
1 1 1 -14 26 3  o 144.9435 53.46018 -0.6921446     0.8842580 4.110857       4.727881  -0.8662457     0.9001418 184.3407 93.69591 105.5463 51.50768 78.79446       106.9204 
1 1 1 -13 0  1  o 2495.958 49.15539 158.7467       8.768888  158.7467       8.768888  158.7467       8.768888  2495.958 69.51622 2495.958 69.51622 0.000000       0.000000 
1 1 1 -13 0  2  o 2622.349 50.06121 175.2447       9.383704  175.2447       9.383704  175.2447       9.383704  2622.349 70.79724 2622.349 70.79724 0.000000       0.000000 
1 1 1 -13 0  3  o 312.9976 73.50311 3.200820       1.466025  3.200820       1.466025  3.200820       1.466025  312.9976 103.9491 312.9976 103.9491 0.000000       0.000000 
1 1 1 -13 0  4  o 644.2185 46.60460 10.87669       2.098055  10.87669       2.098055  10.87669       2.098055  644.2185 65.90886 644.2185 65.90886 0.000000       0.000000 
1 1 1 -13 0  5  o 1154.542 36.99052 34.05470       3.043434  34.05470       3.043434  34.05470       3.043434  1154.542 52.31250 1154.542 52.31250 0.000000       0.000000 
1 1 1 -13 0  6  o 1794.345 58.61028 82.74738       7.493115  82.74738       7.493115  82.74738       7.493115  1794.345 82.88745 1794.345 82.88745 0.000000       0.000000 
1 1 1 -13 0  7  o 190.7131 78.99767 1.117086       1.809359  1.117086       1.809359  1.117086       1.809359  190.7131 111.7196 190.7131 111.7196 0.000000       0.000000 
1 1 1 -13 0  8  o 964.6422 51.71151 24.16904       3.524313  24.16904       3.524313  24.16904       3.524313  964.6422 73.13111 964.6422 73.13111 0.000000       0.000000 
1 1 1 -13 0  9  o 138.6965 61.52262 0.2744788      1.269809  0.2744788      1.269809  0.2744788      1.269809  138.6965 87.00612 138.6965 87.00612 0.000000       0.000000 
1 1 1 -13 0  10 o 115.8079 54.15572 -0.2597144     1.170241  -0.2597144     1.170241  -0.2597144     1.170241  115.8079 76.58776 115.8079 76.58776 0.000000       0.000000 
1 1 1 -13 0  11 o 1543.782 38.89714 61.07571       4.286965  61.07571       4.286965  61.07571       4.286965  1543.782 55.00887 1543.782 55.00887 0.000000       0.000000 
1 1 1 -13 0  12 o 405.1211 58.13377 4.714493       1.492697  4.714493       1.492697  4.714493       1.492697  405.1211 82.21357 405.1211 82.21357 0.000000       0.000000 
1 1 1 -13 0  13 o 463.8323 59.02498 6.098187       1.771452  6.098187       1.771452  6.098187       1.771452  463.8323 83.47393 463.8323 83.47393 0.000000       0.000000 
1 1 1 -13 0  14 o 1081.780 55.38759 31.17422       4.238244  31.17422       4.238244  31.17422       4.238244  1081.780 78.32988 1081.780 78.32988 0.000000       0.000000 
1 1 1 -13 0  15 o 136.0640 67.19354 -1.954932      2.400278  -1.954932      2.400278  -1.954932      2.400278  136.0640 95.02602 136.0640 95.02602 0.000000       0.000000 
1 1 1 -13 0  16 o 187.6540 76.58668 1.348012       1.661474  1.348012       1.661474  1.348012       1.661474  187.6540 108.3099 187.6540 108.3099 0.000000       0.000000 
1 1 1 -13 0  17 o 193.7948 79.11781 1.530207       1.773976  1.530207       1.773976  1.530207       1.773976  193.7948 111.8895 193.7948 111.8895 0.000000       0.000000 
1 1 1 -13 0  18 o 105.2194 53.26665 -2.424909      1.858207  -2.424909      1.858207  -2.424909      1.858207  105.2194 75.33042 105.2194 75.33042 0.000000       0.000000 
1 1 1 -13 0  19 o 167.2067 74.67274 0.9725585      1.906518  0.9725585      1.906518  0.9725585      1.906518  167.2067 105.6032 167.2067 105.6032 0.000000       0.000000 
1 1 1 -13 0  20 o 175.3127 83.47057 0.6918032      3.006021  0.6918032      3.006021  0.6918032      3.006021  175.3127 118.0452 175.3127 118.0452 0.000000       0.000000 
1 1 1 -13 0  21 o 685.6093 134.2364 23.83407       5.699336  23.83407       5.699336  23.83407       5.699336  685.6093 189.8389 685.6093 189.8389 0.000000       0.000000 
1 1 1 -13 1  1  o 1671.254 50.04746 70.82967       4.007998  69.82058       4.913593  72.83601       6.928492  1655.855 58.61290 1686.654 81.13891 -30.79858      100.0949 
1 1 1 -13 1  2  o 1160.340 48.38362 34.78823       2.636181  33.46520       4.616894  35.42823       3.211096  1140.618 80.46748 1180.062 53.74833 -39.44348      96.76723 
1 1 1 -13 1  3  o 236.0448 67.74056 0.6775612      1.204136  -0.1024552     2.242496  0.9935789      1.427367  239.6126 102.8867 232.4769 88.14455 7.135620       135.4811 
1 1 1 -13 1  4  o 1089.669 38.99744 30.30202       2.143086  32.49120       3.039717  28.13840       3.021923  1129.852 53.14079 1049.487 57.08992 80.36499       77.99489 
1 1 1 -13 1  5  o 2299.267 46.00869 135.0173       5.355423  133.2486       7.548614  136.8096       7.599064  2284.040 65.27996 2314.494 64.85156 -30.45410      92.01738 
1 1 1 -13 1  6  o 496.6810 71.47136 6.599761       1.735330  6.110481       2.402442  7.133534       2.509300  476.7316 102.5809 516.6304 99.54782 -39.89883      142.9427 
1 1 1 -13 1  7  f 571.5679 67.42925 8.997355       1.823703  6.765284       2.733501  10.78785       2.448226  499.6411 110.9524 643.4948 76.65757 -143.8536      134.8585 
1 1 1 -13 1  8  o 1345.389 52.41442 46.67026       3.554402  44.60401       4.972180  48.82965       5.083020  1314.558 75.02184 1376.220 73.21755 -61.66235      104.8288 
1 1 1 -13 1  9  o 1158.961 36.69531 34.29583       2.153043  34.62434       3.053691  33.97109       3.036111  1164.498 51.79677 1153.423 51.99306 11.07520       73.39062 
1 1 1 -13 1  10 o 806.8941 37.96375 16.72954       1.541748  16.38288       2.180356  17.07620       2.180367  798.3691 54.26574 815.4191 53.10569 -17.04993      75.92750 
1 1 1 -13 1  11 o 497.6902 46.14362 6.490090       1.132043  6.507768       1.656889  6.474613       1.550320  497.7517 67.49066 497.6287 62.94398 0.1229858      92.28723 
1 1 1 -13 1  12 o 883.1580 38.54082 20.17074       1.712511  21.10470       2.406000  19.21173       2.438031  904.5284 52.76904 861.7875 56.18726 42.74097       77.08164 
1 1 1 -13 1  13 o 409.8752 58.05991 4.588052       1.162160  4.423761       1.609723  4.766913       1.679586  402.1249 81.85223 417.6254 82.36517 -15.50052      116.1198 
1 1 1 -13 1  14 o 338.0722 69.98566 2.956752       1.539693  5.527668       2.091069  -0.8771566E-01 2.275517  442.9833 96.01030 233.1611 101.8528 209.8222       139.9713 
1 1 1 -13 1  15 o 608.2467 76.51280 11.04320       2.199483  8.521227       3.359296  12.93561       2.909949  530.4077 126.8160 686.0857 85.64191 -155.6780      153.0256 
1 1 1 -13 1  16 o 281.8480 61.29799 1.797762       1.220820  -0.9274186     1.812000  4.063091       1.652062  186.2531 85.28906 377.4430 88.06561 -191.1899      122.5960 
1 1 1 -13 1  17 o 504.4558 60.69925 7.208874       1.491254  8.024924       2.172601  6.481908       2.050586  533.5383 83.14159 475.3733 88.45942 58.16498       121.3985 
1 1 1 -13 1  18 o 398.4517 67.58301 4.876085       1.334569  4.436764       2.101847  5.172846       1.727480  375.6648 105.9351 421.2386 83.95000 -45.57382      135.1660 
1 1 1 -13 1  19 o 248.9294 71.35001 1.423907       1.385198  1.363387       2.180452  1.464859       1.793643  252.3073 104.4702 245.5515 97.20734 6.755783       142.7000 
1 1 1 -13 1  20 o 212.8564 70.64701 -1.375550      1.842112  -2.268286      2.320985  0.1440097      3.028096  180.6835 86.84579 245.0294 111.4532 -64.34595      141.2940 
1 1 1 -13 1  21 o 472.9672 113.1194 11.43145       3.498400  7.795911       5.051297  14.78277       4.849823  380.8882 158.4657 565.0463 161.4703 -184.1581      226.2389 
1 1 1 -13 2  1  o 1514.070 40.01234 58.38692       3.065658  59.63608       4.303131  57.09945       4.368601  1530.682 55.52851 1497.459 57.62407 33.22290       80.02467 
1 1 1 -13 2  2  o 454.5326 57.56020 5.518429       1.261370  4.146068       1.782453  6.895091       1.785242  394.0726 91.15566 514.9926 70.30898 -120.9200      115.1204 
1 1 1 -13 2  3  o 1099.614 46.53210 30.53933       2.430276  29.80080       2.958634  32.07130       4.261203  1082.085 54.00654 1117.144 75.79077 -35.05945      93.06421 
1 1 1 -13 2  4  o 3069.501 70.78976 248.4856       10.24326  258.6964       12.55690  228.1759       17.70942  3177.581 78.05527 2961.422 118.1191 216.1589       141.5795 
1 1 1 -13 2  5  o 1616.974 56.63345 67.09114       4.635525  68.33722       6.621455  65.89342       6.491714  1631.677 80.15594 1602.271 80.02760 29.40552       113.2669 
1 1 1 -13 2  6  o 727.9204 58.22092 13.99057       2.067054  11.52085       2.981694  16.27575       2.868124  662.1245 91.38422 793.7163 72.16389 -131.5919      116.4418 
1 1 1 -13 2  7  o 1454.152 53.27151 53.93790       3.921828  0.000000       0.000000  53.93790       3.921828  ?        ?        1454.152 53.27151 ?              ?        
1 1 1 -13 2  8  o 808.6282 51.49770 16.97573       2.078078  17.39560       2.846720  16.49673       3.040537  820.3380 69.18958 796.9185 76.29451 23.41943       102.9954 
1 1 1 -13 2  9  o 820.7477 45.05594 17.61559       1.769605  18.22338       2.218127  16.55145       2.935000  843.1237 52.22208 798.3716 73.43710 44.75214       90.11189 
1 1 1 -13 2  10 o 947.5924 36.42503 23.00241       1.740069  23.89299       2.502718  22.16906       2.420976  965.4106 51.39050 929.7741 51.63474 35.63654       72.85005 
1 1 1 -13 2  11 o 267.8273 59.33434 1.873145       0.9534320 0.7839445      1.505811  2.602013       1.231802  225.2830 89.10386 310.3716 78.37576 -85.08865      118.6687 
1 1 1 -13 2  12 o 797.1791 39.10597 16.44688       1.568135  16.86114       2.220806  16.03495       2.214564  807.4385 54.64901 786.9197 55.95172 20.51880       78.21194 
1 1 1 -13 2  13 o 285.2198 59.51656 1.874119       1.021888  0.4731069      1.353098  3.734000       1.559017  202.7164 82.93907 367.7232 85.38146 -165.0068      119.0331 
1 1 1 -13 2  14 o 843.1877 58.63369 19.31320       2.452242  20.91426       3.395103  17.56687       3.545792  884.0374 76.61507 802.3381 88.77933 81.69922       117.2674 
1 1 1 -13 2  15 o 255.8594 76.17072 0.5752242      1.546768  1.564314       2.854674  0.1641552      1.840331  295.1386 120.5778 216.5802 93.10703 78.55841       152.3414 
1 1 1 -13 2  16 o 193.3646 60.14518 -0.2012797     1.133914  0.1209898      1.704217  -0.4572805     1.518924  206.8613 89.26434 179.8680 80.63280 26.99323       120.2904 
1 1 1 -13 2  17 o 264.7340 61.12614 1.445976       1.169260  -0.8644606     1.681770  3.607758       1.626767  178.2933 81.83621 351.1747 90.82101 -172.8814      122.2523 
1 1 1 -13 2  18 o 314.8897 75.22649 3.064960       1.482454  1.970700       2.281348  3.864736       1.950361  277.7561 109.7329 352.0233 102.9310 -74.26724      150.4530 
1 1 1 -13 2  19 o 383.9665 75.04036 4.946431       1.532546  3.914876       2.474514  5.588317       1.951967  340.9179 117.8475 427.0152 92.93115 -86.09729      150.0807 
1 1 1 -13 2  20 o 246.7921 76.45698 0.6825145      1.915938  1.943813       2.380553  -1.636872      3.228164  270.1443 110.2090 223.4400 106.0030 46.70430       152.9140 
1 1 1 -13 2  21 o 227.4790 77.27364 -2.092239      2.695191  -6.354151      4.566939  0.1853319      3.338558  210.8229 105.2049 244.1352 113.2113 -33.31230      154.5473 
1 1 1 -13 3  1  o 1066.593 40.19961 29.08210       2.160635  30.70580       3.018040  27.37499       3.094596  1098.340 54.27558 1034.845 59.31439 63.49512       80.39922 
1 1 1 -13 3  2  o 1250.080 38.42445 39.78699       2.431217  40.37063       3.418136  39.18940       3.458745  1259.453 53.60726 1240.707 55.06374 18.74658       76.84890 
1 1 1 -13 3  3  o 841.0958 40.77360 18.20626       1.715206  16.82932       2.499231  19.43222       2.358239  810.1127 61.39272 872.0790 53.67382 -61.96637      81.54720 
1 1 1 -13 3  4  o 646.9548 53.49973 10.37504       1.639393  9.362894       1.996007  12.47329       2.873886  601.8112 66.62963 692.0985 83.72202 -90.28735      106.9995 
1 1 1 -13 3  5  o 690.0191 47.26242 11.55853       1.572437  9.679184       1.935658  15.20533       2.696380  612.3872 63.34955 767.6510 70.15539 -155.2638      94.52483 
1 1 1 -13 3  6  o 1133.530 46.73445 33.62411       2.485656  34.90219       3.043507  31.06396       4.307516  1170.333 51.36665 1096.728 78.08906 73.60474       93.46889 
1 1 1 -13 3  7  o 1073.620 74.20193 29.76123       4.008449  0.000000       0.000000  29.76123       4.008449  ?        ?        1073.620 74.20193 ?              ?        
1 1 1 -13 3  8  o 1041.176 45.17635 27.81656       2.206323  27.95098       3.912638  27.75390       2.671593  1039.349 74.85876 1043.004 50.59423 -3.654785      90.35269 
1 1 1 -13 3  9  o 354.2228 59.43191 2.756612       1.029904  1.577200       1.226959  5.569576       1.894871  251.8240 82.98763 456.6217 85.09795 -204.7978      118.8638 
1 1 1 -13 3  10 o 854.2023 37.61638 18.74280       1.618387  18.82210       2.311546  18.66656       2.266606  855.8830 53.61692 852.5216 52.77494 3.361389       75.23277 
1 1 1 -13 3  11 o 843.3800 37.61113 18.21525       1.593131  19.79962       2.361679  16.89223       2.158113  876.9029 53.45203 809.8572 52.92700 67.04572       75.22225 
1 1 1 -13 3  12 f 1073.522 36.87746 29.64594       2.003893  29.46339       2.803466  29.83663       2.865415  1070.280 51.73854 1076.764 52.56340 -6.483765      73.75491 
1 1 1 -13 3  13 o 790.1197 40.71932 16.23870       1.608855  14.13884       2.222822  18.54912       2.331603  735.2502 60.24430 844.9892 54.79851 -109.7390      81.43864 
1 1 1 -13 3  14 o 438.8531 74.94703 5.571238       1.651179  4.961601       2.382087  6.135056       2.290825  413.1244 111.3626 464.5818 100.3325 -51.45743      149.8941 
1 1 1 -13 3  15 o 884.4512 53.65602 20.83042       2.039842  21.61834       4.112026  20.57324       2.349280  881.4037 93.58194 887.4987 52.51949 -6.094971      107.3120 
1 1 1 -13 3  16 o 326.5267 65.49033 3.066686       1.134766  2.825325       1.596877  3.312898       1.612846  314.0376 93.48790 339.0158 91.73845 -24.97821      130.9807 
1 1 1 -13 3  17 o 469.1270 65.31619 5.988234       1.459246  8.555145       2.445069  4.568118       1.818644  543.9805 92.06647 394.2735 92.67461 149.7069       130.6324 
1 1 1 -13 3  18 o 287.5081 75.60133 2.321309       1.440495  2.691927       2.313559  2.086669       1.840853  301.7544 112.6857 273.2617 100.8176 28.49268       151.2027 
1 1 1 -13 3  19 o 516.1526 68.04764 7.673034       1.642917  10.25253       2.864984  6.409181       2.005409  571.4542 102.8080 460.8510 89.17645 110.6032       136.0953 
1 1 1 -13 3  20 o 411.8980 85.05560 6.252200       2.179774  2.668782       3.216663  9.295053       2.964130  298.9823 125.5722 524.8137 114.7581 -225.8315      170.1112 
1 1 1 -13 4  1  o 427.1874 62.99569 4.898500       1.320498  3.850910       1.869625  5.941265       1.865314  379.2980 96.98371 475.0768 80.42380 -95.77881      125.9914 
1 1 1 -13 4  2  o 1100.830 45.58374 30.47901       2.400604  29.32567       2.937240  32.79935       4.166168  1071.781 54.30884 1129.879 73.22608 -58.09790      91.16748 
1 1 1 -13 4  3  o 916.4672 48.15934 22.08154       2.090280  23.23269       2.602745  19.99020       3.508146  953.5784 54.13594 879.3559 79.66547 74.22247       96.31868 
1 1 1 -13 4  4  o 1105.639 46.96864 32.01635       2.452252  33.46709       3.027072  29.24647       4.182716  1146.358 52.15776 1064.920 78.12668 81.43799       93.93727 
1 1 1 -13 4  5  o 1548.035 47.76801 62.03598       3.517623  63.35482       4.331568  59.48168       6.028156  1576.422 54.27365 1519.648 78.62253 56.77405       95.53602 
1 1 1 -13 4  6  o 1156.471 53.48495 34.26935       3.096860  32.37564       4.125969  36.71271       4.686657  1120.701 73.12047 1192.240 78.07662 -71.53931      106.9699 
1 1 1 -13 4  7  o 628.6844 57.92461 10.18618       1.822918  0.000000       0.000000  10.18618       1.822918  ?        ?        628.6844 57.92461 ?              ?        
1 1 1 -13 4  8  o 607.0710 59.99060 9.541038       1.715935  13.85969       2.618327  6.289866       2.271797  730.6563 71.70666 483.4857 96.19586 247.1705       119.9812 
1 1 1 -13 4  9  o 934.7184 44.72714 22.33490       1.994681  21.92870       2.449676  23.13413       3.436169  924.7889 52.53856 944.6480 72.40006 -19.85913      89.45428 
1 1 1 -13 4  10 o 972.4078 45.41430 23.73673       2.062877  26.34306       3.762741  22.61672       2.466604  1006.203 74.39177 938.6127 52.11235 67.59021       90.82859 
1 1 1 -13 4  11 o 1242.437 46.07541 39.57201       2.693442  41.11615       4.797731  38.86137       3.254737  1254.280 75.91161 1230.593 52.24174 23.68640       92.15082 
1 1 1 -13 4  12 f 1059.829 37.98808 29.01361       2.032486  28.17665       2.908227  29.81271       2.841667  1043.640 55.23861 1076.018 52.16389 -32.37805      75.97615 
1 1 1 -13 4  13 o 822.6508 41.84735 17.69043       1.726737  16.20906       2.426366  19.21055       2.457890  786.5968 61.41542 858.7047 56.85905 -72.10785      83.69471 
1 1 1 -13 4  14 o 557.4031 67.92589 8.677469       1.837357  10.27197       2.680190  7.263734       2.523695  609.9924 89.44459 504.8138 102.2515 105.1786       135.8518 
1 1 1 -13 4  15 o 188.7829 62.45682 -1.238777      1.362530  -3.953639      2.885978  -0.4600670     1.545635  195.4812 94.66102 182.0846 81.50282 13.39655       124.9136 
1 1 1 -13 4  16 o 305.0362 65.51054 2.694602       1.152644  1.643525       1.763026  3.479270       1.523295  261.5989 98.23527 348.4734 86.69692 -86.87454      131.0211 
1 1 1 -13 4  17 o 339.8207 71.31857 3.015598       1.320563  5.358988       2.256729  1.795328       1.628490  418.2752 106.3365 261.3662 95.06783 156.9090       142.6371 
1 1 1 -13 4  18 o 357.1008 77.00404 4.129901       1.484154  3.809049       2.641703  4.277884       1.794056  340.5733 121.4384 373.6283 94.71641 -33.05493      154.0081 
1 1 1 -13 4  19 o 381.8033 77.43804 4.813121       1.559679  5.020794       2.429240  4.667476       2.034360  383.5800 115.5609 380.0265 103.1130 3.553528       154.8761 
1 1 1 -13 4  20 o 358.7489 77.84171 3.916575       1.975937  8.202637       2.804293  -0.3095183     2.784606  489.6196 115.0755 227.8782 104.8568 261.7414       155.6834 
1 1 1 -13 5  1  o 2117.693 53.88219 115.5976       5.450273  116.9182       6.704499  113.0245       9.358865  2140.163 61.87795 2095.223 88.22856 44.93945       107.7644 
1 1 1 -13 5  2  o 1518.373 47.22693 58.29476       3.454727  56.90167       4.250892  61.00493       5.929094  1494.102 56.19740 1542.645 75.91695 -48.54321      94.45386 
1 1 1 -13 5  3  o 1026.841 48.58953 28.21618       2.367860  31.41853       3.010162  23.01839       3.834996  1110.459 53.54313 943.2231 81.09811 167.2358       97.17905 
1 1 1 -13 5  4  o 673.2691 49.32703 11.60719       1.601326  11.26626       2.009955  12.19960       2.649540  661.4981 60.69384 685.0401 77.77455 -23.54199      98.65406 
1 1 1 -13 5  5  o 1474.609 38.92884 55.48882       2.904974  55.88181       4.057215  55.07541       4.161268  1480.157 54.14228 1469.061 55.95027 11.09607       77.85769 
1 1 1 -13 5  6  o 1952.435 52.13370 99.02007       4.872696  94.67653       8.276853  101.3240       6.028015  1914.254 85.40475 1990.617 59.81402 -76.36316      104.2674 
1 1 1 -13 5  7  o 1844.362 41.62187 87.04677       3.885046  84.32816       5.491193  89.77151       5.497383  1815.225 59.75202 1873.499 57.95874 -58.27368      83.24374 
1 1 1 -13 5  8  o 819.6478 47.42401 17.40188       1.780071  17.29043       3.248931  17.44969       2.127879  814.1843 79.84709 825.1113 51.19170 -10.92694      94.84802 
1 1 1 -13 5  9  o 1562.732 49.01808 63.62942       3.631224  64.88950       4.456975  61.14169       6.262429  1591.988 55.29894 1533.475 80.95131 58.51245       98.03616 
1 1 1 -13 5  10 f 1542.608 39.19397 61.05197       3.060260  60.81029       4.369953  61.28456       4.286964  1539.373 56.07241 1545.844 54.77731 -6.470459      78.38793 
1 1 1 -13 5  11 o 697.1855 45.20290 12.34055       1.519137  11.50545       1.881747  13.90335       2.574199  666.2174 56.31829 728.1536 70.72099 -61.93622      90.40579 
1 1 1 -13 5  12 o 348.8808 67.50072 3.551926       1.283067  4.514709       1.623983  1.952637       2.093056  406.7557 81.69813 291.0058 107.4747 115.7499       135.0014 
1 1 1 -13 5  13 o 435.9401 67.27737 5.196778       1.343457  5.658769       2.476356  5.004093       1.599264  442.9802 110.7234 428.9001 76.45468 14.08017       134.5547 
1 1 1 -13 5  14 o 303.4594 77.34280 2.312085       1.483012  2.068667       1.877392  2.716041       2.418501  285.5230 102.3143 321.3958 116.0148 -35.87283      154.6856 
1 1 1 -13 5  15 o 632.6017 68.04449 12.81468       1.684720  8.446935       3.289137  14.36815       1.961572  524.8718 125.4796 740.3315 52.67897 -215.4598      136.0890 
1 1 1 -13 5  16 o 410.1667 61.93884 5.201830       1.234121  3.267431       1.978717  6.433382       1.578835  333.2443 105.0196 487.0891 65.70055 -153.8448      123.8777 
1 1 1 -13 5  17 o 181.9175 58.31680 -1.000678      1.241821  -2.769934      1.875092  0.3815960      1.657389  154.9970 75.34866 208.8381 89.02796 -53.84108      116.6336 
1 1 1 -13 5  18 o 207.7440 64.79439 -0.5200344E-01 1.331133  0.8215209      2.025710  -0.7158476     1.765927  232.9747 98.84338 182.5132 83.80475 50.46150       129.5888 
1 1 1 -13 5  19 o 222.8383 68.20070 0.6157750      1.387090  0.2903387      2.303440  0.8009257      1.737427  226.1655 100.4790 219.5111 92.24596 6.654373       136.4014 
1 1 1 -13 5  20 o 311.5699 83.86724 3.367279       1.829801  3.533405       2.383386  3.128800       2.855624  318.5777 115.1430 304.5621 121.9711 14.01559       167.7345 
1 1 1 -13 6  1  o 971.7089 47.46981 23.44370       2.234876  21.41328       2.759012  27.31815       3.811236  913.8473 59.96697 1029.571 73.60363 -115.7233      94.93962 
1 1 1 -13 6  2  o 1499.976 55.79889 57.38567       4.237342  57.38567       4.237342  0.000000       0.000000  1499.976 55.79889 ?        ?        ?              ?        
1 1 1 -13 6  3  o 1327.586 38.72867 45.08159       2.589938  50.39915       3.670496  39.80883       3.655003  1406.348 51.55234 1248.823 57.81000 157.5243       77.45734 
1 1 1 -13 6  4  o 555.2759 44.14733 7.941840       1.216371  7.366318       1.652983  8.621534       1.796365  533.1857 62.41710 577.3662 62.45041 -44.18054      88.29466 
1 1 1 -13 6  5  o 226.6109 84.22211 1.031657       1.289371  0.000000       0.000000  1.031657       1.289371  ?        ?        226.6109 84.22211 ?              ?        
1 1 1 -13 6  6  o 1133.083 44.86452 33.18245       2.467082  32.12572       4.050810  33.80553       3.110510  1115.528 72.11214 1150.638 53.39605 -35.11072      89.72903 
1 1 1 -13 6  7  o 1488.344 38.53806 56.62390       2.902862  58.51831       4.116407  54.74985       4.094217  1513.311 53.72872 1463.377 55.26257 49.93420       77.07612 
1 1 1 -13 6  8  o 978.5275 44.79934 23.33722       2.074049  28.64136       3.766105  21.02827       2.484802  1051.984 71.13100 905.0706 54.48217 146.9139       89.59869 
1 1 1 -13 6  9  o 1088.293 45.95809 30.43789       2.394251  30.17793       2.950870  30.93876       4.096021  1085.581 53.69133 1091.006 74.60446 -5.424805      91.91618 
1 1 1 -13 6  10 o 1104.105 37.28482 31.26602       2.082652  31.31189       3.003206  31.22352       2.890648  1104.616 53.70197 1103.594 51.73713 1.021851       74.56965 
1 1 1 -13 6  11 o 705.0254 40.00501 12.94160       1.406027  12.46838       2.089546  13.33315       1.900690  691.9889 60.24543 718.0620 52.65067 -26.07306      80.01003 
1 1 1 -13 6  12 o 534.5478 47.38798 7.720070       1.219877  6.137385       1.771205  9.148266       1.682541  477.3831 75.82040 591.7125 56.86606 -114.3294      94.77596 
1 1 1 -13 6  13 o 590.3253 59.74745 9.382601       1.677945  8.994268       2.106256  10.05717       2.776015  578.6552 73.55892 601.9954 94.17068 -23.34027      119.4949 
1 1 1 -13 6  14 o 649.8409 56.67993 10.48390       1.723503  8.543156       2.062558  14.97482       3.137536  561.3162 74.41408 738.3656 85.51610 -177.0494      113.3599 
1 1 1 -13 6  15 o 241.0800 73.08804 0.1910730      1.682645  -1.976792      2.776200  1.449867       2.115494  215.9845 101.1721 266.1754 105.5066 -50.19090      146.1761 
1 1 1 -13 6  16 o 855.0657 53.59648 21.36506       1.930891  17.20705       3.673140  22.95284       2.269812  773.6808 95.82627 936.4506 48.03807 -162.7698      107.1930 
1 1 1 -13 6  17 o 467.7422 69.81991 6.702977       1.474773  6.311882       2.737805  6.862848       1.750437  439.8297 119.7359 495.6547 71.85121 -55.82498      139.6398 
1 1 1 -13 6  18 f 318.3047 76.11182 3.260770       1.447475  3.024348       2.361820  3.402989       1.831811  309.0463 114.1608 327.5631 100.6944 -18.51678      152.2236 
1 1 1 -13 6  19 o 364.7595 74.92445 4.003397       1.522800  6.833965       2.471738  2.271767       1.933273  454.3621 108.8771 275.1569 102.9586 179.2052       149.8489 
1 1 1 -13 6  20 o 382.8035 88.99359 5.490312       2.060526  3.789035       2.779287  7.566749       3.070472  321.2469 122.7095 444.3600 128.9257 -123.1132      177.9872 
1 1 1 -13 7  1  o 497.7402 53.18171 6.522123       1.243941  9.347074       1.843099  4.158780       1.685802  601.5728 61.37665 393.9077 86.86821 207.6651       106.3634 
1 1 1 -13 7  2  o 827.6033 43.85940 17.62369       1.822316  18.54221       2.580229  16.70954       2.574069  849.5861 60.38156 805.6204 63.62906 43.96570       87.71880 
1 1 1 -13 7  3  o 672.1936 49.12316 12.13133       1.562328  10.07895       2.492769  13.45906       2.004976  620.3168 81.33516 724.0703 55.10836 -103.7535      98.24632 
1 1 1 -13 7  4  o 1539.765 47.98389 61.27660       3.537884  59.66363       6.006793  62.13334       4.377771  1519.801 78.33427 1559.728 55.43966 -39.92639      95.96778 
1 1 1 -13 7  5  o 1209.387 45.23687 38.34653       2.606064  35.03678       4.379180  40.16140       3.242787  1164.226 74.69117 1254.547 51.05611 -90.32104      90.47373 
1 1 1 -13 7  6  o 2292.408 57.08223 135.0372       6.206996  133.4859       7.543625  138.2892       10.92182  2280.432 65.34003 2304.385 93.61732 -23.95288      114.1645 
1 1 1 -13 7  7  o 623.8791 41.85880 10.13779       1.290465  8.555438       1.835200  11.68542       1.814955  573.7897 64.27973 673.9684 53.63536 -100.1787      83.71760 
1 1 1 -13 7  8  o 640.7715 64.67117 12.69156       1.665595  7.458372       3.047032  14.92159       1.989066  519.4300 118.4902 762.1130 51.86051 -242.6830      129.3423 
1 1 1 -13 7  9  f 1374.647 48.32766 50.50789       3.128994  53.99541       3.879515  44.01652       5.292831  1451.595 52.78958 1297.699 80.96611 153.8964       96.65532 
1 1 1 -13 7  10 o 817.9572 36.72143 17.22969       1.512123  17.73531       2.178102  16.75928       2.100915  829.5209 52.12923 806.3936 51.73391 23.12732       73.44286 
1 1 1 -13 7  11 o 567.7116 45.37716 8.514141       1.271766  8.046452       1.875143  8.912523       1.730635  551.5401 68.63919 583.8831 59.37178 -32.34302      90.75433 
1 1 1 -13 7  12 f 653.2052 41.84126 11.12043       1.363269  11.86718       2.041172  10.51908       1.831700  672.4933 60.60369 633.9171 57.70578 38.57623       83.68252 
1 1 1 -13 7  13 o 437.4575 67.72301 5.447677       1.447557  5.602004       1.918289  5.243575       2.206052  448.2166 87.67671 426.6984 103.2396 21.51822       135.4460 
1 1 1 -13 7  14 o 407.1353 57.58210 4.663889       1.141065  4.190121       1.675843  5.073377       1.558011  384.3297 88.02159 429.9407 74.26301 -45.61099      115.1642 
1 1 1 -13 7  15 o 528.5863 83.19822 7.448567       1.680021  10.30651       4.274481  6.926425       1.827056  555.1655 148.9777 502.0070 74.11752 53.15851       166.3964 
1 1 1 -13 7  16 o 281.5220 65.73999 2.095257       1.245467  0.1900257      1.886430  3.567471       1.658259  215.2219 93.39137 347.8221 92.54750 -132.6001      131.4800 
1 1 1 -13 7  17 f 278.0622 76.57122 1.854498       1.604185  3.130856       2.333657  0.7110561      2.208808  317.8981 114.0550 238.2263 102.1962 79.67177       153.1424 
1 1 1 -13 7  18 o 216.7004 64.64908 -0.1960605     1.418273  2.159716       1.930741  -2.957080      2.090219  272.3929 102.6992 161.0079 78.55503 111.3849       129.2982 
1 1 1 -13 7  19 o 513.9038 72.64277 8.596694       1.679733  8.205092       3.057408  8.765997       2.010306  477.4791 125.0090 550.3286 74.03132 -72.84946      145.2855 
1 1 1 -13 7  20 o 343.4196 85.79677 4.222951       1.859090  2.916776       2.382879  6.254737       2.971941  291.5731 113.0331 395.2661 129.1040 -103.6930      171.5935 
1 1 1 -13 8  1  o 359.5248 69.95527 3.386111       1.236000  3.626940       2.265151  3.284004       1.474928  369.4467 111.6542 349.6030 84.31069 19.84378       139.9105 
1 1 1 -13 8  2  o 1398.437 45.89656 49.21850       3.072323  53.28017       5.356908  47.22763       3.750449  1437.097 73.87810 1359.777 54.47938 77.32056       91.79311 
1 1 1 -13 8  3  f 748.2581 49.66370 14.98805       1.767377  12.66453       2.829709  16.47420       2.263078  695.6177 81.92071 800.8985 56.16877 -105.2808      99.32740 
1 1 1 -13 8  4  o 205.3439 62.74051 -0.2160355     1.221758  0.6905356      1.443668  -2.503891      2.293404  219.4003 87.09726 191.2875 90.33025 28.11281       125.4810 
1 1 1 -13 8  5  o 1108.647 37.23338 31.39504       2.089485  30.65746       2.928887  32.15949       2.981780  1095.359 52.81563 1121.935 52.49579 -26.57532      74.46677 
1 1 1 -13 8  6  o 1123.573 37.71581 32.30585       2.142659  32.89064       2.972840  31.67366       3.090966  1134.491 51.75909 1112.655 54.87190 21.83643       75.43162 
1 1 1 -13 8  7  o 632.2847 42.83918 10.32759       1.352475  9.626884       1.865910  11.10326       1.963171  609.3749 61.31397 655.1946 59.84463 -45.81970      85.67837 
1 1 1 -13 8  8  o 919.5741 45.04708 19.94880       1.944123  27.44898       3.635917  16.94595       2.300622  1028.314 70.26066 810.8341 56.39501 217.4800       90.09415 
1 1 1 -13 8  9  o 973.1702 37.58200 24.35514       1.840901  24.71440       2.697858  24.04212       2.518266  979.4462 54.62453 966.8940 51.63127 12.55219       75.16400 
1 1 1 -13 8  10 o 692.4934 40.77766 12.44224       1.393577  15.41292       2.034642  9.817140       1.912642  772.3155 52.34580 612.6714 62.53949 159.6441       81.55533 
1 1 1 -13 8  11 o 546.8707 45.43162 8.028678       1.203190  6.439015       1.739287  9.487548       1.666200  490.5211 72.19689 603.2203 55.17007 -112.6991      90.86324 
1 1 1 -13 8  12 o 351.5046 59.14880 1.791204       1.088532  7.545037       2.287575  0.1070228      1.237630  522.0807 89.78448 180.9285 77.02643 341.1523       118.2976 
1 1 1 -13 8  13 o 803.0769 46.29079 17.50512       1.815265  20.12465       2.454683  14.34360       2.696695  876.4468 55.60851 729.7070 74.02055 146.7398       92.58157 
1 1 1 -13 8  14 o 722.3556 76.94074 16.23433       2.264356  12.79553       4.358792  17.50538       2.649995  635.1311 139.3824 809.5801 65.20775 -174.4490      153.8815 
1 1 1 -13 8  15 o 376.5482 61.75340 4.614804       1.223998  1.849676       2.029846  6.194695       1.534331  275.3165 104.9389 477.7800 65.12875 -202.4635      123.5068 
1 1 1 -13 8  16 o 215.2654 62.92021 0.1776583      1.306386  -3.231864      2.325041  1.750670       1.579246  173.0851 84.08672 257.4457 93.62283 -84.36053      125.8404 
1 1 1 -13 8  17 o 264.0034 69.25082 1.937473       1.225147  2.016894       1.849183  1.875337       1.635640  268.5994 100.6573 259.4073 95.13574 9.192169       138.5016 
1 1 1 -13 8  18 o 472.5179 65.00481 6.635999       1.473951  8.345797       2.375751  5.566024       1.879383  519.7117 93.74200 425.3241 90.08293 94.38760       130.0096 
1 1 1 -13 8  19 o 288.8526 73.76311 1.869336       1.574314  5.155647       2.449248  -0.4443535     2.055091  379.9119 116.3759 197.7932 90.66777 182.1187       147.5262 
1 1 1 -13 8  20 o 291.6735 116.0737 3.061377       2.569873  3.061377       2.569873  0.000000       0.000000  291.6735 116.0737 ?        ?        ?              ?        
1 1 1 -13 9  1  o 1380.439 57.24286 49.31740       3.975813  46.95431       5.426679  52.05559       5.841509  1345.120 80.04910 1415.759 81.84814 -70.63904      114.4857 
1 1 1 -13 9  2  o 1336.861 46.76475 45.02721       3.058842  49.73736       5.094882  42.37256       3.824899  1387.461 72.78596 1286.260 58.73645 101.2018       93.52950 
1 1 1 -13 9  3  o 1279.033 45.94796 41.50765       2.870135  44.29704       4.766739  39.92122       3.594823  1309.215 72.19525 1248.851 56.85690 60.36401       91.89593 
1 1 1 -13 9  4  o 1183.800 38.20018 35.84210       2.289414  35.75261       3.240932  35.93124       3.234518  1182.297 54.14515 1185.303 53.90099 -3.005127      76.40035 
1 1 1 -13 9  5  o 1428.853 38.28119 52.23717       2.769112  52.86386       3.931115  51.61995       3.901287  1437.392 54.02029 1420.314 54.25500 17.07776       76.56237 
1 1 1 -13 9  6  o 1276.593 37.83877 41.70227       2.445105  40.94239       3.419612  42.49716       3.497505  1264.726 53.40683 1288.460 53.61717 -23.73389      75.67754 
1 1 1 -13 9  7  o 1013.932 38.34843 26.36923       1.958604  24.56810       2.708212  28.34431       2.835972  977.4014 54.95306 1050.462 53.50301 -73.06067      76.69687 
1 1 1 -13 9  8  o 1373.909 48.49016 48.78282       3.111696  49.34966       5.581265  48.52716       3.748308  1372.797 80.65940 1375.021 53.84462 -2.224365      96.98032 
1 1 1 -13 9  9  o 154.0313 49.50323 -0.6893716     0.8351213 -0.4519594     1.268611  -0.8709369     1.109413  166.2376 74.16468 141.8251 65.58871 24.41252       99.00645 
1 1 1 -13 9  10 o 870.7236 48.57143 20.83224       1.978421  23.15626       2.493994  16.88726       3.249360  946.2912 52.26051 795.1560 81.88757 151.1352       97.14286 
1 1 1 -13 9  11 o 366.9218 60.69476 3.853137       1.109520  2.986677       1.709348  4.483973       1.458528  327.3561 96.54549 406.4874 73.58247 -79.13132      121.3895 
1 1 1 -13 9  12 o 1014.801 37.74428 26.86178       1.894068  26.59056       2.984543  27.04467       2.450853  1006.863 58.80526 1022.739 47.33355 -15.87531      75.48856 
1 1 1 -13 9  13 o 374.5479 70.46006 4.072262       1.364866  3.598217       1.912408  4.564383       1.948525  351.9921 101.6393 397.1037 97.61108 -45.11166      140.9201 
1 1 1 -13 9  14 o 860.7573 71.49625 22.40316       2.099814  19.20934       5.135080  23.04443       2.300985  782.3531 134.4946 939.1614 48.55988 -156.8082      142.9925 
1 1 1 -13 9  15 o 408.1588 65.90203 5.523162       1.373847  2.615159       2.311012  7.112568       1.708529  306.4863 112.9807 509.8312 67.87991 -203.3449      131.8041 
1 1 1 -13 9  16 o 335.3905 71.50213 3.171834       1.328890  5.006536       2.156299  2.048272       1.687426  400.2093 105.0816 270.5717 96.99527 129.6376       143.0043 
1 1 1 -13 9  17 o 317.7827 71.17096 3.294099       1.327660  2.333077       2.125439  3.909014       1.700159  281.4490 107.3563 354.1164 93.46572 -72.66739      142.3419 
1 1 1 -13 9  18 o 284.1207 70.91438 1.943537       1.340564  4.543192       2.222980  0.4578235      1.680526  363.2735 110.7942 204.9678 88.54408 158.3056       141.8288 
1 1 1 -13 9  19 o 377.1305 96.93266 4.556875       1.762368  9.359687       5.286910  3.956474       1.869282  411.3625 165.5302 342.8985 100.9134 68.46399       193.8653 
1 1 1 -13 10 1  o 1607.945 51.69101 67.07944       3.904281  67.47848       4.736354  66.23341       6.896545  1622.514 57.65966 1593.376 85.80911 29.13794       103.3820 
1 1 1 -13 10 2  o 504.4974 78.53011 8.545528       1.777623  10.08195       2.026480  3.417052       3.702379  622.8708 65.23049 386.1241 142.8737 236.7468       157.0602 
1 1 1 -13 10 3  o 984.8002 53.49847 25.92674       2.370780  26.93523       2.829366  23.54980       4.343728  1024.258 54.76109 945.3422 91.92153 78.91583       106.9969 
1 1 1 -13 10 4  f 626.4282 44.06089 10.26847       1.364170  11.18161       1.867410  9.223552       1.997622  658.1511 56.59464 594.7052 67.54625 63.44592       88.12179 
1 1 1 -13 10 5  o 350.4288 76.80415 2.788557       1.296180  4.404435       2.806572  2.350456       1.461366  402.8919 124.7696 297.9658 89.59943 104.9261       153.6083 
1 1 1 -13 10 6  o 740.0935 40.14764 14.18128       1.487432  14.79238       2.051536  13.50403       2.159725  757.7733 53.82581 722.4138 59.58282 35.35956       80.29527 
1 1 1 -13 10 7  o 1315.062 37.52719 44.35838       2.497925  43.35646       3.489487  45.41138       3.577350  1299.854 53.02532 1330.270 53.11755 -30.41589      75.05437 
1 1 1 -13 10 8  o 702.1163 41.61125 12.94445       1.445902  11.55217       2.139994  14.11392       1.961301  665.0294 64.36590 739.2034 52.75430 -74.17401      83.22250 
1 1 1 -13 10 9  f 564.1039 44.31230 8.359501       1.239364  8.314731       1.828220  8.397570       1.685873  561.7603 65.51321 566.4476 59.68533 -4.687378      88.62460 
1 1 1 -13 10 10 o 441.4487 68.55595 5.649839       1.455560  6.225927       1.838676  4.682755       2.382282  479.1642 78.51457 403.7332 112.4061 75.43091       137.1119 
1 1 1 -13 10 11 o 275.0675 62.46871 1.666782       1.043779  3.378166       1.675924  0.5822895      1.334117  345.6005 93.51303 204.5346 82.85332 141.0659       124.9374 
1 1 1 -13 10 12 f 668.5884 41.11722 11.95508       1.348896  10.81767       2.058326  12.81125       1.785821  636.9151 64.73319 700.2616 50.71604 -63.34650      82.23444 
1 1 1 -13 10 13 o 831.7665 45.75158 18.43915       1.908046  19.94634       2.775751  17.08903       2.627148  864.6183 63.86413 798.9147 65.53015 65.70361       91.50316 
1 1 1 -13 10 14 o 714.5581 52.05206 13.46562       1.870091  0.000000       0.000000  13.46562       1.870091  ?        ?        714.5581 52.05206 ?              ?        
1 1 1 -13 10 15 o 318.8121 71.41856 3.208383       1.341033  1.612462       2.508289  3.847147       1.586872  275.6252 112.8638 361.9991 87.54544 -86.37396      142.8371 
1 1 1 -13 10 16 o 212.0104 71.35197 -0.4875644     1.436500  -5.619333      4.888634  -0.2587835E-02 1.502846  237.3901 116.7102 186.6306 82.11663 50.75948       142.7039 
1 1 1 -13 10 17 o 356.0549 91.36771 3.425702       1.611742  7.822368       4.260967  2.691600       1.741105  420.5443 153.6544 291.5656 98.90681 128.9788       182.7354 
1 1 1 -13 10 18 o 272.2645 73.85062 2.243568       1.495877  3.084823       1.961588  1.074485       2.312420  303.7014 104.9283 240.8277 103.9505 62.87372       147.7012 
1 1 1 -13 10 19 o 318.8849 72.52100 3.686810       1.470649  1.832109       2.385939  4.823205       1.867614  257.1555 108.0842 380.6144 96.72117 -123.4590      145.0420 
1 1 1 -13 11 1  o 594.6659 60.92546 7.925960       1.586674  6.396750       1.809541  13.01223       3.300160  491.6205 75.08501 697.7113 95.96816 -206.0908      121.8509 
1 1 1 -13 11 2  o 533.8634 74.66433 7.669702       2.023013  13.82162       3.052768  2.852764       2.701307  723.4269 84.96998 344.3000 122.7972 379.1269       149.3287 
1 1 1 -13 11 3  o 1127.251 40.02268 32.62677       2.279379  31.89248       3.166191  33.41677       3.284098  1113.475 56.34937 1141.028 56.85076 -27.55310      80.04536 
1 1 1 -13 11 4  o 1004.509 38.61449 25.97274       1.954530  26.45270       2.723129  25.46274       2.807027  1014.521 53.20349 994.4979 55.97950 20.02319       77.22898 
1 1 1 -13 11 5  o 1559.952 39.97134 62.52906       3.156650  62.79514       4.450692  62.25972       4.477787  1563.413 56.23028 1556.491 56.82419 6.922119       79.94268 
1 1 1 -13 11 6  o 1168.489 38.29061 35.10180       2.262732  36.99338       3.202585  33.21635       3.197394  1200.398 52.69772 1136.579 55.56647 63.81885       76.58121 
1 1 1 -13 11 7  o 586.6439 43.96955 8.718235       1.250594  6.481913       1.629809  11.92029       1.950220  495.6942 66.63154 677.5937 57.38922 -181.8995      87.93909 
1 1 1 -13 11 8  o 986.2545 38.75898 25.20458       1.923505  24.83233       2.800477  25.53703       2.646539  978.5389 56.77289 993.9702 52.78138 -15.43121      77.51796 
1 1 1 -13 11 9  o 865.7007 50.02458 19.41089       1.965906  20.79372       3.701607  18.86761       2.320167  879.2274 84.18755 852.1741 54.05822 27.05328       100.0492 
1 1 1 -13 11 10 o 310.6680 71.02393 2.653179       1.270861  2.735319       1.700667  2.549307       1.912455  313.7879 97.11650 307.5480 103.6628 6.239899       142.0479 
1 1 1 -13 11 11 o 414.4304 58.39241 5.044985       1.139487  3.806385       1.855082  5.795480       1.444014  363.4839 98.39809 465.3768 62.90078 -101.8929      116.7848 
1 1 1 -13 11 12 o 455.6348 71.13068 5.797130       1.558931  7.320996       2.576900  4.917492       1.957834  499.2167 105.2736 412.0528 95.68572 87.16388       142.2614 
1 1 1 -13 11 13 o 239.7217 77.69728 0.1241377      1.228490  0.2060113E-03  4.323834  0.1350205      1.281294  297.3011 134.4131 182.1424 77.97812 115.1587       155.3946 
1 1 1 -13 11 14 o 216.7220 83.78550 1.004087       1.306491  0.000000       0.000000  1.004087       1.306491  ?        ?        216.7220 83.78550 ?              ?        
1 1 1 -13 11 15 f 282.3072 71.66383 2.016499       1.465991  0.3875664E-01  2.155956  3.717337       1.999339  219.9620 97.49031 344.6524 105.0640 -124.6904      143.3277 
1 1 1 -13 11 16 o 277.8787 73.67188 1.934865       1.532742  3.822178       2.203801  0.1665858      2.133172  338.2568 111.2083 217.5006 96.65865 120.7562       147.3438 
1 1 1 -13 11 17 o 358.6605 70.93569 4.167411       1.316298  4.759743       2.097147  3.782364       1.690843  374.8123 105.8594 342.5087 94.45254 32.30356       141.8714 
1 1 1 -13 11 18 o 296.3400 75.54792 2.921414       1.425809  3.490041       2.263979  2.547634       1.835553  313.3206 112.3471 279.3593 101.0350 33.96133       151.0958 
1 1 1 -13 11 19 o 242.7813 69.50519 1.607440       1.278207  2.396363       2.149143  1.175630       1.589989  267.1936 106.2057 218.3689 89.68967 48.82469       139.0104 
1 1 1 -13 12 1  o 639.9978 42.79374 10.64952       1.368288  10.79531       1.897010  10.49142       1.975478  645.0829 58.72905 634.9127 62.25845 10.17029       85.58747 
1 1 1 -13 12 2  o 323.8131 70.44123 2.976851       1.273352  3.578677       1.472889  1.196088       2.533598  363.2349 82.03265 284.3913 114.5361 78.84360       140.8825 
1 1 1 -13 12 3  o 1481.750 51.64905 56.32544       3.471864  55.27996       4.082849  59.05563       6.597843  1466.722 54.98341 1496.777 87.44897 -30.05444      103.2981 
1 1 1 -13 12 4  f 1165.680 38.13412 34.90854       2.249395  33.43095       3.155522  36.43506       3.207361  1140.372 54.65640 1190.989 53.19325 -50.61682      76.26823 
1 1 1 -13 12 5  o 854.2168 54.66573 19.42530       2.044155  18.75381       3.941536  19.67236       2.390809  835.6066 94.85134 872.8269 54.37453 -37.22028      109.3315 
1 1 1 -13 12 6  f 1019.478 38.45906 26.85312       1.977402  26.13138       2.784022  27.58791       2.809084  1005.422 54.90179 1033.533 53.87199 -28.11011      76.91812 
1 1 1 -13 12 7  o 774.0483 40.58139 15.45002       1.567962  13.21827       2.118432  18.15386       2.331752  711.7539 59.33025 836.3428 55.38337 -124.5889      81.16277 
1 1 1 -13 12 8  o 471.5089 56.52413 6.063934       1.297966  5.664429       1.861503  6.441951       1.810750  454.4027 84.01140 488.6152 75.64386 -34.21252      113.0483 
1 1 1 -13 12 9  o 190.2049 61.43343 -0.6080029     1.094947  -0.6899704     2.339045  -0.5850005     1.239095  221.7853 99.69495 158.6244 71.81352 63.16096       122.8669 
1 1 1 -13 12 10 f 286.3591 68.14273 2.067563       1.204664  1.196081       1.624726  3.131667       1.795326  241.4285 93.40707 331.2898 99.24136 -89.86127      136.2855 
1 1 1 -13 12 11 o 322.2547 73.08566 2.799256       1.226438  3.367013       2.438958  2.607105       1.418878  341.3112 117.0538 303.1982 87.54691 38.11304       146.1713 
1 1 1 -13 12 12 o 330.5173 68.24339 3.148812       1.310576  1.570634       1.877491  4.648621       1.830281  261.0622 100.5757 399.9723 92.26680 -138.9101      136.4868 
1 1 1 -13 12 13 o 610.9131 70.25121 10.23504       2.133235  0.000000       0.000000  10.23504       2.133235  ?        ?        610.9131 70.25121 ?              ?        
1 1 1 -13 12 14 o 777.0600 47.86328 15.93011       1.873796  0.000000       0.000000  15.93011       1.873796  ?        ?        777.0600 47.86328 ?              ?        
1 1 1 -13 12 15 o 237.2891 67.24323 1.278114       1.217750  0.7836246      2.050453  1.547562       1.513590  232.1863 99.00356 242.3918 91.02143 -10.20554      134.4865 
1 1 1 -13 12 16 o 353.9563 70.28802 3.948216       1.302334  5.146915       2.061465  3.152042       1.680060  395.3993 102.2278 312.5133 96.49403 82.88593       140.5760 
1 1 1 -13 12 17 o 261.2395 68.40134 1.830340       1.442722  -0.9974829     2.329929  3.588856       1.837341  196.6986 92.31221 325.7805 100.9625 -129.0819      136.8027 
1 1 1 -13 12 18 o 231.1878 66.24442 1.226754       1.301933  -0.2142271     1.981588  2.321231       1.726981  195.5232 89.40800 266.8523 97.77271 -71.32910      132.4888 
1 1 1 -13 12 19 o 298.1813 71.75699 3.195381       1.294321  4.039910       1.981128  2.566464       1.709628  326.8427 105.3064 269.5199 97.50296 57.32272       143.5140 
1 1 1 -13 13 1  o 476.2371 76.36264 6.301551       1.591231  6.263473       3.261625  6.313445       1.822884  466.6153 132.0981 485.8590 76.64919 -19.24368      152.7253 
1 1 1 -13 13 2  o 277.6797 71.37690 1.719380       1.144435  1.704791       1.296875  1.770723       2.432924  258.5700 85.32452 296.7895 114.4481 -38.21954      142.7538 
1 1 1 -13 13 3  o 476.5548 70.36294 5.358644       1.378225  4.699521       1.534154  8.115612       3.137629  418.0654 75.25113 535.0443 118.9161 -116.9789      140.7259 
1 1 1 -13 13 4  o 805.6472 39.30046 16.84448       1.589243  16.47505       2.312815  17.17494       2.187477  796.4858 57.74836 814.8085 53.32197 -18.32263      78.60092 
1 1 1 -13 13 5  o 603.5071 43.94834 9.580984       1.317648  9.134523       1.921179  9.977531       1.810605  588.8991 65.55051 618.1151 58.55731 -29.21594      87.89668 
1 1 1 -13 13 6  o 246.3427 57.90905 1.320937       0.8784534 0.5514438      1.137158  2.459696       1.383357  193.1087 77.09805 299.5767 86.42757 -106.4679      115.8181 
1 1 1 -13 13 7  o 277.8524 61.80834 1.934677       1.194093  -0.9111730     1.995003  3.523357       1.490582  199.5932 90.66212 356.1117 84.03251 -156.5184      123.6167 
1 1 1 -13 13 8  o 632.2432 64.41605 11.77833       1.805554  8.945404       3.048738  13.30869       2.240783  555.0252 112.3534 709.4611 63.04294 -154.4359      128.8321 
1 1 1 -13 13 9  f 705.2336 58.20660 13.11998       2.059637  0.000000       0.000000  13.11998       2.059637  ?        ?        705.2336 58.20660 ?              ?        
1 1 1 -13 13 10 o 244.1164 74.53638 0.3970649      1.403624  0.2167616      1.579974  1.072196       3.057328  203.0164 86.74429 285.2163 121.2358 -82.19984      149.0728 
1 1 1 -13 13 11 o 375.2811 61.88925 4.284689       1.145597  3.089553       1.887887  4.981262       1.441287  324.7170 102.6075 425.8451 69.23014 -101.1281      123.7785 
1 1 1 -13 13 12 o 368.6929 72.53678 4.385353       1.456720  2.646661       2.521568  5.256299       1.784658  309.9004 117.2384 427.4854 85.44875 -117.5850      145.0736 
1 1 1 -13 13 13 o 565.3920 57.92951 8.614199       1.634774  0.000000       0.000000  8.614199       1.634774  ?        ?        565.3920 57.92951 ?              ?        
1 1 1 -13 13 14 o 343.8784 70.87809 3.455048       1.177024  4.244994       2.403586  3.205863       1.349963  358.3089 116.0494 329.4478 81.40853 28.86105       141.7562 
1 1 1 -13 13 15 o 392.5873 64.68338 5.719503       1.349690  2.159261       2.457144  7.257862       1.615175  276.7496 112.3245 508.4250 64.17908 -231.6754      129.3668 
1 1 1 -13 13 16 o 456.8162 66.87063 6.730332       1.464452  6.501979       2.337806  6.877810       1.878745  436.6050 106.6733 477.0274 80.66923 -40.42239      133.7413 
1 1 1 -13 13 17 o 235.3008 69.95430 1.252548       1.392279  1.819243       2.184954  0.8651468      1.806540  253.6172 104.7598 216.9843 92.73508 36.63284       139.9086 
1 1 1 -13 13 18 o 186.9047 60.47706 -0.1962475     1.287867  -0.4552565     1.876378  0.3444417E-01  1.770838  183.6470 85.05956 190.1623 85.99286 -6.515320      120.9541 
1 1 1 -13 14 1  o 1085.729 50.51503 31.20572       2.580413  30.58164       4.492349  31.51302       3.152328  1069.757 83.61251 1101.702 56.70997 -31.94458      101.0301 
1 1 1 -13 14 2  o 553.1895 50.29807 8.272890       1.347157  9.210026       1.820216  7.137817       2.003243  592.1789 61.61596 514.2001 79.51764 77.97876       100.5961 
1 1 1 -13 14 3  o 225.9826 66.83389 0.6950620      1.100265  1.153744       1.181073  -2.316990      3.026580  224.4114 81.06308 227.5538 106.2820 -3.142395      133.6678 
1 1 1 -13 14 4  o 668.7896 45.27990 11.84940       1.499278  13.45955       2.109730  10.20658       2.131028  717.4297 58.59662 620.1494 69.04717 97.28040       90.55979 
1 1 1 -13 14 5  o 306.0942 60.98461 2.570833       0.9949664 3.121694       1.441848  2.070056       1.374740  334.9081 84.91753 277.2802 87.55287 57.62796       121.9692 
1 1 1 -13 14 6  o 150.0835 48.73663 -0.7788228     0.8450609 -0.8886789     1.180075  -0.6631895     1.210707  145.8886 67.53031 154.2785 70.29007 -8.389862      97.47326 
1 1 1 -13 14 7  o 598.5273 57.43713 10.01427       1.628462  10.82943       2.107806  8.807244       2.564872  637.1332 66.31754 559.9214 93.79808 77.21179       114.8743 
1 1 1 -13 14 8  o 371.4709 65.06367 3.964848       1.219261  4.253218       1.706988  3.664479       1.742140  386.4247 89.07854 356.5171 94.85851 29.90753       130.1273 
1 1 1 -13 14 9  o 346.3405 87.08817 3.438393       1.525467  0.000000       0.000000  3.438393       1.525467  ?        ?        346.3405 87.08817 ?              ?        
1 1 1 -13 14 10 o 208.6191 65.45909 -0.1944649     1.331906  0.5918605E-05  2.193680  -0.3080122     1.676233  225.3767 99.18689 191.8615 85.44900 33.51524       130.9182 
1 1 1 -13 14 11 o 257.4255 73.00709 1.367145       1.390961  1.583082       2.383200  1.255582       1.713000  272.9566 110.6786 241.8944 95.23856 31.06224       146.0142 
1 1 1 -13 14 12 o 461.8439 73.42046 7.038411       1.670365  4.699255       2.744896  8.414057       2.104988  378.2863 124.0996 545.4014 78.49543 -167.1151      146.8409 
1 1 1 -13 14 13 o 304.4646 87.76099 1.855487       1.269782  4.701060       4.768712  1.638335       1.317342  364.9872 153.0735 243.9420 85.88634 121.0452       175.5220 
1 1 1 -13 14 14 o 373.9318 69.02768 4.527155       1.261228  4.160722       2.345671  4.676174       1.495857  348.5022 114.7395 399.3614 76.77321 -50.85919      138.0554 
1 1 1 -13 14 15 o 256.0033 71.11530 1.732173       1.267437  2.693643       2.266371  1.294642       1.528859  285.9550 110.4078 226.0516 89.66418 59.90341       142.2306 
1 1 1 -13 14 16 o 325.3772 73.00282 3.147250       1.287442  5.693152       2.373039  2.085335       1.532601  394.0889 113.0538 256.6654 92.39312 137.4235       146.0056 
1 1 1 -13 14 17 o 223.5022 68.26356 0.7425684      1.378600  2.160038       2.270251  -0.8544952E-01 1.735149  260.3333 107.0776 186.6712 84.69972 73.66211       136.5271 
1 1 1 -13 14 18 o 289.1825 72.55338 3.229332       1.368922  2.540518       2.248553  3.634985       1.725556  262.8040 107.1503 315.5610 97.85084 -52.75702      145.1068 
1 1 1 -13 15 1  o 785.1537 57.60291 15.33012       2.080560  20.37172       3.959128  13.40664       2.445452  860.6202 92.30779 709.6872 68.93223 150.9330       115.2058 
1 1 1 -13 15 2  o 464.8959 80.65053 5.930672       1.829397  0.000000       0.000000  5.930672       1.829397  ?        ?        464.8959 80.65053 ?              ?        
1 1 1 -13 15 3  o 828.0293 59.06698 18.00950       2.318348  16.72519       2.825037  20.65823       4.057024  791.5789 71.25677 864.4797 94.22369 -72.90082      118.1340 
1 1 1 -13 15 4  o 476.3257 57.68699 6.763520       1.259393  8.620605       1.650126  4.172601       1.949072  571.7177 57.80420 380.9337 99.84902 190.7841       115.3740 
1 1 1 -13 15 5  o 346.0899 62.28650 3.425167       1.079067  3.589087       1.373903  3.161256       1.743283  359.3695 77.77231 332.8104 97.31342 26.55911       124.5730 
1 1 1 -13 15 6  o 208.4140 61.83693 0.3124032      1.095266  0.8693597      1.692946  -0.8852452E-01 1.436367  231.1462 93.43791 185.6819 81.02211 45.46429       123.6739 
1 1 1 -13 15 7  o 199.8123 60.70352 0.9659585E-01  1.122946  -0.5423918     1.692796  0.5987722      1.500675  187.9548 84.61914 211.6698 87.05901 -23.71495      121.4070 
1 1 1 -13 15 8  o 485.8324 51.13670 6.401405       1.210056  7.244523       1.857825  5.780193       1.594706  512.9896 73.64626 458.6752 70.96533 54.31439       102.2734 
1 1 1 -13 15 9  o 525.0536 73.22918 8.499433       1.619973  7.544827       3.267267  8.810608       1.865413  480.6492 130.7832 569.4581 65.92274 -88.80884      146.4584 
1 1 1 -13 15 10 o 255.1009 68.33804 1.576385       1.225792  1.110337       1.726912  2.049648       1.740229  236.4173 94.79058 273.7844 98.46368 -37.36713      136.6761 
1 1 1 -13 15 11 o 288.8929 68.22263 2.297441       1.478108  -1.652737      2.628061  4.125168       1.787652  208.4446 97.89375 369.3412 95.04801 -160.8966      136.4453 
1 1 1 -13 15 12 f 250.9581 70.27475 1.449170       1.202871  1.693172       2.383002  1.365742       1.393416  269.3947 110.1257 232.5215 87.32973 36.87315       140.5495 
1 1 1 -13 15 13 o 184.2858 66.11633 -1.824778      1.222838  -4.479473      4.695228  -1.631606      1.266548  236.6272 115.9348 131.9444 63.59720 104.6829       132.2327 
1 1 1 -13 15 14 o 376.9818 74.52754 4.774823       1.519895  6.449342       2.263236  3.399267       2.051274  439.6887 103.4066 314.2748 107.3522 125.4139       149.0551 
1 1 1 -13 15 15 o 233.2362 68.85941 0.6068361      1.202701  3.303530       2.452828  -0.2467410     1.379980  299.5303 115.0714 166.9421 75.66400 132.5882       137.7188 
1 1 1 -13 15 16 o 216.1877 61.37667 0.9620689      1.204589  -1.982144      2.227479  2.178988       1.432056  173.6739 83.86510 258.7016 89.63830 -85.02777      122.7533 
1 1 1 -13 15 17 o 313.3998 67.56174 3.753188       1.486145  0.3715844      2.449694  5.722589       1.869466  215.5844 98.88477 411.2152 92.08776 -195.6308      135.1235 
1 1 1 -13 16 1  o 549.8239 53.92902 8.278177       1.460492  8.170390       2.072600  8.384489       2.058371  545.7440 77.16579 553.9037 75.35778 -8.159729      107.8580 
1 1 1 -13 16 2  o 730.7104 65.60770 15.46406       2.235407  12.90936       3.564557  17.12003       2.869872  664.7792 109.7414 796.6417 71.93265 -131.8624      131.2154 
1 1 1 -13 16 3  o 265.4126 113.1915 0.7321420      2.681122  0.7321420      2.681122  0.000000       0.000000  265.4126 113.1915 ?        ?        ?              ?        
1 1 1 -13 16 4  o 580.2446 74.94444 8.819295       1.533476  8.392268       1.654107  11.43077       4.090522  561.4604 59.07804 599.0287 137.7551 -37.56836      149.8889 
1 1 1 -13 16 5  o 590.4335 47.95479 9.362750       1.401852  10.33781       2.094542  8.571569       1.886738  618.2271 68.04681 562.6400 67.58904 55.58710       95.90958 
1 1 1 -13 16 6  o 966.0494 40.83033 24.78504       1.983404  23.11210       2.813772  26.43718       2.796224  931.7883 59.96537 1000.311 55.43119 -68.52228      81.66066 
1 1 1 -13 16 7  o 896.8568 39.11170 21.51604       1.709705  20.43872       2.742875  22.20059       2.186428  872.7305 62.49225 920.9831 47.04912 -48.25256      78.22340 
1 1 1 -13 16 8  o 273.8379 63.28556 2.137917       1.058813  1.215980       1.636827  2.801260       1.388423  237.4851 93.22615 310.1907 85.61036 -72.70566      126.5711 
1 1 1 -13 16 9  o 282.7215 77.15575 1.959015       1.380491  2.478252       2.893274  1.805961       1.570830  306.4985 122.7633 258.9444 93.49438 47.55414       154.3115 
1 1 1 -13 16 10 o 260.3368 76.20864 0.6811881      1.850472  -2.196677      2.762241  3.024308       2.492434  205.0962 97.52097 315.5773 117.1353 -110.4811      152.4173 
1 1 1 -13 16 11 o 885.8453 59.92092 23.82503       2.345148  19.55217       4.113725  25.88223       2.854402  793.9351 104.9150 977.7556 57.92166 -183.8206      119.8418 
1 1 1 -13 16 12 o 339.0389 73.14883 4.314383       1.346899  -0.8985910     4.717464  4.777049       1.405399  270.0908 128.1372 407.9870 70.59640 -137.8961      146.2977 
1 1 1 -13 16 13 o 281.1467 82.43203 2.302665       1.566890  1.664491       4.636890  2.384931       1.664822  288.4633 133.6448 273.8301 96.53610 14.63324       164.8641 
1 1 1 -13 16 14 o 180.8749 58.00570 -0.1787361     1.153221  -1.462394      2.044338  0.4203936      1.396653  174.5823 83.25880 187.1675 80.78748 -12.58514      116.0114 
1 1 1 -13 16 15 o 243.8419 69.95116 1.799200       1.294274  1.201278       2.586313  1.998967       1.494929  238.7936 106.2613 248.8902 91.00108 -10.09654      139.9023 
1 1 1 -13 16 16 o 199.7247 61.82999 0.5947848      1.201604  -0.8194262     2.260970  1.151447       1.418514  189.4187 89.52126 210.0306 85.30964 -20.61183      123.6600 
1 1 1 -13 16 17 o 161.3201 54.88707 -1.220400      1.230669  -0.9607999     2.119946  -1.352355      1.511420  177.6153 84.72713 145.0250 69.79739 32.59026       109.7741 
1 1 1 -13 17 1  o 559.5689 94.03528 10.14553       2.625891  10.58145       3.722592  9.713802       3.704616  573.9222 131.0032 545.2156 134.9396 28.70654       188.0706 
1 1 1 -13 17 2  o 272.6719 75.86737 1.701574       1.311130  1.205375       3.132603  1.806959       1.443663  285.9792 122.1664 259.3647 89.99330 26.61447       151.7347 
1 1 1 -13 17 3  o 219.1287 57.26516 1.108819       0.8561305 1.486908       1.187055  0.6989565      1.235927  237.3576 81.64690 200.8998 80.31796 36.45782       114.5303 
1 1 1 -13 17 4  o 184.7158 61.51976 -0.2399568     0.9479269 0.1526497      0.9789448 -6.142539      3.795775  162.3240 68.78195 207.1076 102.0185 -44.78358      123.0395 
1 1 1 -13 17 5  o 305.9620 68.19468 2.706574       1.171713  3.105494       1.793470  2.409507       1.547674  322.8325 99.70058 289.0915 93.06907 33.74100       136.3894 
1 1 1 -13 17 6  o 535.7729 57.20413 8.049918       1.478965  7.653884       1.910756  8.641767       2.335846  523.7130 74.13676 547.8329 87.13778 -24.12000      114.4083 
1 1 1 -13 17 7  o 373.8359 62.30550 4.166572       1.133726  3.921553       1.867772  4.309512       1.426597  358.1728 99.46245 389.4991 75.06744 -31.32632      124.6110 
1 1 1 -13 17 8  o 230.7033 68.40255 0.7249447      1.351350  0.1773850      1.822337  1.393896       2.014235  208.8174 91.18521 252.5891 101.9848 -43.77170      136.8051 
1 1 1 -13 17 9  o 212.6938 67.36966 0.6927749E-01  1.373961  -1.281721      2.836489  0.4834401      1.570504  220.1318 102.8405 205.2559 87.05465 14.87592       134.7393 
1 1 1 -13 17 10 f 360.9399 79.46809 4.089398       2.035351  -0.2719748     3.035668  7.651195       2.743325  241.0205 110.3773 480.8593 114.3572 -239.8389      158.9362 
1 1 1 -13 17 11 o 278.2566 74.94493 2.049146       1.247533  3.186581       2.752170  1.754995       1.399580  309.7076 121.0832 246.8056 88.35065 62.90198       149.8899 
1 1 1 -13 17 12 o 522.6274 85.96865 10.44962       1.594939  9.641192       4.916465  10.54470       1.686129  426.2976 163.1183 618.9572 54.35862 -192.6596      171.9373 
1 1 1 -13 17 13 o 204.7033 63.68477 0.3798980      1.119009  1.419479       2.223204  0.2716550E-01  1.295009  239.9241 102.7157 169.4824 75.31587 70.44171       127.3695 
1 1 1 -13 17 14 o 228.4754 67.73276 1.003659       1.337642  2.698660       2.122392  -0.1132994     1.722897  273.2312 106.4665 183.7196 83.76037 89.51160       135.4655 
1 1 1 -13 17 15 o 361.6215 94.29642 4.556162       1.744214  0.000000       0.000000  4.556162       1.744214  ?        ?        361.6215 94.29642 ?              ?        
1 1 1 -13 17 16 o 360.2325 63.51346 5.460921       1.436216  1.481033       2.481422  7.465781       1.761194  232.0229 103.6040 488.4421 73.49861 -256.4193      127.0269 
1 1 1 -13 18 1  o 630.8541 60.03032 8.991845       1.537580  7.407704       1.692715  16.46523       3.676593  519.0903 65.89494 742.6180 100.3614 -223.5276      120.0606 
1 1 1 -13 18 2  o 699.5446 84.84299 15.56956       2.849350  11.92034       3.970209  19.44556       4.091716  594.3104 135.0227 804.7787 102.7725 -210.4683      169.6860 
1 1 1 -13 18 3  o 260.7227 81.80698 0.4209883      2.067376  0.9128380      3.466759  0.1495412      2.575432  281.7251 124.3047 239.7203 106.3855 42.00479       163.6140 
1 1 1 -13 18 4  o 283.6851 88.92095 0.8141426      2.573606  1.857565       3.483848  -0.4392798     3.818369  300.0885 128.5300 267.2817 122.9138 32.80679       177.8419 
1 1 1 -13 18 5  o 407.0295 64.80856 4.995029       1.292069  4.756452       1.992250  5.168229       1.697469  392.4959 99.98129 421.5631 82.48840 -29.06720      129.6171 
1 1 1 -13 18 6  o 170.7599 54.53065 -0.4755653     1.018126  -1.084365      1.519225  0.2076822E-01  1.371740  160.9454 75.21473 180.5743 78.97539 -19.62886      109.0613 
1 1 1 -13 18 7  o 237.6970 68.85406 1.154077       1.119740  1.061392       2.584721  1.175491       1.242375  256.6247 110.3326 218.7693 82.40292 37.85545       137.7081 
1 1 1 -13 18 8  f 560.6116 73.64163 9.876177       1.583707  9.744040       3.585139  9.908213       1.765280  519.2048 135.0958 602.0183 58.66426 -82.81348      147.2833 
1 1 1 -13 18 9  o 783.5496 72.61073 19.63384       2.697509  16.61259       4.088021  21.96383       3.590019  703.1006 119.0966 863.9985 83.09790 -160.8979      145.2215 
1 1 1 -13 18 10 o 757.0282 86.05446 21.75818       2.905394  9.527392       4.282502  32.18844       3.954739  459.5331 155.1219 1054.523 74.55663 -594.9902      172.1089 
1 1 1 -13 18 11 o 647.4408 86.50874 14.84130       1.766217  15.17245       5.006502  14.79422       1.887580  558.9225 165.3381 735.9590 50.97424 -177.0365      173.0175 
1 1 1 -13 18 12 o 296.3980 85.40788 2.490575       1.349436  6.189276       4.584406  2.139704       1.411992  336.4854 145.7998 256.3106 88.99688 80.17480       170.8158 
1 1 1 -13 18 13 o 212.5981 65.13567 0.9283258      1.106954  1.092232       2.483191  0.8876769      1.236622  230.6732 103.2748 194.5231 79.40369 36.15018       130.2713 
1 1 1 -13 18 14 o 186.2501 59.99317 0.1023765      1.204819  -0.3485946     2.115961  0.3187312      1.465603  190.5297 88.94801 181.9705 80.52934 8.559204       119.9863 
1 1 1 -13 18 15 o 222.7693 66.90246 1.442703       1.370966  -1.270125      3.105902  2.099177       1.527867  201.2155 97.62209 244.3231 91.50783 -43.10757      133.8049 
1 1 1 -13 18 16 o 179.0135 60.12640 -0.3765587     1.386491  -0.3143971     2.464271  -0.4053513     1.677132  191.4787 91.34276 166.5483 78.21278 24.93036       120.2528 
1 1 1 -13 19 1  o 292.6637 60.05482 2.281131       0.9904001 1.154317       1.266521  4.054737       1.588967  218.2389 82.96155 367.0885 86.85452 -148.8496      120.1096 
1 1 1 -13 19 2  o 188.6833 54.67852 0.4723115      0.8565565 -0.7387973E-01 1.208778  1.023183       1.213946  167.0053 73.55854 210.3613 80.92034 -43.35596      109.3570 
1 1 1 -13 19 3  o 458.3425 101.6097 8.033292       2.623269  7.936077       3.881716  8.115014       3.558982  450.0260 147.5745 466.6590 139.7136 -16.63293      203.2194 
1 1 1 -13 19 4  o 239.5175 76.74667 0.3486184      1.539825  0.3297901      1.676759  0.4499736      3.890349  204.0995 88.30642 274.9355 125.5475 -70.83600      153.4933 
1 1 1 -13 19 5  o 338.6400 67.70256 4.253150       1.231952  0.4784030      3.376482  4.832832       1.323170  262.4356 118.7027 414.8445 65.14759 -152.4088      135.4051 
1 1 1 -13 19 6  o 248.3168 73.47646 1.287959       1.206256  1.260591       3.260405  1.292300       1.298385  272.5549 120.3887 224.0786 84.27171 48.47632       146.9529 
1 1 1 -13 19 7  o 349.0403 62.03869 4.344741       1.163374  1.816100       2.186221  5.343642       1.374079  262.4853 106.1551 435.5953 64.23617 -173.1100      124.0774 
1 1 1 -13 19 8  o 505.3015 78.99323 8.049205       1.724912  10.00378       3.575763  7.456438       1.969175  510.4540 135.9395 500.1490 80.49947 10.30505       157.9865 
1 1 1 -13 19 9  o 283.9476 76.27475 2.215241       1.777630  -0.7592578     2.648053  4.655219       2.398350  211.8984 99.11515 355.9968 115.9635 -144.0984      152.5495 
1 1 1 -13 19 10 o 357.3081 68.61993 5.294903       1.651850  -0.1934498E-04 3.272708  7.104945       1.913471  235.5340 110.1759 479.0822 81.82946 -243.5482      137.2399 
1 1 1 -13 19 11 o 286.3610 85.47004 2.264984       1.325387  6.514388       5.027242  1.947559       1.373998  327.6997 146.8133 245.0224 87.55782 82.67731       170.9401 
1 1 1 -13 19 12 o 271.8704 63.61761 2.851152       1.160419  0.3419366      2.566667  3.495820       1.300974  215.2258 99.61422 328.5150 79.15685 -113.2892      127.2352 
1 1 1 -13 19 13 o 232.5623 69.72498 0.6665601      1.189095  4.312850       2.638821  -0.2624838     1.331995  306.2714 118.8882 158.8533 72.88277 147.4180       139.4500 
1 1 1 -13 19 14 o 285.9172 76.89994 3.636543       1.711322  1.707480       2.843747  4.731774       2.142745  236.9377 107.8633 334.8967 109.6354 -97.95895      153.7999 
1 1 1 -13 19 15 o 378.3306 74.12824 7.263834       1.789125  3.945991       3.411302  8.522758       2.101320  264.8674 119.6024 491.7939 87.60851 -226.9265      148.2565 
1 1 1 -13 20 1  o 420.5948 57.56141 5.360703       1.171070  5.853557       1.577685  4.755971       1.747605  450.2065 71.61784 390.9832 90.13404 59.22327       115.1228 
1 1 1 -13 20 2  o 136.9031 44.90585 -0.6486703     0.7338912 -0.6061485     0.9606913 -0.7082597     1.137267  131.6178 60.92668 142.1884 65.98546 -10.57054      89.81170 
1 1 1 -13 20 3  o 226.8088 71.52332 0.1170178      1.064121  2.709993       3.175662  -0.2109544     1.129415  297.8666 124.9192 155.7509 69.69607 142.1156       143.0466 
1 1 1 -13 20 4  o 424.9776 71.40457 5.883173       1.480129  5.899586       1.865796  5.855306       2.431079  438.8388 87.05354 411.1164 113.2084 27.72244       142.8091 
1 1 1 -13 20 5  f 286.6551 58.55729 2.745516       1.037698  0.6487134      1.799962  3.789358       1.269994  214.2249 92.08691 359.0853 72.35902 -144.8604      117.1146 
1 1 1 -13 20 6  f 290.1431 80.78102 2.598398       1.645815  2.113441       1.991382  3.643516       2.923383  264.7390 103.1363 315.5473 124.3592 -50.80832      161.5620 
1 1 1 -13 20 7  o 236.9187 106.6546 0.6407393      2.688595  0.6407393      2.688595  0.000000       0.000000  236.9187 106.6546 ?        ?        ?              ?        
1 1 1 -13 20 8  o 181.2343 61.66718 -0.8770558     1.267742  -2.370961      3.229719  -0.6049590     1.378367  204.9171 99.44804 157.5515 72.94826 47.36563       123.3344 
1 1 1 -13 20 9  o 308.7742 83.75716 3.136143       1.989304  7.036566       3.139078  0.5184384      2.571619  393.9538 132.8092 223.5945 102.0919 170.3592       167.5143 
1 1 1 -13 20 10 o 322.1594 104.4631 3.986566       1.947171  0.000000       0.000000  3.986566       1.947171  ?        ?        322.1594 104.4631 ?              ?        
1 1 1 -13 20 11 o 294.2243 72.17680 3.720364       1.391751  0.8488309      4.320596  4.052814       1.470110  242.3202 116.9606 346.1284 84.60601 -103.8082      144.3536 
1 1 1 -13 20 12 o 252.0185 72.84555 2.192397       1.296046  3.303090       2.776476  1.882953       1.465509  270.3264 115.2344 233.7107 89.14556 36.61569       145.6911 
1 1 1 -13 20 13 o 206.6304 65.16727 0.9788097      1.287901  0.6392491      2.603620  1.088812       1.481900  212.0376 98.88080 201.2232 84.90983 10.81444       130.3345 
1 1 1 -13 20 14 o 283.1053 78.46644 4.462485       2.046734  0.4162531E-04  4.332742  5.744322       2.322164  218.0421 107.7026 348.1685 114.1406 -130.1263      156.9329 
1 1 1 -13 21 1  o 199.0716 57.38996 0.6717918      0.8900179 0.2070417      1.111565  1.501983       1.485641  166.6572 72.00306 231.4860 89.38674 -64.82875      114.7799 
1 1 1 -13 21 2  o 203.3834 56.01169 0.8511113      0.8846499 1.740635       1.265068  -0.1394245E-03 1.237553  239.9449 84.18708 166.8219 73.90382 73.12297       112.0234 
1 1 1 -13 21 3  o 251.4759 75.19485 1.226451       1.194910  3.436702       3.244967  0.8797339      1.285219  302.5697 126.5405 200.3820 81.26846 102.1877       150.3897 
1 1 1 -13 21 4  o 418.8866 76.14613 6.641788       1.597893  7.145753       1.872264  5.290310       3.065991  484.3880 79.07549 353.3851 130.1537 131.0029       152.2923 
1 1 1 -13 21 5  o 502.9501 56.07732 7.628447       1.318519  8.153268       2.227256  7.345285       1.635994  503.0792 90.78860 502.8210 65.84902 0.2581787      112.1546 
1 1 1 -13 21 6  o 465.3000 77.59264 9.032689       1.669858  6.320218       3.804285  9.680020       1.858462  353.4454 141.0464 577.1546 64.71772 -223.7092      155.1853 
1 1 1 -13 21 7  o 195.5724 66.23989 -0.3019010     1.219473  0.2818513E-03  3.583046  -0.3414901     1.296898  233.8586 111.1596 157.2862 72.07251 76.57236       132.4798 
1 1 1 -13 21 8  o 291.3326 79.12746 3.169235       1.393982  4.224065       3.812892  3.006493       1.497661  290.9947 129.2781 291.6705 91.27870 -0.6758423     158.2549 
1 1 1 -13 21 9  o 282.9148 124.7082 4.076954       3.480961  0.000000       0.000000  4.076954       3.480961  ?        ?        282.9148 124.7082 ?              ?        
1 1 1 -13 21 10 o 252.9750 115.3046 2.667598       3.262237  0.000000       0.000000  2.667598       3.262237  ?        ?        252.9750 115.3046 ?              ?        
1 1 1 -13 21 11 o 252.9690 68.94916 2.604717       1.253599  0.1532939      3.949263  2.879397       1.321967  222.4706 108.4181 283.4674 85.21422 -60.99677      137.8983 
1 1 1 -13 21 12 o 297.5749 67.37474 4.258184       1.420587  0.2877250      3.790210  4.907107       1.532284  218.5373 106.4379 376.6124 82.63414 -158.0751      134.7495 
1 1 1 -13 21 13 o 228.1202 68.79758 0.9869126      1.408686  4.850827       2.465796  -0.8851558     1.716344  299.8540 115.3326 156.3865 75.03879 143.4675       137.5952 
1 1 1 -13 22 1  o 174.9151 87.98917 -6.420863      3.521996  -6.420863      3.521996  0.000000       0.000000  174.9151 87.98917 ?        ?        ?              ?        
1 1 1 -13 22 2  o 229.8772 86.01231 1.653872       1.349213  1.653872       1.349213  0.000000       0.000000  229.8772 86.01231 ?        ?        ?              ?        
1 1 1 -13 22 3  o 262.9208 67.52510 2.574610       1.256220  0.5918785E-04  3.011770  3.116856       1.382195  221.2878 104.1982 304.5539 85.91447 -83.26608      135.0502 
1 1 1 -13 22 4  o 270.9788 65.16853 1.694629       1.229479  -0.2841747     1.537138  5.208836       2.048449  169.5843 77.98611 372.3732 104.4314 -202.7890      130.3371 
1 1 1 -13 22 5  o 465.8023 76.69731 9.261880       1.566324  7.438207       3.778933  9.640180       1.721132  356.8955 141.1563 574.7090 60.04017 -217.8135      153.3946 
1 1 1 -13 22 6  o 532.5560 91.84188 15.04174       2.703921  11.25792       4.996871  16.60846       3.215342  377.1075 157.3112 688.0046 94.83094 -310.8970      183.6838 
1 1 1 -13 22 7  o 212.4724 69.41048 0.7643415      1.696266  -2.360520      4.056087  1.426702       1.867407  206.0537 102.2119 218.8911 93.93608 -12.83733      138.8210 
1 1 1 -13 22 8  o 561.4765 61.90726 9.513699       1.730520  0.000000       0.000000  9.513699       1.730520  ?        ?        561.4765 61.90726 ?              ?        
1 1 1 -13 22 9  o 298.4404 87.44933 4.643869       1.918473  7.874747       4.908339  4.061280       2.084277  297.6927 137.7726 299.1880 107.7415 -1.495270      174.8987 
1 1 1 -13 22 10 o 358.8352 100.2774 5.206976       1.892237  0.000000       0.000000  5.206976       1.892237  ?        ?        358.8352 100.2774 ?              ?        
1 1 1 -13 22 11 o 177.0056 59.32134 0.3918903E-01  1.162505  -0.2720191     2.804983  0.1037285      1.277372  194.1764 93.85164 159.8348 72.58069 34.34154       118.6427 
1 1 1 -13 22 12 o 208.5258 69.36475 0.8937618      1.921365  3.189903       2.781361  -1.202145      2.657321  240.7157 108.4107 176.3360 86.56211 64.37971       138.7295 
1 1 1 -13 23 1  o 453.7833 55.96614 6.884895       1.213636  8.634160       1.718453  5.144204       1.714236  530.3976 65.37994 377.1689 90.85317 153.2287       111.9323 
1 1 1 -13 23 2  o 225.8255 60.93222 1.732559       0.9606856 2.088427       1.470668  1.467680       1.268803  239.2208 89.74292 212.4302 82.44485 26.79066       121.8644 
1 1 1 -13 23 3  o 241.6795 75.73823 1.726143       1.244682  4.663062       4.250286  1.450649       1.301751  271.9270 126.6513 211.4321 83.09367 60.49489       151.4765 
1 1 1 -13 23 4  o 256.1171 72.60728 2.896547       1.699450  -0.6784279     3.446868  4.044691       1.953379  205.9341 100.5630 306.3000 104.7586 -100.3660      145.2146 
1 1 1 -13 23 5  o 191.6744 61.63422 0.7216915      1.066539  -1.030886      3.313112  0.9243062      1.126505  198.6369 97.33559 184.7120 75.63657 13.92490       123.2684 
1 1 1 -13 23 6  o 263.9511 68.90423 3.123789       1.261845  0.5234789      4.548688  3.340581       1.313393  222.7850 110.1025 305.1173 82.87712 -82.33232      137.8085 
1 1 1 -13 23 7  o 313.9390 89.09734 3.750042       1.481872  0.000000       0.000000  3.750042       1.481872  ?        ?        313.9390 89.09734 ?              ?        
1 1 1 -13 23 8  o 155.6914 70.67526 0.7572153E-01  1.209877  0.000000       0.000000  0.7572153E-01  1.209877  ?        ?        155.6914 70.67526 ?              ?        
1 1 1 -13 23 9  o 190.4905 65.99746 -0.2977407     1.678543  0.9598843      3.933799  -0.5776878     1.855985  215.6957 105.7696 165.2854 78.96485 50.41034       131.9949 
1 1 1 -13 23 10 o 243.1898 76.26727 2.947885       1.663137  4.706276       4.126610  2.606877       1.817263  246.8126 117.8674 239.5670 96.81978 7.245560       152.5345 
1 1 1 -13 23 11 o 175.4059 60.04659 -0.5304235E-01 1.335336  0.6846749      3.010666  -0.2337101     1.489903  196.1752 95.39199 154.6366 72.95710 41.53862       120.0932 
1 1 1 -13 24 1  o 253.1707 63.25443 2.379769       0.9720062 3.634758       1.682239  1.750790       1.190929  288.5313 97.22364 217.8102 80.94475 70.72108       126.5089 
1 1 1 -13 24 2  o 267.0670 60.80526 2.842207       0.9324954 2.620898       1.726898  2.933297       1.107903  244.1558 95.78493 289.9781 74.92909 -45.82231      121.6105 
1 1 1 -13 24 3  o 162.0435 71.50735 0.4118072      1.147597  0.000000       0.000000  0.4118072      1.147597  ?        ?        162.0435 71.50735 ?              ?        
1 1 1 -13 24 4  o 369.8442 99.54144 5.752011       1.904958  0.000000       0.000000  5.752011       1.904958  ?        ?        369.8442 99.54144 ?              ?        
1 1 1 -13 24 5  o 153.2260 68.03770 0.2730925      1.054788  0.000000       0.000000  0.2730925      1.054788  ?        ?        153.2260 68.03770 ?              ?        
1 1 1 -13 24 6  o 157.9968 71.20882 0.2492010      1.202562  0.000000       0.000000  0.2492010      1.202562  ?        ?        157.9968 71.20882 ?              ?        
1 1 1 -13 24 7  o 318.1422 87.38056 3.958660       1.450526  0.000000       0.000000  3.958660       1.450526  ?        ?        318.1422 87.38056 ?              ?        
1 1 1 -13 24 8  o 209.8996 70.56706 1.194287       1.296070  5.459350       4.549921  0.8176468      1.352087  241.9813 117.5738 177.8179 78.07207 64.16342       141.1341 
1 1 1 -13 24 9  o 182.6277 62.08540 0.3636267      1.632847  -0.5057457     3.102926  0.6965666      1.920221  183.1482 90.59113 182.1071 84.92136 1.041107       124.1708 
1 1 1 -13 24 10 o 195.9383 64.86976 1.552589       1.509740  0.5184684      4.184861  1.707317       1.618750  192.3615 96.65668 199.5151 86.54379 -7.153610      129.7395 
1 1 1 -13 25 1  o 264.5006 63.40843 2.721497       0.9589711 4.364180       1.724776  1.986467       1.153741  305.4694 98.24025 223.5318 80.19582 81.93752       126.8169 
1 1 1 -13 25 2  o 288.0250 75.75803 3.044004       1.119489  0.000000       0.000000  3.044004       1.119489  ?        ?        288.0250 75.75803 ?              ?        
1 1 1 -13 25 3  o 223.8586 86.86383 2.151753       1.408257  0.000000       0.000000  2.151753       1.408257  ?        ?        223.8586 86.86383 ?              ?        
1 1 1 -13 25 4  f 213.5113 88.71706 1.976034       1.580374  0.000000       0.000000  1.976034       1.580374  ?        ?        213.5113 88.71706 ?              ?        
1 1 1 -13 25 5  o 168.4107 72.34912 0.7702742      1.109845  0.000000       0.000000  0.7702742      1.109845  ?        ?        168.4107 72.34912 ?              ?        
1 1 1 -13 25 6  o 207.5515 79.28222 1.710360       1.160207  0.000000       0.000000  1.710360       1.160207  ?        ?        207.5515 79.28222 ?              ?        
1 1 1 -13 25 7  o 258.9842 88.38067 3.015963       1.390313  0.000000       0.000000  3.015963       1.390313  ?        ?        258.9842 88.38067 ?              ?        
1 1 1 -13 25 8  o 207.1442 65.84530 2.054838       1.253465  3.529164       3.289350  1.804378       1.355761  212.1967 102.3305 202.0918 82.89085 10.10483       131.6906 
1 1 1 -13 26 1  o 235.2544 76.32280 2.319649       1.502298  10.72536       3.693533  0.6533890      1.644471  302.0405 130.8718 168.4683 78.57005 133.5722       152.6456 
1 1 1 -13 26 2  o 167.8515 57.68089 0.3888781      0.8175378 2.581300       3.537804  0.2651961      0.8402815 198.9121 98.08022 136.7908 60.73392 62.12128       115.3618 
1 1 1 -13 26 3  o 167.8282 59.60807 -0.1493420E-01 1.077687  3.530676       4.433208  -0.2376209     1.111015  201.8206 101.1477 133.8357 63.10013 67.98482       119.2161 
1 1 1 -13 26 4  o 122.9708 57.75776 -0.6251855     0.8973911 -9.343250      4.566731  -0.2750185     0.9152358 ?        ?        122.9708 57.75776 ?              ?        
1 1 1 -13 26 5  o 199.6058 62.61409 1.911756       1.105718  2.899838       3.688315  1.814184       1.159027  196.1475 97.32676 203.0641 78.80102 -6.916580      125.2282 
1 1 1 -13 26 6  o 185.2605 77.18106 1.041325       1.142439  -3.137751      3.715830  1.477598       1.200591  ?        ?        185.2605 77.18106 ?              ?        
1 1 1 -13 27 1  o 200.6642 73.08418 1.473971       0.9316191 -3.413799      3.686395  1.807433       0.9628741 ?        ?        200.6642 73.08418 ?              ?        
1 1 1 -13 27 2  o 171.6319 69.23640 0.8673212      0.8997282 -4.892496      3.707382  1.227783       0.9274545 ?        ?        171.6319 69.23640 ?              ?        
1 1 1 -13 27 3  o 190.6079 82.13011 1.708780       1.357537  -1.138951      4.106235  2.058228       1.438420  ?        ?        190.6079 82.13011 ?              ?        
1 1 1 -12 0  1  o 815.1654 42.87090 17.14257       2.470295  17.14257       2.470295  17.14257       2.470295  815.1654 60.62860 815.1654 60.62860 -0.000000      0.000000 
1 1 1 -12 0  2  o 1359.282 38.37686 47.09449       3.721361  47.09449       3.721361  47.09449       3.721361  1359.282 54.27308 1359.282 54.27308 0.000000       0.000000 
1 1 1 -12 0  3  o 313.6478 74.27294 3.220433       1.488162  3.220433       1.488162  3.220433       1.488162  313.6478 105.0378 313.6478 105.0378 -0.000000      0.000000 
1 1 1 -12 0  4  o 3266.025 58.02842 271.8905       13.54998  271.8905       13.54998  271.8905       13.54998  3266.025 82.06458 3266.025 82.06458 -0.000000      0.000000 
1 1 1 -12 0  5  o 507.4424 45.58667 6.846870       1.583369  6.846870       1.583369  6.846870       1.583369  507.4424 64.46929 507.4424 64.46929 0.000000       0.000000 
1 1 1 -12 0  6  o 924.6038 35.41257 21.87727       2.328576  21.87727       2.328576  21.87727       2.328576  924.6038 50.08094 924.6038 50.08094 -0.000000      0.000000 
1 1 1 -12 0  7  o 1374.469 37.28912 48.17092       3.657309  48.17092       3.657309  48.17092       3.657309  1374.469 52.73477 1374.469 52.73477 0.000000       0.000000 
1 1 1 -12 0  8  o 249.6368 88.05856 2.365170       1.915040  2.365170       1.915040  2.365170       1.915040  249.6368 124.5336 249.6368 124.5336 -0.000000      0.000000 
1 1 1 -12 0  9  o 758.2018 53.20673 15.09900       2.823082  15.09900       2.823082  15.09900       2.823082  758.2018 75.24568 758.2018 75.24568 -0.000000      0.000000 
1 1 1 -12 0  10 o 1701.229 39.99098 73.92626       4.858861  73.92626       4.858861  73.92626       4.858861  1701.229 56.55579 1701.229 56.55579 0.000000       0.000000 
1 1 1 -12 0  11 o 156.9272 64.91537 0.7598464      1.218816  0.7598464      1.218816  0.7598464      1.218816  156.9272 91.80419 156.9272 91.80419 0.000000       0.000000 
1 1 1 -12 0  12 o 834.4343 38.96157 17.99681       2.304414  17.99681       2.304414  17.99681       2.304414  834.4343 55.09998 834.4343 55.09998 0.000000       0.000000 
1 1 1 -12 0  13 o 1949.423 61.63549 99.42770       8.563565  99.42770       8.563565  99.42770       8.563565  1949.423 87.16575 1949.423 87.16575 -0.000000      0.000000 
1 1 1 -12 0  14 o 151.0293 65.66927 0.5347801      1.376859  0.5347801      1.376859  0.5347801      1.376859  151.0293 92.87037 151.0293 92.87037 -0.000000      0.000000 
1 1 1 -12 0  15 o 1252.641 55.32394 41.67774       4.917425  41.67774       4.917425  41.67774       4.917425  1252.641 78.23986 1252.641 78.23986 -0.000000      0.000000 
1 1 1 -12 0  16 o 158.2782 75.82082 -0.8276458     2.554131  -0.8276458     2.554131  -0.8276458     2.554131  158.2782 107.2268 158.2782 107.2268 0.000000       0.000000 
1 1 1 -12 0  17 o 857.6790 37.46389 19.32689       2.280458  19.32689       2.280458  19.32689       2.280458  857.6790 52.98194 857.6790 52.98194 -0.000000      0.000000 
1 1 1 -12 0  18 o 139.9360 66.66174 -0.4120134     1.921998  -0.4120134     1.921998  -0.4120134     1.921998  139.9360 94.27393 139.9360 94.27393 0.000000       0.000000 
1 1 1 -12 0  19 o 133.4750 65.68726 -1.240156      2.240659  -1.240156      2.240659  -1.240156      2.240659  133.4750 92.89581 133.4750 92.89581 0.000000       0.000000 
1 1 1 -12 0  20 o 188.4422 82.69662 1.602225       2.232677  1.602225       2.232677  1.602225       2.232677  188.4422 116.9507 188.4422 116.9507 -0.000000      0.000000 
1 1 1 -12 0  21 o 820.5605 59.38687 20.43504       3.405236  20.43504       3.405236  20.43504       3.405236  820.5605 83.98572 820.5605 83.98572 0.000000       0.000000 
1 1 1 -12 1  1  o 758.8738 49.47993 14.82101       1.823453  14.71646       2.947351  14.88584       2.320958  755.2590 78.21555 762.4885 60.62492 -7.229431      98.95985 
1 1 1 -12 1  2  o 887.9672 38.45597 20.13856       1.716176  18.47158       2.417352  21.83253       2.436844  850.4719 56.46406 925.4625 52.22313 -74.99054      76.91193 
1 1 1 -12 1  3  o 876.8239 37.28483 19.60650       1.646834  19.63452       2.362427  19.58002       2.296906  877.3466 53.44152 876.3012 52.00613 1.045349       74.56966 
1 1 1 -12 1  4  o 3709.884 64.05497 352.4302       12.03059  349.6340       17.01018  355.2289       17.01748  3695.000 90.93076 3724.769 90.24275 -29.76978      128.1099 
1 1 1 -12 1  5  o 2866.316 52.57498 209.6514       7.629227  211.0417       10.79328  208.2630       10.78543  2875.882 74.13084 2856.750 74.57301 19.13135       105.1500 
1 1 1 -12 1  6  o 2160.787 43.99123 118.9210       4.812126  117.3379       6.799104  120.5099       6.811662  2146.301 62.57162 2175.273 61.85228 -28.97192      87.98245 
1 1 1 -12 1  7  o 1228.752 35.79077 38.39736       2.226133  37.45386       3.130762  39.36221       3.165987  1213.446 50.96194 1244.057 50.26726 -30.61108      71.58154 
1 1 1 -12 1  8  o 1542.320 55.10062 61.10975       4.294149  60.21115       6.093913  61.99603       6.051991  1529.807 78.95130 1554.834 76.88305 -25.02734      110.2012 
1 1 1 -12 1  9  o 1550.079 46.97978 61.55254       3.464298  61.41846       6.029059  61.61862       4.232835  1545.791 77.03981 1554.366 53.78910 -8.575806      93.95956 
1 1 1 -12 1  10 o 511.0476 53.03574 7.050220       1.278711  7.765335       1.656673  5.996299       2.011188  547.6398 60.77789 474.4554 86.93221 73.18439       106.0715 
1 1 1 -12 1  11 o 541.1891 42.64494 7.592167       1.148224  7.677052       1.647123  7.511919       1.601506  544.0557 60.84143 538.3225 59.77192 5.733154       85.28987 
1 1 1 -12 1  12 o 596.8047 42.86914 9.318970       1.254539  7.489702       1.767267  11.17717       1.781187  535.1703 66.67268 658.4391 53.90555 -123.2688      85.73829 
1 1 1 -12 1  13 o 952.8171 37.50281 23.32519       1.798705  21.57377       2.473065  25.29222       2.620871  914.6538 53.64126 990.9805 52.42574 -76.32672      75.00562 
1 1 1 -12 1  14 o 1017.583 38.41560 26.81054       1.971302  25.95633       2.773728  27.68236       2.802173  1000.901 54.94829 1034.265 53.70028 -33.36377      76.83121 
1 1 1 -12 1  15 o 223.9560 65.58476 0.1273242      1.296040  1.539917       1.863277  -1.196701      1.803919  265.7561 100.7215 182.1559 84.02750 83.60022       131.1695 
1 1 1 -12 1  16 o 353.1077 83.14043 3.377578       1.888829  1.287430       2.726301  5.306917       2.619326  284.1544 117.1625 422.0610 117.9927 -137.9066      166.2809 
1 1 1 -12 1  17 o 841.2562 39.87013 18.46363       1.677866  20.33366       2.552037  17.03988       2.226799  877.7377 57.75250 804.7747 54.98325 72.96301       79.74026 
1 1 1 -12 1  18 o 563.3528 49.98832 8.686646       1.391769  9.374377       2.027082  8.073330       1.914275  585.1636 69.80187 541.5420 71.57532 43.62158       99.97663 
1 1 1 -12 1  19 o 312.5453 72.03002 2.852952       1.370301  4.259376       2.016828  1.647001       1.867564  368.1399 103.7555 256.9508 99.94042 111.1891       144.0600 
1 1 1 -12 1  20 o 215.4479 67.77792 0.1233639E-01  1.499633  0.5966781      2.121371  -0.5713785     2.120233  229.0096 99.20511 201.8862 92.37820 27.12341       135.5558 
1 1 1 -12 1  21 o 627.7372 79.46768 13.16942       2.405895  14.22386       3.261582  11.91086       3.563301  673.1268 98.63411 582.3475 124.6265 90.77930       158.9354 
1 1 1 -12 2  1  o 1450.553 46.71604 50.79194       3.239359  45.71479       3.898693  62.11213       5.821509  1340.703 57.43845 1560.404 73.69109 -219.7002      93.43208 
1 1 1 -12 2  2  o 348.9911 69.96704 2.860601       1.242413  2.125489       1.504358  4.437683       2.203440  290.0547 91.58749 407.9274 105.7983 -117.8727      139.9341 
1 1 1 -12 2  3  o 504.8167 63.10254 6.682622       1.420556  6.738223       2.630988  6.659743       1.687706  502.7040 106.6790 506.9293 67.43368 -4.225220      126.2051 
1 1 1 -12 2  4  o 1574.961 48.43546 63.18640       3.614545  63.58633       6.326920  62.99263       4.403986  1575.854 79.56078 1574.069 55.26352 1.784424       96.87091 
1 1 1 -12 2  5  o 244.4433 56.12015 1.393728       0.8887513 2.304532       1.150318  0.4485288E-01  1.399881  294.9785 76.41289 193.9082 82.21287 101.0704       112.2403 
1 1 1 -12 2  6  o 1790.170 40.48884 81.56782       3.668698  83.70177       5.193630  79.44257       5.183030  1813.658 56.56294 1766.682 57.94841 46.97534       80.97768 
1 1 1 -12 2  7  o 998.6165 43.71410 25.16773       2.074021  24.47776       2.526780  26.59255       3.631036  979.5818 51.12715 1017.651 70.92042 -38.06934      87.42821 
1 1 1 -12 2  8  o 862.0357 53.17372 19.34543       2.266202  16.01931       3.211169  22.64567       3.198656  785.4801 81.95734 938.5913 67.76998 -153.1112      106.3474 
1 1 1 -12 2  9  o 445.4117 55.92198 5.138710       1.166718  5.631129       1.985591  4.879039       1.441894  459.5439 88.55656 431.2794 68.31402 28.26440       111.8440 
1 1 1 -12 2  10 o 1664.551 49.32222 71.93072       3.908065  73.52745       4.805779  68.81319       6.715090  1696.379 55.95736 1632.724 81.23730 63.65503       98.64443 
1 1 1 -12 2  11 o 616.6993 40.45146 9.715298       1.241802  11.03294       1.867712  8.671308       1.662494  654.1469 56.96497 579.2518 57.44801 74.89514       80.90292 
1 1 1 -12 2  12 o 239.6524 60.25783 1.183852       0.9599351 0.4394803      1.333935  1.983379       1.382472  202.3343 82.51640 276.9706 87.83546 -74.63632      120.5157 
1 1 1 -12 2  13 o 706.1521 42.74822 12.94589       1.506060  11.37668       2.086699  14.65210       2.175881  660.3904 63.18427 751.9139 57.59679 -91.52350      85.49644 
1 1 1 -12 2  14 o 201.0192 56.87523 0.3341545      0.9555779 -0.8489541     1.429305  1.290382       1.284971  166.3306 76.01004 235.7077 84.62649 -69.37717      113.7505 
1 1 1 -12 2  15 o 398.4653 74.09388 4.555389       1.522815  3.966675       2.162976  5.133989       2.144316  372.3331 108.2610 424.5974 101.1888 -52.26431      148.1878 
1 1 1 -12 2  16 o 559.9625 71.48335 8.985599       1.927769  8.596892       2.944253  9.277288       2.550500  542.9199 110.8654 577.0051 90.26810 -34.08521      142.9667 
1 1 1 -12 2  17 o 239.1685 66.93029 0.8153731      1.267241  2.051674       1.837871  -0.3051254     1.749680  280.8867 101.1704 197.4503 87.65395 83.43649       133.8606 
1 1 1 -12 2  18 o 593.7368 59.13276 9.703225       1.702421  11.56420       2.708875  8.488397       2.188649  638.4247 85.99784 549.0490 81.18562 89.37573       118.2655 
1 1 1 -12 2  19 f 338.6122 74.24279 3.667224       1.447827  2.696392       2.211020  4.396009       1.915668  300.6220 110.5560 376.6024 99.12282 -75.98032      148.4856 
1 1 1 -12 2  20 o 232.4680 69.96315 0.8350683      1.432585  0.8138638      1.896741  0.8632292      2.185838  226.9433 95.92870 237.9928 101.8678 -11.04956      139.9263 
1 1 1 -12 2  21 o 408.1408 89.71403 6.143646       2.160221  4.037109       2.983299  8.465652       3.132161  333.3302 127.1792 482.9514 126.5697 -149.6212      179.4281 
1 1 1 -12 3  1  o 1607.777 39.45592 65.73595       3.210317  68.09133       4.552094  63.40530       4.528149  1636.543 54.94147 1579.011 56.64375 57.53198       78.91185 
1 1 1 -12 3  2  o 747.5698 38.97774 14.29549       1.463340  14.59426       2.038855  13.97808       2.101518  755.8683 53.62716 739.2713 56.57901 16.59705       77.95547 
1 1 1 -12 3  3  o 1617.739 39.97289 66.51986       3.273071  68.22357       4.687942  64.89947       4.571882  1637.939 56.53284 1597.538 56.52755 40.40076       79.94577 
1 1 1 -12 3  4  o 534.5185 56.41054 7.204193       1.402038  6.718354       1.702789  8.226938       2.470577  509.0826 67.74998 559.9544 90.21383 -50.87183      112.8211 
1 1 1 -12 3  5  o 2096.413 53.51109 111.4716       5.334394  110.0346       6.491747  114.4593       9.360354  2078.828 61.68213 2113.998 87.45890 -35.17017      107.0222 
1 1 1 -12 3  6  o 686.0750 49.85250 12.37952       1.550377  11.54053       2.792844  12.75322       1.863957  665.9497 84.75726 706.2003 52.50994 -40.25055      99.70499 
1 1 1 -12 3  7  o 1494.927 54.57596 57.39145       4.116120  57.62585       5.862550  57.16357       5.780466  1497.836 77.57645 1492.018 76.78564 5.817383       109.1519 
1 1 1 -12 3  8  o 641.9237 38.76923 10.57971       1.247849  10.54331       1.758933  10.61659       1.770576  640.8185 54.74162 643.0290 54.91418 -2.210510      77.53846 
1 1 1 -12 3  9  o 1168.191 51.23014 34.79304       3.029865  0.000000       0.000000  34.79304       3.029865  ?        ?        1168.191 51.23014 ?              ?        
1 1 1 -12 3  10 o 1563.300 47.46484 62.72913       3.567029  62.74917       4.404909  62.69094       6.079541  1567.035 55.52321 1559.564 76.99881 7.471558       94.92968 
1 1 1 -12 3  11 o 876.0355 36.69549 19.68813       1.618419  19.47375       2.336058  19.88599       2.244279  871.1409 53.22308 880.9301 50.53257 -9.789246      73.39098 
1 1 1 -12 3  12 o 858.2279 47.62638 19.55634       1.939052  17.68458       3.229872  20.61113       2.424610  821.3157 78.63814 895.1401 53.75064 -73.82434      95.25276 
1 1 1 -12 3  13 o 684.3022 41.54551 12.18487       1.423133  12.79144       2.000604  11.56351       2.024843  702.2703 56.75458 666.3341 60.68802 35.93622       83.09102 
1 1 1 -12 3  14 o 886.9805 38.72363 20.62290       1.700398  19.12711       2.597706  21.74428       2.249217  856.1387 60.31811 917.8223 48.57781 -61.68359      77.44726 
1 1 1 -12 3  15 o 540.4211 70.16153 8.342444       1.828471  9.417251       2.482819  7.068677       2.702870  586.2301 86.23177 494.6122 110.7007 91.61795       140.3231 
1 1 1 -12 3  16 o 458.0507 84.49240 7.320904       2.157270  2.151720       4.181166  9.196160       2.518354  341.7164 143.3248 574.3850 89.52014 -232.6686      168.9848 
1 1 1 -12 3  17 o 488.9554 59.27288 6.594948       1.359439  7.077508       2.290694  6.332590       1.689033  496.6032 94.56547 481.3075 71.48755 15.29572       118.5458 
1 1 1 -12 3  18 o 253.6317 68.48253 1.059586       1.258402  2.896243       2.058365  -0.3659504E-01 1.590192  313.7347 107.5358 193.5287 84.82618 120.2060       136.9651 
1 1 1 -12 3  19 o 185.0734 60.00775 -0.8123498     1.287445  -1.462968      1.815636  -0.1543884     1.825852  170.7684 80.55904 199.3783 88.96045 -28.60985      120.0155 
1 1 1 -12 3  20 o 321.8812 71.03340 3.141618       1.501746  5.361002       2.068399  0.6674930      2.183881  411.3332 100.2411 232.4291 100.6713 178.9041       142.0668 
1 1 1 -12 3  21 o 294.1929 85.98923 2.404356       1.995794  1.537350       2.464106  4.057812       3.402866  257.8878 109.1919 330.4980 132.8673 -72.61020      171.9785 
1 1 1 -12 4  1  o 1735.760 40.89037 76.64147       3.592886  75.10533       5.069421  78.19186       5.092877  1718.218 58.27689 1753.302 57.37500 -35.08411      81.78073 
1 1 1 -12 4  2  o 2420.147 47.25447 149.3215       5.785138  156.0372       8.173883  142.5809       8.188978  2475.073 65.23140 2365.220 68.38715 109.8535       94.50893 
1 1 1 -12 4  3  o 1301.013 38.15985 43.05624       2.506237  47.33611       3.577137  38.92975       3.512456  1364.776 51.77148 1237.250 56.07504 127.5254       76.31969 
1 1 1 -12 4  4  o 679.0414 53.20367 12.12157       1.621495  11.40646       2.961037  12.42787       1.937887  661.1930 90.85831 696.8897 55.38309 -35.69672      106.4073 
1 1 1 -12 4  5  o 208.3554 55.73281 0.5885875      0.8312216 -0.2044004E-01 1.089710  1.436046       1.285439  169.0824 72.13708 247.6283 84.97546 -78.54587      111.4656 
1 1 1 -12 4  6  o 707.7693 44.77278 12.25291       1.519118  10.89995       1.854450  15.01288       2.648649  651.8414 56.76048 763.6973 69.25788 -111.8559      89.54556 
1 1 1 -12 4  7  o 390.5294 69.94929 4.016040       1.332204  4.016040       1.332204  0.000000       0.000000  390.5294 69.94929 ?        ?        ?              ?        
1 1 1 -12 4  8  o 1194.764 73.57364 36.75507       4.428645  0.000000       0.000000  36.75507       4.428645  ?        ?        1194.764 73.57364 ?              ?        
1 1 1 -12 4  9  o 499.3824 58.12544 6.457173       1.442052  0.000000       0.000000  6.457173       1.442052  ?        ?        499.3824 58.12544 ?              ?        
1 1 1 -12 4  10 o 953.2568 45.13702 23.38478       2.067158  23.34514       2.568590  23.45763       3.482590  954.5457 53.36507 951.9680 72.81188 2.577759       90.27403 
1 1 1 -12 4  11 o 1652.552 48.66437 69.78601       3.836231  72.05066       6.692586  68.67781       4.681693  1667.673 79.26828 1637.431 56.47499 30.24194       97.32874 
1 1 1 -12 4  12 o 352.3051 56.00997 3.430565       0.9827060 2.507611       1.443334  4.228154       1.341734  305.6152 88.31361 398.9950 68.91425 -93.37979      112.0199 
1 1 1 -12 4  13 o 444.5739 56.97227 5.457812       1.217748  4.198685       1.772651  6.583034       1.675743  390.3047 91.32930 498.8431 68.13457 -108.5385      113.9445 
1 1 1 -12 4  14 f 317.5007 58.58265 2.604651       1.022085  4.383349       1.540196  1.204978       1.366276  400.7112 78.72905 234.2902 86.77238 166.4211       117.1653 
1 1 1 -12 4  15 o 907.0084 56.81885 22.29049       2.560174  23.36508       3.472875  21.01134       3.789011  935.4147 73.93597 878.6021 86.29601 56.81262       113.6377 
1 1 1 -12 4  16 o 283.8615 85.68623 1.132305       1.918573  -0.8315356     4.404305  1.592237       2.131431  294.6379 134.1711 273.0851 106.6144 21.55276       171.3725 
1 1 1 -12 4  17 o 260.9318 72.97184 1.212485       1.368514  2.292013       2.362370  0.6672338      1.678918  299.7179 113.4553 222.1456 91.80115 77.57234       145.9437 
1 1 1 -12 4  18 o 296.0854 69.57507 2.496515       1.334828  0.8885753      2.030094  3.721114       1.771651  240.1469 100.2314 352.0238 96.52164 -111.8769      139.1501 
1 1 1 -12 4  19 o 460.1245 70.58658 6.462676       1.584340  7.359155       2.439684  5.808889       2.083442  485.8904 102.4064 434.3586 97.17401 51.53180       141.1732 
1 1 1 -12 4  20 o 333.9495 72.41122 3.289474       1.535447  5.995023       2.252618  0.9415501      2.098466  431.3954 104.2912 236.5036 100.4833 194.8918       144.8224 
1 1 1 -12 4  21 f 407.4128 78.51805 5.800014       1.774753  8.046655       2.529610  3.622126       2.490604  494.6541 104.2962 320.1714 117.3995 174.4828       157.0361 
1 1 1 -12 5  1  o 1422.479 47.98056 51.18111       3.239456  50.28473       3.941033  53.04837       5.688103  1406.136 55.36040 1438.823 78.38215 -32.68689      95.96111 
1 1 1 -12 5  2  o 696.0818 41.80959 12.39186       1.457708  13.19292       2.114903  11.66688       2.011968  717.6789 58.72140 674.4847 59.53121 43.19415       83.61918 
1 1 1 -12 5  3  o 1494.195 38.52602 56.69923       2.908506  61.93613       4.192252  51.83929       4.038549  1560.804 53.05367 1427.587 55.87777 133.2168       77.05204 
1 1 1 -12 5  4  o 1205.908 36.67033 36.97352       2.238573  37.10313       3.147354  36.84081       3.184617  1208.088 51.45925 1203.729 52.25703 4.358521       73.34065 
1 1 1 -12 5  5  o 643.3049 40.43114 10.58237       1.300695  10.02001       1.775767  11.23332       1.910540  624.8506 56.75299 661.7591 57.60042 -36.90845      80.86229 
1 1 1 -12 5  6  o 2681.310 61.59998 184.2261       7.894844  183.1226       9.676394  186.4233       13.65391  2675.943 71.42545 2686.677 100.3825 -10.73364      123.2000 
1 1 1 -12 5  7  o 1907.473 41.92785 92.85854       4.048173  95.17816       5.735286  90.55550       5.714731  1931.380 58.65484 1883.567 59.92819 47.81287       83.85570 
1 1 1 -12 5  8  o 1020.929 42.98835 26.47425       2.095708  27.41905       3.623213  25.99924       2.569072  1031.803 69.77073 1010.054 50.23981 21.74890       85.97670 
1 1 1 -12 5  9  o 751.3275 53.68151 14.74163       2.000740  13.92982       2.940556  15.44139       2.730099  730.4728 80.87051 772.1821 70.61712 -41.70935      107.3630 
1 1 1 -12 5  10 o 1781.401 49.69775 81.38496       4.235147  80.80547       5.194087  82.53448       7.315498  1776.712 57.74422 1786.089 80.90160 -9.377197      99.39549 
1 1 1 -12 5  11 o 776.7008 48.63267 16.02643       1.716957  14.77648       3.090791  16.58430       2.064862  749.7001 82.81524 803.7015 51.01160 -54.00146      97.26534 
1 1 1 -12 5  12 o 434.1232 57.67678 4.972108       1.154482  5.362657       2.034350  4.786584       1.402131  443.0533 93.62720 425.1931 67.38241 17.86014       115.3536 
1 1 1 -12 5  13 o 663.9279 41.01455 11.48517       1.357519  11.41889       2.020434  11.53972       1.832884  661.1766 61.04860 666.6790 54.78907 -5.502380      82.02911 
1 1 1 -12 5  14 o 778.9172 40.17086 16.04800       1.532036  14.70520       2.390336  16.98417       1.995878  747.7628 63.74984 810.0717 48.89531 -62.30890      80.34173 
1 1 1 -12 5  15 o 253.4290 66.39780 0.9520789      1.390625  2.831768       1.728665  -2.495248      2.341042  317.9817 97.82985 188.8764 89.79975 129.1053       132.7956 
1 1 1 -12 5  16 o 836.1098 63.76337 18.58386       2.678746  0.000000       0.000000  18.58386       2.678746  ?        ?        836.1098 63.76337 ?              ?        
1 1 1 -12 5  17 o 441.1121 63.70303 5.364098       1.324967  6.489603       2.260525  4.775066       1.635327  471.1242 97.96807 411.0999 81.45281 60.02429       127.4061 
1 1 1 -12 5  18 o 254.3698 72.00171 1.350621       1.360680  1.836317       2.264937  1.076337       1.702061  275.3738 109.1643 233.3659 93.91560 42.00787       144.0034 
1 1 1 -12 5  19 o 358.1272 69.68626 3.874080       1.295646  5.103173       2.051981  3.059176       1.670838  402.1712 100.9384 314.0832 96.10480 88.08795       139.3725 
1 1 1 -12 5  20 o 262.7796 72.20367 1.905785       1.378458  1.751447       1.940446  2.063015       1.958547  257.0309 101.3114 268.5283 102.9052 -11.49734      144.4073 
1 1 1 -12 5  21 o 235.9462 72.92368 0.7660026      1.706677  -0.5560523     2.616624  1.744862       2.251525  215.2624 99.96354 256.6299 106.2014 -41.36754      145.8474 
1 1 1 -12 6  1  o 993.0352 44.97815 24.21283       2.153930  21.96419       2.637062  28.71988       3.733415  927.4009 56.43384 1058.669 70.05253 -131.2685      89.95630 
1 1 1 -12 6  2  o 1817.260 53.01840 84.69430       4.537932  85.27768       5.502078  83.45323       8.025024  1830.172 59.38151 1804.349 87.85010 25.82324       106.0368 
1 1 1 -12 6  3  o 1513.734 38.41044 58.31318       2.942248  60.19767       4.153139  56.41440       4.168839  1538.432 53.32301 1489.036 55.30013 49.39502       76.82088 
1 1 1 -12 6  4  o 1665.180 48.51746 70.21989       3.830196  69.20270       4.646214  72.37729       6.766506  1648.878 55.65791 1681.481 79.48568 -32.60242      97.03493 
1 1 1 -12 6  5  o 958.9684 43.66615 23.74738       2.005951  24.22146       2.496865  22.88438       3.368764  974.4084 50.78981 943.5285 71.04455 30.87988       87.33231 
1 1 1 -12 6  6  o 1435.981 45.93239 51.94286       3.166823  50.22770       3.883530  55.34692       5.471096  1403.967 54.63690 1467.995 73.85084 -64.02771      91.86478 
1 1 1 -12 6  7  o 1901.607 41.87341 92.35265       4.030924  93.94234       5.710593  90.77407       5.690634  1918.032 58.80872 1885.182 59.62436 32.84985       83.74682 
1 1 1 -12 6  8  o 1658.295 56.70955 71.07269       4.742828  75.93976       6.701498  66.18851       6.713263  1717.442 77.07368 1599.147 83.20780 118.2949       113.4191 
1 1 1 -12 6  9  o 1854.491 51.03767 88.33740       4.489079  88.96929       7.872044  88.03290       5.464709  1854.101 83.86304 1854.882 58.19250 -0.7818604     102.0753 
1 1 1 -12 6  10 o 1072.529 45.45450 29.77871       2.327012  30.13176       2.874938  29.10798       3.962623  1085.684 52.30477 1059.374 74.35493 26.31018       90.90900 
1 1 1 -12 6  11 o 813.4158 38.05318 17.11480       1.549378  15.49805       2.227905  18.62909       2.156158  775.0079 57.18546 851.8238 50.21953 -76.81592      76.10635 
1 1 1 -12 6  12 o 567.8749 56.77690 8.598976       1.536022  8.611770       1.950437  8.578087       2.492407  572.1681 68.70639 563.5817 90.40961 8.586365       113.5538 
1 1 1 -12 6  13 o 628.7618 53.02030 8.970408       1.521580  6.362457       1.790776  15.74188       2.885579  486.9554 75.04992 770.5682 74.91407 -283.6128      106.0406 
1 1 1 -12 6  14 o 953.1910 47.79200 23.67183       2.202871  25.16085       3.697947  22.85280       2.742598  971.1699 75.81181 935.2120 58.21400 35.95789       95.58400 
1 1 1 -12 6  15 f 334.8114 62.61502 3.387619       1.187283  1.231276       1.918075  4.727053       1.511706  254.2509 100.5634 415.3718 74.62956 -161.1209      125.2300 
1 1 1 -12 6  16 o 378.0455 106.6952 4.232750       2.131195  0.000000       0.000000  4.232750       2.131195  ?        ?        378.0455 106.6952 ?              ?        
1 1 1 -12 6  17 o 688.8132 57.16797 14.34690       1.703129  9.966173       2.881327  16.69942       2.111481  582.1437 101.4518 795.4828 52.72807 -213.3391      114.3359 
1 1 1 -12 6  18 o 224.5732 65.19418 0.8217335      1.224070  -0.1870822     1.964391  1.462092       1.565070  206.3431 92.15591 242.8032 92.24106 -36.46011      130.3884 
1 1 1 -12 6  19 o 289.8637 74.71894 2.355938       1.355429  3.430782       2.371655  1.834576       1.651765  323.2132 115.0837 256.5142 95.32796 66.69907       149.4379 
1 1 1 -12 6  20 o 297.6562 75.27777 2.519197       1.428708  4.271216       2.361513  1.507686       1.794345  351.1378 115.1031 244.1746 97.04767 106.9632       150.5555 
1 1 1 -12 6  21 o 356.8933 84.73501 4.867655       1.820484  5.178520       2.406926  4.452084       2.782916  375.5204 115.4219 338.2662 124.0881 37.25412       169.4700 
1 1 1 -12 7  1  o 1294.735 47.25779 42.89787       2.853860  42.97196       3.437887  42.73365       5.118258  1299.712 52.24695 1289.758 78.76200 9.953369       94.51559 
1 1 1 -12 7  2  o 1678.336 49.46476 70.07066       3.930544  66.87725       4.729678  77.19936       7.066594  1620.513 57.64948 1736.160 80.39642 -115.6471      98.92951 
1 1 1 -12 7  3  o 553.1033 43.08846 7.896411       1.181571  7.825201       1.745580  7.956631       1.605219  550.2706 63.84489 555.9359 57.88169 -5.665222      86.17691 
1 1 1 -12 7  4  o 1452.022 46.95556 55.26977       3.224994  58.11121       3.985769  49.88260       5.488105  1510.984 52.10369 1393.060 78.13132 117.9241       93.91112 
1 1 1 -12 7  5  o 1762.607 49.35281 80.29934       4.157289  82.02650       5.130154  76.99561       7.095225  1793.755 56.49157 1731.459 80.94135 62.29639       98.70561 
1 1 1 -12 7  6  o 985.1356 47.64584 24.16108       2.105445  23.24755       2.451621  26.72809       4.109666  953.9107 50.94905 1016.360 80.52763 -62.44977      95.29169 
1 1 1 -12 7  7  o 1168.397 44.22577 35.19963       2.472131  34.35205       4.198518  35.64943       3.058541  1154.381 72.20236 1182.413 51.09300 -28.03210      88.45155 
1 1 1 -12 7  8  o 1506.867 46.63906 57.66663       3.360526  60.05208       5.848984  56.49113       4.105861  1526.716 75.67258 1487.017 54.53868 39.69873       93.27811 
1 1 1 -12 7  9  o 1517.000 49.96950 61.05093       3.513609  54.77811       6.184899  64.04005       4.269461  1451.113 84.55391 1582.886 53.27700 -131.7731      99.93900 
1 1 1 -12 7  10 o 243.6464 62.60379 0.9238387      0.9766018 0.2858320      1.181286  2.301513       1.735864  186.6199 77.05248 300.6729 98.69069 -114.0530      125.2076 
1 1 1 -12 7  11 o 650.5620 41.17682 11.00368       1.312227  10.79039       2.068225  11.14739       1.697693  643.5706 64.33938 657.5533 51.40591 -13.98279      82.35365 
1 1 1 -12 7  12 o 181.1052 55.83203 -0.1614691     0.9553925 -0.4422316     1.495586  0.3208986E-01  1.241791  182.2477 80.96597 179.9628 76.89846 2.284866       111.6641 
1 1 1 -12 7  13 o 331.6612 60.76491 2.975742       1.010832  3.438522       1.618357  2.679704       1.294376  351.3597 90.44344 311.9626 81.17562 39.39716       121.5298 
1 1 1 -12 7  14 o 463.4482 62.70423 5.928895       1.413026  4.807195       1.917180  7.262858       2.090721  412.4049 93.92488 514.4914 83.09873 -102.0865      125.4085 
1 1 1 -12 7  15 o 314.8781 78.37458 2.252286       1.480339  1.402863       1.778709  4.166545       2.670195  254.7307 97.96007 375.0255 122.3688 -120.2948      156.7492 
1 1 1 -12 7  16 o 534.2079 63.65350 7.860628       1.599259  8.974464       2.709788  7.265312       1.981064  556.5665 99.83706 511.8495 78.99136 44.71701       127.3070 
1 1 1 -12 7  17 o 361.5565 68.03145 3.802215       1.217069  4.200524       2.105260  3.602274       1.491579  370.4653 106.5448 352.6478 84.62459 17.81754       136.0629 
1 1 1 -12 7  18 o 441.1286 65.86537 5.865552       1.462224  8.879554       2.163159  3.329606       1.984206  556.6971 78.96452 325.5601 105.4400 231.1370       131.7307 
1 1 1 -12 7  19 o 335.3237 79.03815 3.728135       1.554302  3.976442       2.437225  3.557920       2.017901  341.0270 117.0090 329.6203 106.2874 11.40671       158.0763 
1 1 1 -12 7  20 o 192.1648 62.37174 -0.5421784     1.382124  -0.4019974     1.956882  -0.6817128     1.952364  195.1973 89.09934 189.1322 87.30547 6.065079       124.7435 
1 1 1 -12 8  1  o 2143.310 52.05405 117.3733       5.365601  116.8666       6.620438  118.3431       9.159540  2140.322 61.09758 2146.299 84.29462 -5.977295      104.1081 
1 1 1 -12 8  2  o 1409.723 51.17132 50.58425       3.652111  50.58425       3.652111  0.000000       0.000000  1409.723 51.17132 ?        ?        ?              ?        
1 1 1 -12 8  3  o 595.9229 59.06732 9.144919       1.758581  9.144919       1.758581  0.000000       0.000000  595.9229 59.06732 ?        ?        ?              ?        
1 1 1 -12 8  4  o 1423.506 46.49673 53.71748       3.119941  57.67267       3.871608  46.39156       5.269125  1504.884 50.81649 1342.128 77.88111 162.7556       92.99345 
1 1 1 -12 8  5  o 931.8051 44.70844 22.75589       1.981861  23.83207       2.471228  20.81619       3.317705  965.8383 50.71624 897.7718 73.64265 68.06653       89.41687 
1 1 1 -12 8  6  o 1099.929 44.02472 31.18131       2.364590  30.34984       3.832424  31.69240       3.004691  1085.350 70.12106 1114.507 53.25166 -29.15710      88.04943 
1 1 1 -12 8  7  o 1010.074 44.65970 26.39870       2.141647  25.63150       3.676626  26.79271       2.634808  995.4200 73.47509 1024.729 50.78746 -29.30859      89.31940 
1 1 1 -12 8  8  o 479.1059 49.08264 6.267396       1.104505  4.607693       1.650827  7.612459       1.486133  415.2398 81.43693 542.9719 54.81285 -127.7321      98.16528 
1 1 1 -12 8  9  o 1120.418 44.72729 31.67247       2.358666  34.11383       4.234216  30.57407       2.840125  1147.207 73.28603 1093.630 51.29600 53.57715       89.45458 
1 1 1 -12 8  10 o 695.0291 52.20436 13.35651       1.654692  14.92517       2.064875  10.54143       2.766151  761.2076 53.92963 628.8504 89.40231 132.3572       104.4087 
1 1 1 -12 8  11 o 558.8078 45.02632 8.229034       1.202754  7.952845       1.963435  8.394925       1.521682  548.4790 72.48453 569.1366 53.43660 -20.65759      90.05264 
1 1 1 -12 8  12 f 850.6067 36.61945 18.67812       1.541148  18.89143       2.423150  18.53321       1.997132  853.0114 56.42897 848.2020 46.68736 4.809448       73.23891 
1 1 1 -12 8  13 o 264.4576 59.53841 1.189453       0.9319894 3.501228       1.693695  0.1854435      1.116173  352.9936 93.34466 175.9215 73.93284 177.0721       119.0768 
1 1 1 -12 8  14 o 324.4418 68.82081 2.953282       1.312943  1.441737       1.937833  4.235975       1.785119  262.7088 101.9078 386.1747 92.52040 -123.4659      137.6416 
1 1 1 -12 8  15 o 684.3857 80.98174 13.26903       2.046727  14.57937       4.915437  12.99419       2.251161  671.2062 148.5778 697.5651 64.47321 -26.35889      161.9635 
1 1 1 -12 8  16 o 490.5757 70.04206 7.316999       1.628095  5.947276       2.634382  8.163463       2.070936  438.6006 116.6228 542.5508 77.60601 -103.9503      140.0841 
1 1 1 -12 8  17 o 623.5703 53.57909 10.86961       1.652832  10.81733       2.411180  10.91595       2.270109  619.9943 78.58077 627.1462 72.85560 -7.151855      107.1582 
1 1 1 -12 8  18 o 291.1760 80.70242 2.293207       1.894915  3.733120       2.391385  -0.1364202     3.106356  336.0347 115.8686 246.3174 112.3654 89.71730       161.4048 
1 1 1 -12 8  19 o 316.7491 80.17918 3.354120       1.678937  2.379433       2.481723  4.176691       2.279854  284.3314 113.7636 349.1668 113.0161 -64.83539      160.3584 
1 1 1 -12 8  20 o 208.2241 91.55202 0.3603379      1.865112  0.000000       0.000000  0.3603379      1.865112  ?        ?        208.2241 91.55202 ?              ?        
1 1 1 -12 9  1  o 1126.704 55.41912 32.61650       3.121840  34.08517       4.725770  31.47935       4.158357  1148.232 81.82954 1105.176 74.75990 43.05627       110.8382 
1 1 1 -12 9  2  o 682.5110 47.78504 12.10203       1.601566  12.42767       2.103033  11.65241       2.471152  695.0016 60.36876 670.0204 74.08949 24.98120       95.57008 
1 1 1 -12 9  3  o 1388.969 53.30450 49.19051       3.748349  49.19051       3.748349  0.000000       0.000000  1388.969 53.30450 ?        ?        ?              ?        
1 1 1 -12 9  4  o 709.4369 43.08689 13.17447       1.486368  14.00094       1.926165  11.95787       2.336982  739.2585 51.79230 679.6152 68.87291 59.64325       86.17378 
1 1 1 -12 9  5  o 785.0575 44.45230 15.97135       1.696585  15.48272       2.737235  16.27617       2.161953  773.3921 70.68995 796.7229 53.91621 -23.33081      88.90459 
1 1 1 -12 9  6  o 1088.417 44.44904 31.11418       2.330020  27.89588       3.797234  33.05769       2.950851  1038.752 72.66342 1138.081 51.21423 -99.32837      88.89809 
1 1 1 -12 9  7  o 855.5107 46.81245 19.01744       1.925147  18.51970       3.196047  19.30087       2.411770  844.0099 75.59757 867.0115 55.23249 -23.00159      93.62490 
1 1 1 -12 9  8  o 821.8680 37.64309 17.33952       1.556777  17.56036       2.249211  17.13644       2.156917  826.7312 54.03534 817.0049 52.42319 9.726318       75.28618 
1 1 1 -12 9  9  o 1120.106 47.54943 33.02767       2.467263  30.86701       4.381291  34.03106       2.985685  1087.027 80.17788 1153.186 51.14003 -66.15930      95.09887 
1 1 1 -12 9  10 o 867.4095 41.98048 19.74868       1.801841  22.64594       2.481037  16.51505       2.621104  938.0598 52.45203 796.7592 65.56087 141.3006       83.96096 
1 1 1 -12 9  11 o 751.3485 41.65562 15.30508       1.493872  11.88140       2.314185  17.75097       1.956006  672.1165 68.98787 830.5806 46.70584 -158.4641      83.31123 
1 1 1 -12 9  12 o 234.8750 60.70125 1.020668       0.8843795 1.985235       1.625803  0.6153110      1.053952  278.6781 95.56934 191.0718 74.86700 87.60623       121.4025 
1 1 1 -12 9  13 o 390.0641 59.32430 4.096586       1.105422  4.827610       1.836925  3.681558       1.384091  414.7115 90.06978 365.4167 77.23293 49.29486       118.6486 
1 1 1 -12 9  14 o 226.8849 66.09622 -0.3399689     1.366836  2.160234       2.071349  -2.268336      1.819116  291.9502 107.0614 161.8197 77.54153 130.1305       132.1924 
1 1 1 -12 9  15 o 313.8792 85.31144 2.503044       1.601590  1.325030       4.236629  2.699464       1.729968  320.1514 139.4385 307.6071 98.33140 12.54437       170.6229 
1 1 1 -12 9  16 o 320.4846 78.23994 3.016043       1.548824  2.684464       2.241417  3.319047       2.142655  308.2109 111.6204 332.7583 109.6669 -24.54742      156.4799 
1 1 1 -12 9  17 o 461.4897 86.72275 7.255120       1.665728  6.540965       4.678251  7.358804       1.782549  409.6285 158.4957 513.3508 70.44469 -103.7224      173.4455 
1 1 1 -12 9  18 o 632.3417 77.24858 12.06619       1.873964  14.15130       4.300937  11.57759       2.081982  619.8376 140.3232 644.8458 64.64350 -25.00824      154.4972 
1 1 1 -12 9  19 o 387.7635 81.01788 5.260076       1.711279  4.698497       2.422151  5.819769       2.418082  364.5075 116.3342 411.0196 112.7916 -46.51208      162.0358 
1 1 1 -12 9  20 o 271.0313 76.33562 2.303820       1.607697  2.852690       1.987046  1.263488       2.735639  290.5690 105.1167 251.4937 110.7203 39.07530       152.6712 
1 1 1 -12 10 1  o 1440.612 50.84262 54.21111       3.398395  51.29597       6.062203  55.54704       4.103869  1406.305 85.55322 1474.919 54.95938 -68.61353      101.6852 
1 1 1 -12 10 2  o 978.4095 49.35244 24.41793       2.271981  25.48095       4.023091  23.92015       2.753008  990.8155 80.90784 966.0036 56.53826 24.81189       98.70488 
1 1 1 -12 10 3  o 1174.531 49.63080 34.55401       2.638292  33.38033       3.087808  37.72789       5.077751  1143.493 53.33756 1205.569 83.71362 -62.07654      99.26160 
1 1 1 -12 10 4  o 1128.950 52.92536 32.89472       2.986772  32.39569       3.982810  33.53600       4.514924  1120.470 70.57166 1137.429 78.89242 -16.95886      105.8507 
1 1 1 -12 10 5  o 658.5010 45.62955 11.10459       1.461715  11.76994       2.380495  10.70188       1.851968  672.7598 70.96195 644.2422 57.38140 28.51764       91.25910 
1 1 1 -12 10 6  o 701.1119 45.50809 12.39384       1.559704  14.23739       2.555606  11.29958       1.968912  740.7631 68.93578 661.4608 59.42898 79.30231       91.01617 
1 1 1 -12 10 7  o 731.0798 40.20840 13.77909       1.475845  14.07329       2.073850  13.47721       2.100729  739.2713 55.82180 722.8884 57.88600 16.38293       80.41681 
1 1 1 -12 10 8  o 312.9188 56.78867 2.547282       0.9279456 3.674671       1.395981  1.654763       1.242085  369.9524 77.03656 255.8853 83.45765 114.0671       113.5773 
1 1 1 -12 10 9  o 314.2131 69.76532 1.989156       1.137090  4.240155       2.282447  1.246039       1.311420  392.0704 110.3333 236.3558 85.41283 155.7146       139.5306 
1 1 1 -12 10 10 o 614.4489 41.34745 9.809466       1.239545  9.913347       1.982895  9.742833       1.588081  615.2811 64.62179 613.6166 51.59914 1.664490       82.69490 
1 1 1 -12 10 11 o 589.3264 42.00742 9.110421       1.222830  8.983634       1.858731  9.207170       1.623688  584.1509 63.89212 594.5019 54.55540 -10.35095      84.01485 
1 1 1 -12 10 12 o 776.2024 41.51952 15.76445       1.528306  15.83796       2.630205  15.72698       1.877847  773.2018 67.87818 779.2029 47.83341 -6.001038      83.03905 
1 1 1 -12 10 13 o 840.6580 46.81921 19.38783       1.707115  17.44890       3.279851  20.10827       1.999267  800.0811 82.13769 881.2348 44.96169 -81.15375      93.63842 
1 1 1 -12 10 14 o 846.6049 64.02482 18.41920       2.324381  23.45481       4.876739  16.93898       2.644027  897.7039 109.5776 795.5058 66.25307 102.1981       128.0496 
1 1 1 -12 10 15 o 478.0195 90.93745 5.456081       1.854840  11.55029       4.419597  4.153187       2.043519  583.9507 149.0040 372.0883 104.2895 211.8625       181.8749 
1 1 1 -12 10 16 o 222.5977 71.62171 -0.7496596     1.695958  -1.389669      2.123326  0.3781414      2.818640  190.5744 89.01379 254.6210 112.2284 -64.04663      143.2434 
1 1 1 -12 10 17 o 466.7075 76.58321 7.170466       1.751111  7.759220       2.222580  6.206828       2.843463  510.1059 89.31678 423.3091 124.4286 86.79684       153.1664 
1 1 1 -12 10 18 o 217.3149 65.05531 0.4801194      1.252512  1.709712       1.939896  -0.3989164     1.640216  253.9166 100.9110 180.7133 82.13245 73.20326       130.1106 
1 1 1 -12 10 19 o 429.7477 75.08561 6.143916       1.638512  7.714520       2.443982  4.861610       2.208312  484.9874 102.7329 374.5080 109.5324 110.4794       150.1712 
1 1 1 -12 10 20 o 267.7017 75.19603 2.125531       1.635949  0.4597724      2.369450  3.642947       2.261486  222.1062 100.0426 313.2973 112.2909 -91.19115      150.3921 
1 1 1 -12 11 1  o 1127.243 84.62221 33.11245       4.794075  0.000000       0.000000  33.11245       4.794075  ?        ?        1127.243 84.62221 ?              ?        
1 1 1 -12 11 2  o 770.7654 58.34787 15.29505       2.259957  0.000000       0.000000  15.29505       2.259957  ?        ?        770.7654 58.34787 ?              ?        
1 1 1 -12 11 3  o 525.6987 51.08265 7.319691       1.306327  6.596338       1.934285  7.926284       1.771307  499.3812 79.14693 552.0162 64.60273 -52.63495      102.1653 
1 1 1 -12 11 4  o 759.4941 57.24697 15.67816       2.063802  18.15117       2.718213  12.31227       3.171179  838.2047 64.55120 680.7834 94.56218 157.4213       114.4939 
1 1 1 -12 11 5  o 1041.244 43.28255 27.22864       2.178777  30.33530       3.720830  25.60758       2.687767  1083.346 68.18843 999.1414 53.32781 84.20471       86.56511 
1 1 1 -12 11 6  o 1168.859 36.63800 34.96712       2.166060  33.18037       3.058972  36.76395       3.067590  1138.597 53.06668 1199.120 50.53018 -60.52344      73.27600 
1 1 1 -12 11 7  o 361.4981 58.77553 3.540210       1.047350  3.466252       1.584380  3.597612       1.395825  357.2847 88.13760 365.7115 77.78185 -8.426849      117.5511 
1 1 1 -12 11 8  o 578.3893 44.88747 8.645728       1.283206  9.395988       1.964368  8.087265       1.694784  599.6785 65.78259 557.1000 61.09165 42.57855       89.77493 
1 1 1 -12 11 9  o 316.5944 58.09723 3.130478       1.210373  -1.915662      2.385800  4.879364       1.404544  204.2105 95.03766 428.9781 66.85055 -224.7676      116.1945 
1 1 1 -12 11 10 o 671.5043 41.49488 12.02007       1.348869  10.56532       2.113299  13.02016       1.752217  633.2411 66.93306 709.7676 49.06390 -76.52649      82.98976 
1 1 1 -12 11 11 o 404.4460 59.46548 5.242042       1.138728  2.452427       1.964961  6.652640       1.397280  305.4854 105.0485 503.4066 55.76194 -197.9212      118.9310 
1 1 1 -12 11 12 o 1155.001 44.96619 34.43311       2.629372  0.000000       0.000000  34.43311       2.629372  ?        ?        1155.001 44.96619 ?              ?        
1 1 1 -12 11 13 o 715.1066 80.21186 15.97592       2.130594  13.09335       4.704083  16.71987       2.389766  635.3391 148.8521 794.8742 59.82320 -159.5352      160.4237 
1 1 1 -12 11 14 o 718.0812 48.55529 13.96075       1.741347  13.45298       2.488187  14.44817       2.437857  703.7535 70.79671 732.4088 66.47024 -28.65533      97.11059 
1 1 1 -12 11 15 o 551.6556 79.81517 6.836442       1.769377  14.92536       4.308111  5.195135       1.940603  683.2478 129.2796 420.0634 93.64095 263.1844       159.6303 
1 1 1 -12 11 16 o 631.7203 67.51772 12.68638       1.848867  9.328784       3.165837  14.42425       2.277633  535.6950 119.7411 727.7457 62.42298 -192.0507      135.0354 
1 1 1 -12 11 17 o 371.0056 70.92321 4.257136       1.335921  5.314514       2.177087  3.618533       1.691905  403.2059 105.4513 338.8053 94.87056 64.40060       141.8464 
1 1 1 -12 11 18 o 193.3826 59.95444 0.6051822E-01  1.153255  0.8821980      1.641263  -0.7408260     1.620826  215.9910 90.13382 170.7741 79.08246 45.21692       119.9089 
1 1 1 -12 11 19 o 502.6253 69.91209 8.321931       1.705104  9.010374       2.315180  7.505859       2.520665  538.2171 88.00816 467.0335 108.6525 71.18362       139.8242 
1 1 1 -12 12 1  o 746.8821 46.28941 14.43895       1.706107  14.57590       2.655337  14.34265       2.226512  748.4091 70.92713 745.3550 59.49942 3.054077       92.57883 
1 1 1 -12 12 2  o 265.1775 89.35988 1.731128       1.421115  0.000000       0.000000  1.731128       1.421115  ?        ?        265.1775 89.35988 ?              ?        
1 1 1 -12 12 3  o 473.7863 53.08982 6.002448       1.217562  5.294296       1.785425  6.618067       1.664694  444.8750 82.30341 502.6975 67.08402 -57.82254      106.1796 
1 1 1 -12 12 4  o 684.0331 67.34143 13.39840       2.076011  16.02107       2.662870  9.334023       3.314934  785.5924 67.61153 582.4737 116.4824 203.1187       134.6829 
1 1 1 -12 12 5  o 273.8552 54.49791 1.944834       0.8380658 2.913533       1.189976  0.9915184      1.180489  329.3304 73.26236 218.3800 80.70141 110.9505       108.9958 
1 1 1 -12 12 6  f 770.3694 38.18903 15.28001       1.478828  14.48172       2.061806  16.12580       2.122262  749.3851 54.72330 791.3537 53.28197 -41.96863      76.37806 
1 1 1 -12 12 7  o 1442.876 39.66513 53.60415       2.886999  48.09742       4.058852  59.24297       4.107245  1366.721 58.65966 1519.031 53.40725 -152.3098      79.33026 
1 1 1 -12 12 8  o 655.1678 40.88291 11.30226       1.303417  10.44838       2.052917  11.87892       1.687083  631.7534 65.11943 678.5823 49.44804 -46.82886      81.76582 
1 1 1 -12 12 9  o 172.2417 55.49633 -0.8147177     0.9820480 -0.3401493     1.758346  -1.029859      1.183904  201.0263 88.62156 143.4571 66.82506 57.56920       110.9927 
1 1 1 -12 12 10 o 395.3513 67.14307 4.201328       1.295834  0.000000       0.000000  4.201328       1.295834  ?        ?        395.3513 67.14307 ?              ?        
1 1 1 -12 12 11 o 732.6407 50.94519 13.71657       1.774384  16.54857       3.124358  12.36829       2.155774  781.6647 80.08128 683.6168 62.99714 98.04791       101.8904 
1 1 1 -12 12 12 o 299.2736 72.44453 2.430693       1.284884  2.349458       2.195259  2.473023       1.584678  301.1338 110.2493 297.4134 94.01027 3.720367       144.8891 
1 1 1 -12 12 13 o 226.7901 65.64191 0.5923147      1.256673  -0.4755567     1.824663  1.555887       1.733266  196.6295 88.24535 256.9507 97.20187 -60.32124      131.2838 
1 1 1 -12 12 14 o 377.5146 70.42553 4.125095       1.377154  5.560893       2.117196  3.072078       1.813143  432.6204 98.82987 322.4087 100.3577 110.2117       140.8511 
1 1 1 -12 12 15 o 595.9011 81.90263 10.31922       1.936485  12.69664       4.408486  9.750813       2.155582  600.5676 146.3351 591.2347 73.60852 9.332947       163.8053 
1 1 1 -12 12 16 o 464.0885 77.77409 7.127216       1.784827  6.330303       2.841933  7.646264       2.293571  426.5436 124.1151 501.6333 93.75865 -75.08972      155.5482 
1 1 1 -12 12 17 o 248.5157 68.82381 1.441723       1.388563  -0.3048560     2.101341  2.795514       1.850028  203.0944 92.55859 293.9370 101.8812 -90.84268      137.6476 
1 1 1 -12 12 18 o 273.8512 67.17925 2.284164       1.222464  1.050372       1.737828  3.492713       1.719960  222.9237 92.86343 324.7787 97.10094 -101.8550      134.3585 
1 1 1 -12 12 19 o 296.8323 75.69345 3.118555       1.443430  3.358801       2.222528  2.943301       1.898249  302.9451 110.9290 290.7195 103.0182 12.22559       151.3869 
1 1 1 -12 13 1  o 567.4247 45.67010 8.243464       1.274488  7.363137       1.659436  9.509555       1.990082  531.1710 62.93188 603.6783 66.20128 -72.50732      91.34019 
1 1 1 -12 13 2  o 945.4523 53.85482 23.25309       2.259857  23.54099       4.353959  23.14693       2.643872  942.6325 92.42316 948.2721 55.31116 -5.639587      107.7096 
1 1 1 -12 13 3  o 1098.563 52.03325 31.53392       2.616793  31.01207       4.794508  31.75532       3.122955  1084.799 88.05939 1112.328 55.45609 -27.52844      104.0665 
1 1 1 -12 13 4  f 1178.037 51.85527 37.30267       2.774696  39.13948       3.333442  33.15914       5.006645  1235.266 53.30266 1120.808 88.96461 114.4576       103.7105 
1 1 1 -12 13 5  o 1071.949 36.48301 29.48034       1.979156  28.63275       2.804929  30.32075       2.793008  1056.367 52.44732 1087.531 50.72788 -31.16394      72.96601 
1 1 1 -12 13 6  o 301.8392 65.92966 2.476293       1.134753  1.595794       1.837661  3.018947       1.442656  271.0139 100.5823 332.6646 85.26475 -61.65063      131.8593 
1 1 1 -12 13 7  o 317.3936 68.66650 2.900306       1.290470  0.6290174      2.427483  3.795051       1.523595  262.0304 109.5044 372.7567 82.88021 -110.7264      137.3330 
1 1 1 -12 13 8  o 305.2208 63.99977 2.543942       1.060133  2.467843       1.527887  2.614593       1.472174  301.5487 91.82764 308.8929 89.17155 -7.344147      127.9995 
1 1 1 -12 13 9  o 465.9373 61.39486 5.886326       1.376521  5.390564       1.781152  6.621537       2.169053  443.2227 82.41042 488.6518 91.02658 -45.42911      122.7897 
1 1 1 -12 13 10 o 703.2092 45.36269 13.97135       1.442917  10.60614       2.428592  15.80739       1.793862  625.1548 78.46162 781.2636 45.55074 -156.1088      90.72539 
1 1 1 -12 13 11 o 505.6260 66.67569 8.396811       1.372054  5.105727       2.739211  9.499080       1.585258  409.8278 122.5423 601.4243 52.59253 -191.5965      133.3514 
1 1 1 -12 13 12 o 413.2206 61.83204 4.938982       1.178556  4.635079       2.099590  5.078791       1.424075  394.8619 103.6969 431.5793 67.37776 -36.71735      123.6641 
1 1 1 -12 13 13 o 594.3860 56.28654 10.02392       1.587669  9.069720       2.513763  10.65717       2.047807  561.4238 91.59931 627.3481 65.43900 -65.92438      112.5731 
1 1 1 -12 13 14 o 326.4631 68.63110 2.983590       1.151202  3.948804       2.063111  2.547187       1.387249  357.5224 106.2239 295.4038 86.93322 62.11862       137.2622 
1 1 1 -12 13 15 o 258.7788 78.97511 1.164359       1.626253  0.1694164      3.820489  1.384527       1.797202  272.8552 124.5267 244.7024 97.16673 28.15279       157.9502 
1 1 1 -12 13 16 o 328.5421 76.13924 3.697429       1.620484  1.632420       2.562637  5.073338       2.091804  264.0930 111.5606 392.9912 103.6483 -128.8982      152.2785 
1 1 1 -12 13 17 o 209.1277 63.83889 -0.4535339E-01 1.384038  -2.317056      2.048013  1.864242       1.877707  164.4321 79.65506 253.8233 99.78320 -89.39122      127.6778 
1 1 1 -12 13 18 o 239.1971 67.94376 1.307967       1.339156  2.686694       1.914010  -0.1417192E-01 1.874319  282.1170 102.9968 196.2773 88.64014 85.83971       135.8875 
1 1 1 -12 13 19 o 205.2882 64.68531 0.4864220      1.338246  0.5242385      2.122729  0.4614778      1.724009  212.2299 95.21817 198.3465 87.58001 13.88339       129.3706 
1 1 1 -12 14 1  o 584.2040 50.49769 9.450566       1.369533  11.79327       1.841347  6.550096       2.048852  675.2717 54.32042 493.1363 85.14317 182.1354       100.9954 
1 1 1 -12 14 2  o 389.3178 71.63958 4.837469       1.332449  5.525473       1.477163  1.833220       3.086747  457.7256 65.62144 320.9101 127.3685 136.8155       143.2792 
1 1 1 -12 14 3  o 620.9827 75.74958 12.43448       1.817260  7.442084       3.736780  13.98095       2.079762  507.0871 140.6379 734.8782 56.32917 -227.7911      151.4992 
1 1 1 -12 14 4  o 983.2950 53.08365 24.26804       2.545045  21.05914       3.166397  30.12488       4.277787  897.2087 70.27050 1069.381 79.58363 -172.1726      106.1673 
1 1 1 -12 14 5  o 606.9247 46.12871 9.470252       1.362144  10.54406       2.221093  8.822915       1.724521  632.4418 70.57193 581.4077 59.42250 51.03418       92.25742 
1 1 1 -12 14 6  o 844.3770 47.55694 19.11568       1.938980  20.60056       2.498015  16.86503       3.075420  891.3828 55.63163 797.3712 77.14773 94.01160       95.11388 
1 1 1 -12 14 7  o 380.0764 56.46561 4.002204       1.044070  3.620404       1.583659  4.295733       1.388575  361.1423 87.52988 399.0104 71.35812 -37.86807      112.9312 
1 1 1 -12 14 8  o 823.3593 38.33482 18.12002       1.539972  15.13748       2.349653  20.36593       2.038946  758.7266 61.70400 887.9919 45.50661 -129.2653      76.66965 
1 1 1 -12 14 9  o 641.2532 44.47392 11.38858       1.320991  9.323178       2.184873  12.57860       1.658446  586.7461 75.28842 695.7603 47.36423 -109.0142      88.94783 
1 1 1 -12 14 10 o 192.9301 56.21820 0.1330343E-01  1.053853  -5.000832      2.335237  1.295615       1.180946  156.7519 77.72198 229.1084 81.24800 -72.35658      112.4364 
1 1 1 -12 14 11 o 340.2542 67.51016 3.522082       1.119620  2.589586       2.422386  3.775403       1.262572  310.7560 115.4515 369.7525 70.01026 -58.99649      135.0203 
1 1 1 -12 14 12 o 249.0849 63.76377 1.603240       1.077378  0.2614062      1.967129  2.178216       1.287680  221.2804 95.69379 276.8893 84.29693 -55.60884      127.5275 
1 1 1 -12 14 13 o 167.9748 56.08321 -1.625608      1.164769  -0.5923327     1.979632  -2.172717      1.440499  199.2559 90.43310 136.6937 66.35633 62.56224       112.1664 
1 1 1 -12 14 14 o 564.7390 85.40836 11.71109       1.617685  8.545196       4.772166  12.12212       1.719492  454.9286 163.1124 674.5493 50.72171 -219.6208      170.8167 
1 1 1 -12 14 15 o 670.1649 55.71725 13.17221       1.819160  11.35828       2.652143  14.78394       2.499959  616.0627 87.49142 724.2671 69.01378 -108.2043      111.4345 
1 1 1 -12 14 16 o 216.9638 70.81021 -0.3329881     1.780643  -0.4874395     2.304859  -0.1043286     2.804420  205.3889 94.82735 228.5386 105.1861 -23.14973      141.6204 
1 1 1 -12 14 17 o 206.7439 65.66351 0.1762874      1.436261  -0.1586365     2.031564  0.5109576      2.030795  199.0985 90.84260 214.3893 94.83885 -15.29080      131.3270 
1 1 1 -12 14 18 o 273.6744 73.50815 2.600686       1.408316  2.415570       2.075787  2.758564       1.916996  267.0906 104.9413 280.2582 102.9617 -13.16763      147.0163 
1 1 1 -12 15 1  o 1079.593 44.10651 30.50949       2.335121  29.35063       3.725381  31.25945       2.996937  1058.144 69.93565 1101.043 53.76377 -42.89954      88.21302 
1 1 1 -12 15 2  o 1187.903 44.69095 36.44564       2.603942  37.78918       4.244420  35.63477       3.297396  1200.975 70.11198 1174.831 55.43856 26.14331       89.38190 
1 1 1 -12 15 3  o 517.1448 74.68054 6.916923       1.647213  8.653956       3.447448  6.403040       1.875104  546.6970 126.9854 487.5927 78.63490 59.10422       149.3611 
1 1 1 -12 15 4  f 517.5279 61.89426 7.052338       1.589515  7.052338       1.589515  0.000000       0.000000  517.5279 61.89426 ?        ?        ?              ?        
1 1 1 -12 15 5  o 329.1596 71.55960 1.329657       1.094808  6.317417       2.848007  0.4648024      1.185933  466.1155 119.9792 192.2037 78.02620 273.9119       143.1192 
1 1 1 -12 15 6  o 191.8645 55.98153 0.3727429      0.8614372 0.4835170      1.387159  0.3032057      1.099046  204.2226 83.81434 179.5064 74.23531 24.71622       111.9631 
1 1 1 -12 15 7  o 274.4854 61.88689 1.982366       0.9579307 2.396356       1.505420  1.700686       1.241769  294.9060 91.38818 254.0648 83.47543 40.84119       123.7738 
1 1 1 -12 15 8  o 502.4365 48.32291 6.568149       1.175489  8.283874       1.883415  5.473359       1.504484  555.0267 68.47890 449.8463 68.19863 105.1804       96.64581 
1 1 1 -12 15 9  o 757.1517 56.52241 16.23232       1.688135  14.71092       3.607535  16.65887       1.910181  714.8494 102.6242 799.4540 47.40672 -84.60461      113.0448 
1 1 1 -12 15 10 o 290.6844 55.25070 2.699109       1.170189  -3.731998      2.554148  4.407652       1.316486  180.2853 87.71099 401.0835 67.21117 -220.7983      110.5014 
1 1 1 -12 15 11 o 496.5931 55.93393 6.282129       1.245387  8.666400       2.408536  5.412029       1.454991  548.9890 89.76015 444.1972 66.76475 104.7918       111.8679 
1 1 1 -12 15 12 o 220.8163 63.39584 0.8832077      1.005930  0.8228926      1.993449  0.9038132      1.165157  236.1654 99.00413 205.4672 79.21057 30.69823       126.7917 
1 1 1 -12 15 13 o 294.2335 72.40256 2.528545       1.323313  3.115626       1.978268  2.053111       1.780250  317.3472 105.4141 271.1198 99.27934 46.22739       144.8051 
1 1 1 -12 15 14 f 601.8836 73.94694 8.728693       1.560273  16.28717       4.420760  7.653172       1.667590  679.6653 133.2378 524.1019 64.18952 155.5635       147.8939 
1 1 1 -12 15 15 o 318.5459 74.41552 3.320579       1.458162  4.843659       2.153243  2.030481       1.981723  374.8709 107.7348 262.2209 102.6835 112.6499       148.8310 
1 1 1 -12 15 16 o 417.1535 73.75192 5.349863       1.555365  9.415083       2.701713  3.334650       1.902207  525.5806 105.2060 308.7264 103.3880 216.8542       147.5038 
1 1 1 -12 15 17 o 372.1866 75.85151 4.966824       1.486101  5.478399       2.350129  4.625965       1.918332  380.7112 113.4313 363.6622 100.7330 17.04898       151.7030 
1 1 1 -12 15 18 o 215.3846 66.53253 0.7345808      1.391671  1.939529       2.088162  -0.2282878     1.866653  245.5431 101.9987 185.2261 85.45509 60.31703       133.0651 
1 1 1 -12 16 1  o 566.5921 50.27420 8.640193       1.332273  8.789760       1.653096  8.363014       2.250398  578.9071 57.14936 554.2771 82.72805 24.63000       100.5484 
1 1 1 -12 16 2  o 424.0927 63.21415 6.814333       1.427029  9.114208       1.646243  -0.1375118     2.862147  590.0284 55.77225 258.1569 113.4617 331.8715       126.4283 
1 1 1 -12 16 3  o 921.0906 52.95785 21.75766       2.101076  24.39226       4.327416  20.94502       2.403368  944.7966 91.62206 897.3846 53.13695 47.41199       105.9157 
1 1 1 -12 16 4  o 505.7954 47.38394 6.850372       1.162856  5.462508       1.610882  8.360554       1.680370  448.7746 73.44199 562.8162 59.89346 -114.0416      94.76788 
1 1 1 -12 16 5  o 658.8950 67.44638 11.57304       2.218164  11.57304       2.218164  0.000000       0.000000  658.8950 67.44638 ?        ?        ?              ?        
1 1 1 -12 16 6  o 1007.819 37.74464 27.24920       1.847845  23.21038       2.896620  30.02071       2.399509  937.4783 61.36915 1078.161 43.95976 -140.6824      75.48929 
1 1 1 -12 16 7  o 705.8707 41.30696 13.43944       1.404284  12.11355       2.250767  14.28454       1.796924  671.8093 67.07260 739.9320 48.23201 -68.12268      82.61392 
1 1 1 -12 16 8  o 755.1711 56.90508 17.15322       1.715031  12.89520       3.381454  18.62789       1.989974  665.2320 103.7914 845.1103 46.69154 -179.8783      113.8102 
1 1 1 -12 16 9  o 738.5706 60.07198 16.21635       1.696752  13.54128       3.627460  16.96555       1.919707  672.1460 110.4361 804.9952 47.31201 -132.8492      120.1440 
1 1 1 -12 16 10 o 344.9812 64.35609 3.885018       1.160064  2.036175       2.199880  4.597173       1.365326  282.6486 108.8754 407.3138 68.65115 -124.6653      128.7122 
1 1 1 -12 16 11 o 364.5319 64.77065 3.349769       1.129529  6.014872       2.136444  2.315810       1.330719  446.9691 97.18349 282.0947 85.65233 164.8745       129.5413 
1 1 1 -12 16 12 o 334.2001 75.84335 3.507489       1.418960  3.506888       2.419665  3.507804       1.751801  331.0984 116.4157 337.3018 97.24323 -6.203369      151.6867 
1 1 1 -12 16 13 o 479.9942 63.63917 6.896377       1.476309  7.545961       2.275723  6.424366       1.939893  496.1695 94.03716 463.8190 85.77172 32.35046       127.2783 
1 1 1 -12 16 14 o 524.3449 83.27517 9.479675       1.610375  10.00471       4.298336  9.393948       1.736879  468.3367 155.3752 580.3531 59.97972 -112.0164      166.5503 
1 1 1 -12 16 15 o 315.3453 80.56850 3.703175       1.643246  3.632310       2.186764  3.795098       2.490562  314.8764 110.6735 315.8141 117.1175 -0.9377136     161.1370 
1 1 1 -12 16 16 o 179.1090 59.35881 -0.5487966     1.142507  -0.1011382     2.340101  -0.6889006     1.309141  207.5547 95.72989 150.6633 70.21156 56.89136       118.7176 
1 1 1 -12 16 17 o 157.5623 53.87257 -1.684392      1.234707  -1.143088      2.038634  -1.997982      1.551669  175.8837 83.67436 139.2409 67.87943 36.64272       107.7451 
1 1 1 -12 17 1  o 308.9368 56.15123 2.880110       0.9498459 3.886254       1.204083  1.222449       1.545519  378.6964 65.15273 239.1773 91.47111 139.5191       112.3025 
1 1 1 -12 17 2  o 734.6550 39.73614 14.18394       1.466017  13.67981       2.039286  14.72312       2.108992  721.0333 56.31169 748.2767 56.07885 -27.24335      79.47228 
1 1 1 -12 17 3  o 569.1840 70.74682 8.432606       1.593412  10.79829       3.661454  7.879903       1.769788  596.5448 125.2245 541.8231 65.87312 54.72174       141.4936 
1 1 1 -12 17 4  o 631.4312 43.58033 10.60875       1.374321  11.16415       1.967614  10.07967       1.920412  648.1633 60.66711 614.6990 62.58181 33.46436       87.16066 
1 1 1 -12 17 5  o 734.7511 45.09986 14.32312       1.652378  13.45719       2.204803  15.43272       2.495788  710.5485 61.90900 758.9537 65.59930 -48.40527      90.19973 
1 1 1 -12 17 6  o 486.3608 54.03682 7.246365       1.163097  4.084403       1.815045  9.449447       1.515041  373.3995 95.60201 599.3222 50.40007 -225.9227      108.0736 
1 1 1 -12 17 7  o 525.9920 53.47161 7.924451       1.249626  6.941142       2.205897  8.389132       1.516415  489.8119 92.34212 562.1722 53.94242 -72.36032      106.9432 
1 1 1 -12 17 8  o 207.4042 59.47765 0.5679357      1.061901  -2.449686      2.227693  1.455235       1.207975  179.3431 85.90423 235.4653 82.28505 -56.12219      118.9553 
1 1 1 -12 17 9  o 298.9564 65.07641 2.944135       1.245563  -0.9244416     2.796690  3.901356       1.391152  228.2500 105.0487 369.6628 76.84088 -141.4128      130.1528 
1 1 1 -12 17 10 o 252.5641 69.39271 1.360164       1.081755  2.239828       2.359766  1.126124       1.217181  288.1226 112.2642 217.0057 81.59738 71.11690       138.7854 
1 1 1 -12 17 11 o 477.9433 61.38570 6.991402       1.278325  6.104564       2.368170  7.356061       1.518568  436.7300 107.7669 519.1566 58.81426 -82.42657      122.7714 
1 1 1 -12 17 12 o 200.0985 63.07690 -0.3649801     1.205519  1.165895       2.165772  -1.052216      1.451095  244.3588 102.8554 155.8381 73.04488 88.52074       126.1538 
1 1 1 -12 17 13 o 708.6588 43.66914 13.32992       1.486281  16.70926       2.584959  11.66099       1.816586  766.3100 67.31155 651.0076 55.65188 115.3024       87.33829 
1 1 1 -12 17 14 o 211.5994 67.53718 0.5036123      1.269197  -0.4523392     3.181965  0.6844788      1.384065  227.4819 107.1109 195.7168 82.29422 31.76518       135.0744 
1 1 1 -12 17 15 o 259.5082 67.34186 1.317154       1.415274  4.623437       2.114544  -1.365866      1.904840  351.0910 108.2297 167.9255 80.16262 183.1655       134.6837 
1 1 1 -12 17 16 o 259.9695 76.21988 2.078216       1.498247  3.539241       2.845520  1.517811       1.762317  290.5762 119.7402 229.3629 94.34072 61.21332       152.4398 
1 1 1 -12 17 17 o 267.6333 74.16221 2.801208       1.440596  3.055045       2.320961  2.642131       1.837362  271.7311 109.5586 263.5354 99.98525 8.195709       148.3244 
1 1 1 -12 18 1  o 239.0342 67.78095 1.167556       1.168576  -1.030096      2.793846  1.633556       1.286519  230.1936 105.5920 247.8748 85.01394 -17.68120      135.5619 
1 1 1 -12 18 2  o 451.0232 74.37222 6.823332       1.417957  4.519732       3.314353  7.339428       1.568776  379.2325 135.9382 522.8139 60.37980 -143.5814      148.7444 
1 1 1 -12 18 3  o 393.2626 54.24337 4.336080       1.040583  4.737663       1.503490  3.966844       1.441668  412.0021 74.83693 374.5232 78.54175 37.47885       108.4867 
1 1 1 -12 18 4  o 338.7114 76.24290 2.981785       1.052488  3.791780       3.382044  2.894929       1.107480  355.6582 135.4805 321.7646 69.97830 33.89362       152.4858 
1 1 1 -12 18 5  o 674.9008 48.18651 12.48728       1.609510  13.21466       2.192859  11.63777       2.369807  700.2522 62.51193 649.5493 73.34861 50.70288       96.37302 
1 1 1 -12 18 6  o 337.1614 63.08731 3.381135       1.060081  3.131568       1.847445  3.503643       1.294378  322.9770 101.4286 351.3459 75.04854 -28.36887      126.1746 
1 1 1 -12 18 7  o 259.3601 67.82692 1.854264       1.187991  -1.561978      3.094080  2.444978       1.286608  228.8888 107.0863 289.8315 83.27355 -60.94272      135.6538 
1 1 1 -12 18 8  o 321.1355 73.57188 3.286818       1.241887  1.683455       3.301761  3.551028       1.340309  291.6986 125.0363 350.5724 77.57063 -58.87375      147.1438 
1 1 1 -12 18 9  o 221.3183 65.79344 0.7669402      1.089729  0.7625986      2.318084  0.7681718      1.234662  242.1153 104.2929 200.5212 80.23778 41.59409       131.5869 
1 1 1 -12 18 10 o 284.0512 67.62284 2.618582       1.182038  0.1302105      2.842542  3.138839       1.299745  242.5548 109.3844 325.5476 79.53903 -82.99287      135.2457 
1 1 1 -12 18 11 o 410.4176 68.95617 5.196756       1.365755  6.010632       2.298849  4.752789       1.697880  426.7218 106.6932 394.1133 87.38633 32.60846       137.9123 
1 1 1 -12 18 12 o 537.9714 58.17600 8.702997       1.485022  8.926433       2.410129  8.566256       1.885451  531.9500 92.87141 543.9929 70.09058 -12.04297      116.3520 
1 1 1 -12 18 13 o 226.5380 69.59032 1.134015       1.159966  -0.4353351     3.683015  1.306826       1.222164  237.1767 112.7259 215.8993 81.63413 21.27736       139.1806 
1 1 1 -12 18 14 o 152.4481 55.83986 -3.434872      1.220913  -3.564604      3.586544  -3.417868      1.298464  198.4231 98.00774 106.4731 53.54292 91.95000       111.6797 
1 1 1 -12 18 15 o 381.0867 89.59599 6.602304       2.027239  6.626153       2.539153  6.560376       3.366734  403.8061 117.2651 358.3674 135.4941 45.43866       179.1920 
1 1 1 -12 18 16 o 213.9746 65.34553 1.019603       1.266223  1.962888       2.034715  0.4234098      1.617616  239.7567 100.2305 188.1926 83.86893 51.56412       130.6911 
1 1 1 -12 19 1  o 596.0525 61.52446 8.535321       1.513377  7.263344       1.684485  13.85939       3.446269  513.9519 66.28293 678.1530 103.6707 -164.2011      123.0489 
1 1 1 -12 19 2  o 251.0066 65.73977 1.715060       1.107149  2.275371       1.186450  -2.061047      3.080045  280.7630 79.73748 221.2501 104.5409 59.51288       131.4795 
1 1 1 -12 19 3  f 266.4804 71.62350 1.892033       1.233741  2.241479       1.351456  0.1441848      3.022482  277.9973 86.66147 254.9634 114.0592 23.03389       143.2470 
1 1 1 -12 19 4  o 375.4496 81.80463 3.302809       1.283786  7.120360       3.488966  2.705007       1.380648  448.0012 139.1751 302.8982 86.01323 145.1030       163.6093 
1 1 1 -12 19 5  o 409.5610 80.93207 5.794809       1.712539  4.201549       3.440579  6.319549       1.974514  355.1791 136.3246 463.9429 87.26739 -108.7638      161.8641 
1 1 1 -12 19 6  o 366.8830 66.31035 5.185982       1.259668  0.4438713      3.306895  5.990857       1.362382  265.1639 118.9149 468.6021 58.71535 -203.4381      132.6207 
1 1 1 -12 19 7  o 297.8420 66.43958 3.048307       1.225973  -1.023971      3.177706  3.760443       1.328851  235.1740 109.5259 360.5100 75.23923 -125.3360      132.8792 
1 1 1 -12 19 8  o 232.3025 71.49821 0.3921775      1.179938  2.165311       2.946946  0.5364574E-01  1.287660  289.1120 120.7233 175.4930 76.64106 113.6191       142.9964 
1 1 1 -12 19 9  o 312.3470 77.92641 3.211498       1.489580  2.688687       2.884185  3.401679       1.739536  298.2846 121.4553 326.4095 97.66637 -28.12497      155.8528 
1 1 1 -12 19 10 o 218.2812 67.50372 0.6276441      1.072657  0.9562812      2.805300  0.5713676      1.160872  251.2245 111.2833 185.3378 76.43974 65.88667       135.0074 
1 1 1 -12 19 11 o 622.3978 58.19355 11.65604       1.719621  12.28111       2.843222  11.29551       2.159332  621.0886 93.30619 623.7071 69.56947 -2.618530      116.3871 
1 1 1 -12 19 12 o 316.8179 74.33202 3.796373       1.434935  2.948101       2.413486  4.260177       1.784613  282.9156 112.5186 350.7202 97.16258 -67.80457      148.6640 
1 1 1 -12 19 13 o 271.9233 78.45393 2.661911       1.530175  2.855272       3.637494  2.620337       1.686673  272.8973 123.3409 270.9492 96.99024 1.948029       156.9079 
1 1 1 -12 19 14 o 237.2473 64.56846 1.584931       1.363434  -1.747485      2.347427  3.281458       1.674916  176.2806 85.36568 298.2140 96.89708 -121.9334      129.1369 
1 1 1 -12 19 15 f 178.1839 59.50670 -0.5691397     1.344510  -0.2192478     2.243986  -0.7650964     1.679319  193.0751 90.60592 163.2927 77.16707 29.78244       119.0134 
1 1 1 -12 19 16 o 290.2468 71.09961 3.632241       1.368400  2.401638       2.058188  4.607156       1.831933  242.6354 101.0667 337.8581 100.0307 -95.22269      142.1992 
1 1 1 -12 20 1  o 213.0213 54.88974 1.081839       0.8207390 1.740789       1.106822  0.2769008      1.223299  246.1208 78.64989 179.9217 76.58805 66.19911       109.7795 
1 1 1 -12 20 2  o 310.6437 60.32983 2.903193       0.9764516 2.849129       1.444536  2.948680       1.325015  306.6854 88.27155 314.6020 82.26111 -7.916565      120.6597 
1 1 1 -12 20 3  o 434.5702 47.78473 4.918485       0.9691054 7.975637       1.604464  3.162565       1.215972  539.3603 59.76255 329.7801 74.57854 209.5802       95.56946 
1 1 1 -12 20 4  o 331.3307 75.60152 3.766163       1.388473  1.659766       3.588289  4.137084       1.505769  289.2860 127.0950 373.3753 81.90990 -84.08923      151.2030 
1 1 1 -12 20 5  o 234.6919 75.09610 -0.9023211     2.093227  -4.301086      3.134676  1.832873       2.812070  191.7894 94.12140 277.5943 117.0421 -85.80495      150.1922 
1 1 1 -12 20 6  o 394.6035 73.97433 5.985781       1.626636  2.281733       3.391092  7.092759       1.853834  295.0068 126.5925 494.2002 76.57108 -199.1934      147.9487 
1 1 1 -12 20 7  o 326.4536 66.79140 3.934932       1.180367  0.6019430      3.246219  4.442739       1.267099  257.3104 116.3870 395.5969 65.56247 -138.2864      133.5828 
1 1 1 -12 20 8  o 262.8196 72.86724 1.531847       1.106946  3.399297       2.734843  1.165966       1.210538  312.1700 121.0725 213.4693 81.11714 98.70068       145.7345 
1 1 1 -12 20 9  o 419.1722 88.39483 6.098523       1.770392  8.344521       3.875858  5.506362       1.990138  428.8431 147.5317 409.5013 97.41147 19.34180       176.7897 
1 1 1 -12 20 10 o 310.4002 81.41219 3.255185       1.411362  4.413180       3.763849  3.065721       1.522449  317.3138 134.6855 303.4867 91.49637 13.82703       162.8244 
1 1 1 -12 20 11 o 387.8779 74.85158 5.692155       1.471080  5.375169       2.750387  5.819176       1.741050  350.4589 124.0233 425.2969 83.84067 -74.83798      149.7032 
1 1 1 -12 20 12 o 264.2085 78.81158 2.163365       1.472793  4.540480       3.435843  1.628257       1.630155  300.0546 128.0550 228.3623 91.90743 71.69226       157.6232 
1 1 1 -12 20 13 o 179.2195 62.24931 -1.103043      1.350441  -0.9857654     3.481628  -1.123812      1.465145  211.8182 102.9022 146.6208 70.07891 65.19740       124.4986 
1 1 1 -12 20 14 o 263.5812 73.65356 2.729415       1.398351  3.425952       2.397702  2.370389       1.721417  276.5914 111.4124 250.5710 96.36736 26.02042       147.3071 
1 1 1 -12 20 15 o 282.1015 74.86118 3.591452       1.435492  3.858489       2.237098  3.404539       1.871626  283.9565 109.6767 280.2465 101.9206 3.710083       149.7224 
1 1 1 -12 21 1  o 174.1695 56.33128 -0.1116920     0.9479561 0.4717000      0.9943264 -5.932521      3.140806  172.8721 70.95596 175.4668 87.51060 -2.594696      112.6626 
1 1 1 -12 21 2  o 190.6862 52.52896 0.8038083      0.7469167 0.1048147      1.300211  1.148092       0.9125052 176.0493 76.94537 205.3230 71.53026 -29.27364      105.0579 
1 1 1 -12 21 3  o 143.4940 46.63089 -0.3694229     0.6830321 -0.5741934     1.358195  -0.3001044     0.7902296 160.0175 73.48297 126.9705 57.42834 33.04703       93.26179 
1 1 1 -12 21 4  o 196.3332 60.77597 0.4025703      1.066258  -5.684403      3.443745  1.047973       1.121362  187.4414 93.18208 205.2249 78.05109 -17.78352      121.5519 
1 1 1 -12 21 5  o 268.3201 79.55885 1.909367       1.556624  1.410878       3.903962  2.003601       1.697392  278.0079 126.4907 258.6323 96.53264 19.37561       159.1177 
1 1 1 -12 21 6  o 311.7311 82.54474 2.474319       1.123242  5.635041       4.077374  2.214752       1.168454  354.7865 144.4296 268.6756 79.96651 86.11093       165.0895 
1 1 1 -12 21 7  o 469.4434 85.14301 6.723574       1.778644  11.90835       3.787669  5.256828       2.014580  544.3265 137.4242 394.5603 100.5580 149.7662       170.2860 
1 1 1 -12 21 8  o 514.8882 86.05224 10.97608       2.279050  12.75147       2.852263  7.840930       3.790280  628.3653 92.41984 401.4112 145.1844 226.9541       172.1045 
1 1 1 -12 21 9  o 373.6619 87.07977 3.564514       1.712038  12.23045       3.918802  1.520362       1.903278  514.1207 144.5337 233.2032 97.16770 280.9176       174.1595 
1 1 1 -12 21 10 o 345.0087 84.03116 5.822664       1.989599  3.687621       4.485584  6.345594       2.219920  280.0215 130.3173 409.9958 106.1242 -129.9743      168.0623 
1 1 1 -12 21 11 o 205.6946 65.13163 0.7764323      1.300806  0.8527460      2.447269  0.7463813      1.535713  217.2313 99.34382 194.1579 84.25747 23.07343       130.2633 
1 1 1 -12 21 12 o 341.3058 88.23826 5.051988       1.693128  8.691700       4.075329  4.292696       1.861374  354.1224 144.3027 328.4892 101.5908 25.63321       176.4765 
1 1 1 -12 21 13 o 270.1663 76.75664 3.242202       1.538378  3.191140       3.671340  3.253077       1.694295  255.3568 118.5227 284.9758 97.56382 -29.61900      153.5133 
1 1 1 -12 21 14 o 244.6517 70.03356 2.539674       1.335603  2.705265       2.085785  2.424588       1.738851  246.7421 102.1725 242.5613 95.81010 4.180771       140.0671 
1 1 1 -12 22 1  o 207.5339 54.54267 1.121942       0.8152266 0.3200665      1.261260  1.697339       1.068402  178.2607 76.85780 236.8071 77.41116 -58.54636      109.0853 
1 1 1 -12 22 2  o 276.6661 56.58271 2.534836       0.8718091 1.573098       1.519676  3.006623       1.064377  234.5009 90.44565 318.8313 68.01467 -84.33037      113.1654 
1 1 1 -12 22 3  o 201.2327 69.44077 -0.3238930     0.8518796 1.747690       3.968230  -0.4239750     0.8722148 274.0243 125.7510 128.4410 58.94711 145.5833       138.8815 
1 1 1 -12 22 4  o 290.8480 74.43588 3.068466       1.396356  1.410686       3.407717  3.402984       1.530769  260.3098 118.3378 321.3862 90.32700 -61.07639      148.8718 
1 1 1 -12 22 5  o 222.8392 69.82402 0.8789193      1.423685  -0.6392633     3.282935  1.230564       1.579983  225.4488 106.9393 220.2297 89.80852 5.219131       139.6480 
1 1 1 -12 22 6  o 177.1974 62.05920 -0.8219052     1.077701  -2.894834      4.000979  -0.6597392     1.119062  215.4605 105.8586 138.9344 64.80219 76.52617       124.1184 
1 1 1 -12 22 7  o 177.7686 60.26634 -1.303735      0.9282861 1.897664       2.569421  -1.784326      0.9955275 249.3783 108.6028 106.1589 52.28350 143.2195       120.5327 
1 1 1 -12 22 8  o 280.5553 73.38876 2.672844       1.186202  4.131975       2.661025  2.310997       1.325146  301.7860 118.7394 259.3246 86.28208 42.46136       146.7775 
1 1 1 -12 22 9  o 190.7778 63.84660 -0.5441916     1.602932  0.5659956      2.485746  -1.334458      2.097228  211.4879 97.93602 170.0678 81.93956 41.42010       127.6932 
1 1 1 -12 22 10 f 250.9951 117.8911 2.746865       3.813345  2.746865       3.813345  0.000000       0.000000  250.9951 117.8911 ?        ?        ?              ?        
1 1 1 -12 22 11 f 276.7475 79.41188 3.429042       1.896474  1.030093       2.623663  6.053957       2.744450  215.4003 100.0509 338.0948 123.3483 -122.6945      158.8238 
1 1 1 -12 22 12 o 187.6661 82.90155 0.7335817      1.546451  0.000000       0.000000  0.7335817      1.546451  ?        ?        187.6661 82.90155 ?              ?        
1 1 1 -12 22 13 o 275.3489 73.92159 3.944509       1.550691  2.774260       3.201073  4.303340       1.772562  234.5718 109.4734 316.1261 99.36381 -81.55424      147.8432 
1 1 1 -12 23 1  o 342.6655 60.09851 3.592624       1.158279  1.450740       1.489281  6.871658       1.842687  221.8594 88.33960 463.4716 81.50729 -241.6122      120.1970 
1 1 1 -12 23 2  o 317.3745 56.75941 3.205713       0.8729091 3.494809       1.532360  3.066834       1.062079  317.6674 90.75813 317.0815 68.18711 0.5859375      113.5188 
1 1 1 -12 23 3  f 292.2916 82.80347 1.549641       0.9497716 8.823612       4.084950  1.133948       0.9765334 386.0621 148.4562 198.5210 73.39223 187.5411       165.6069 
1 1 1 -12 23 4  o 150.8885 52.09893 -1.064568      1.013385  -6.251539      3.130908  -0.4575744     1.071039  162.4859 81.89270 139.2911 64.42654 23.19479       104.1979 
1 1 1 -12 23 5  o 350.4380 92.09165 6.582398       2.717442  10.56578       3.608599  1.364623       4.130053  454.3641 141.6051 246.5119 117.7773 207.8522       184.1833 
1 1 1 -12 23 6  o 249.5202 80.90440 1.288386       1.127309  -10.06668      4.310463  2.122061       1.167958  ?        ?        249.5202 80.90440 ?              ?        
1 1 1 -12 23 7  o 187.8528 59.53438 0.6381409      1.004299  -1.044368      2.789186  0.8887720      1.076505  191.7918 92.92113 183.9138 74.45156 7.877960       119.0688 
1 1 1 -12 23 8  o 221.3841 67.62121 1.305490       1.123311  3.061652       2.594046  0.9001722      1.246216  255.7608 110.2480 187.0074 78.33186 68.75337       135.2424 
1 1 1 -12 23 9  o 252.0014 76.69724 2.971532       1.786842  3.839232       2.567758  2.156846       2.488078  271.8003 113.0232 232.2026 103.7093 39.59770       153.3945 
1 1 1 -12 23 10 o 193.1087 63.33029 0.4894546      1.498590  -3.787004      3.724272  1.315642       1.636962  181.4751 91.18603 204.7424 87.90911 -23.26736      126.6606 
1 1 1 -12 23 11 o 225.8858 71.07057 1.840656       1.361245  3.364365       3.330244  1.535010       1.491537  243.1832 112.8760 208.5885 86.38926 34.59476       142.1411 
1 1 1 -12 23 12 o 189.0861 64.17201 0.7581002E-01  1.333174  2.891999       3.047175  -0.5908669     1.482601  229.1874 106.9099 148.9847 71.01029 80.20276       128.3440 
1 1 1 -12 24 1  o 183.1196 52.37560 0.9115504      0.7426543 0.5319169      1.343573  1.078567       0.8911673 177.5402 77.89101 188.6991 70.04143 -11.15883      104.7512 
1 1 1 -12 24 2  o 164.6513 56.82529 -0.8428974     1.214440  -3.352436      3.294794  -0.4483437     1.306424  179.8253 89.67561 149.4772 69.81933 30.34808       113.6506 
1 1 1 -12 24 3  o 217.1198 70.63951 -0.1926067E-01 0.8135991 6.210115       3.351374  -0.4093823     0.8386885 312.4976 129.4657 121.7421 56.55437 190.7555       141.2790 
1 1 1 -12 24 4  o 202.7787 71.18438 -2.146824      2.831305  -5.752135      4.108460  1.114003       3.907253  179.9949 91.04940 225.5625 109.4480 -45.56764      142.3688 
1 1 1 -12 24 5  o 179.7946 62.45725 -0.9280837     1.117353  2.479484       3.115016  -1.431260      1.197011  236.9908 109.7064 122.5984 59.73397 114.3925       124.9145 
1 1 1 -12 24 6  o 193.1957 65.55031 0.2002780      1.632875  -1.853925      4.163832  0.5735995      1.775060  199.5310 99.70505 186.8603 85.12506 12.67073       131.1006 
1 1 1 -12 24 7  o 323.9288 75.58324 4.163199       1.219438  6.896166       2.898829  3.575591       1.344154  336.1276 126.0152 311.7300 83.49530 24.39758       151.1665 
1 1 1 -12 24 8  o 238.2851 67.40254 2.405149       1.172232  2.373231       2.690349  2.412629       1.302360  227.9182 104.2044 248.6519 85.52108 -20.73369      134.8051 
1 1 1 -12 24 9  o 254.5332 77.44219 3.704013       1.840872  4.213771       2.449036  3.041883       2.791159  271.7721 111.4317 237.2943 107.5739 34.47772       154.8844 
1 1 1 -12 24 10 o 302.0292 98.15112 4.117246       1.718526  0.000000       0.000000  4.117246       1.718526  ?        ?        302.0292 98.15112 ?              ?        
1 1 1 -12 24 11 o 186.9159 62.36513 0.8841746      1.399802  -0.7661331     3.814445  1.141009       1.504789  187.3883 93.90114 186.4434 82.09880 0.9449463      124.7303 
1 1 1 -12 25 1  o 182.4398 56.67827 0.8883276      0.8061147 -0.1710569     2.718577  0.9904529      0.8440758 187.1774 90.93105 177.7022 67.68492 9.475235       113.3565 
1 1 1 -12 25 2  o 168.5117 54.66895 0.5045677      0.8091202 -2.906097      3.356363  0.7150083      0.8337083 174.2822 87.43781 162.7411 65.64606 11.54114       109.3379 
1 1 1 -12 25 3  o 174.0547 62.72467 -0.4149898     0.8345215 3.612441       4.159681  -0.5838878     0.8518404 232.6895 112.9112 115.4199 54.66800 117.2696       125.4493 
1 1 1 -12 25 4  o 197.8613 64.65450 1.147114       1.369513  -0.8442866     4.076399  1.400481       1.454027  196.4038 98.21830 199.3189 84.10696 -2.915131      129.3090 
1 1 1 -12 25 5  o 217.4765 64.87047 2.048221       1.398957  -1.514723      3.382006  2.783699       1.536577  183.1266 91.24690 251.8264 92.23185 -68.69981      129.7409 
1 1 1 -12 25 6  o 249.6126 63.63846 3.069005       1.195303  0.1919685E-05  3.791237  3.407740       1.259541  197.9034 98.27911 301.3218 80.87416 -103.4184      127.2769 
1 1 1 -12 25 7  o 183.9439 62.53380 0.6044506E-02  1.536893  1.982544       2.727275  -0.9136925     1.860426  212.1929 99.67664 155.6948 75.54118 56.49805       125.0676 
1 1 1 -12 25 8  o 196.3933 58.91045 1.341317       1.219677  -2.607278      2.728727  2.327159       1.363460  159.5239 79.86145 233.2627 86.62513 -73.73875      117.8209 
1 1 1 -12 25 9  o 175.8044 61.96618 -1.362916      2.133035  -3.770402      2.883140  1.548235       3.170416  152.3290 76.98443 199.2798 97.12173 -46.95079      123.9324 
1 1 1 -12 25 10 o 171.7768 80.40796 0.6741443      1.748346  0.000000       0.000000  0.6741443      1.748346  ?        ?        171.7768 80.40796 ?              ?        
1 1 1 -12 26 1  o 180.7549 55.56190 1.064252       0.9953726 -4.212821      3.478738  1.534814       1.038804  160.8901 81.63643 200.6197 75.39226 -39.72957      111.1238 
1 1 1 -12 26 2  o 184.3308 69.17669 1.188198       0.8740010 0.000000       0.000000  1.188198       0.8740010 ?        ?        184.3308 69.17669 ?              ?        
1 1 1 -12 26 3  o 177.2049 69.00863 0.8338885      0.8733063 -4.577141      4.371250  1.058841       0.8912745 ?        ?        177.2049 69.00863 ?              ?        
1 1 1 -12 26 4  o 200.0517 100.2200 1.389247       4.331770  1.389247       4.331770  0.000000       0.000000  200.0517 100.2200 ?        ?        ?              ?        
1 1 1 -12 26 5  o 230.6283 62.16247 2.731363       1.452200  -4.464447      3.555903  4.171735       1.590916  159.9964 81.31600 301.2602 94.04467 -141.2637      124.3249 
1 1 1 -12 26 6  o 182.7566 58.30142 1.136577       1.099893  -0.2169915     2.802719  1.382985       1.195823  175.8917 86.83432 189.6215 77.82047 -13.72980      116.6028 
1 1 1 -12 26 7  o 270.2288 78.19891 1.608063       1.055971  -7.312776      2.949559  2.919550       1.130931  ?        ?        270.2288 78.19891 ?              ?        
1 1 1 -12 26 8  f 171.8485 56.55365 0.8845319      1.186588  -2.018925      3.356302  1.299277       1.268510  162.8729 82.37809 180.8241 77.50556 -17.95122      113.1073 
1 1 1 -12 27 1  o 86.23057 41.98814 -0.7616732     0.5888075 0.000000       0.000000  -0.7616732     0.5888075 ?        ?        86.23057 41.98814 ?              ?        
1 1 1 -12 27 2  o 159.9769 64.63097 0.8470287      0.8094777 0.000000       0.000000  0.8470287      0.8094777 ?        ?        159.9769 64.63097 ?              ?        
1 1 1 -12 27 3  o 194.1653 79.67972 1.694903       1.253538  0.000000       0.000000  1.694903       1.253538  ?        ?        194.1653 79.67972 ?              ?        
1 1 1 -12 27 4  o 196.5639 84.88714 1.961951       1.543607  0.000000       0.000000  1.961951       1.543607  ?        ?        196.5639 84.88714 ?              ?        
1 1 1 -12 27 5  o 145.0768 68.09727 0.1594737      1.268812  0.000000       0.000000  0.1594737      1.268812  ?        ?        145.0768 68.09727 ?              ?        
1 1 1 -12 27 6  o 213.5778 66.97262 2.688607       1.193089  6.709568       3.525841  2.168654       1.267884  219.9866 106.0524 207.1690 81.81820 12.81767       133.9452 
1 1 1 -12 28 1  o 209.4156 68.47947 1.868095       0.8360553 0.000000       0.000000  1.868095       0.8360553 ?        ?        209.4156 68.47947 ?              ?        
1 1 1 -12 28 2  o 115.7442 53.08270 0.5275792E-01  0.7056011 0.000000       0.000000  0.5275792E-01  0.7056011 ?        ?        115.7442 53.08270 ?              ?        
1 1 1 -11 0  1  o 931.8242 36.91273 22.23914       2.445011  22.23914       2.445011  22.23914       2.445011  931.8242 52.20249 931.8242 52.20249 -0.000000      0.000000 
1 1 1 -11 0  2  o 2707.718 50.75624 186.8357       9.824288  186.8357       9.824288  186.8357       9.824288  2707.718 71.78017 2707.718 71.78017 -0.000000      0.000000 
1 1 1 -11 0  3  o 1184.242 36.30346 35.78123       3.064969  35.78123       3.064969  35.78123       3.064969  1184.242 51.34085 1184.242 51.34085 0.000000       0.000000 
1 1 1 -11 0  4  o 5657.760 91.86300 822.6435       37.16776  822.6435       37.16776  822.6435       37.16776  5657.760 129.9139 5657.760 129.9139 -0.000000      0.000000 
1 1 1 -11 0  5  o 1805.363 40.48038 82.95706       5.220568  82.95706       5.220568  82.95706       5.220568  1805.363 57.24791 1805.363 57.24791 0.000000       0.000000 
1 1 1 -11 0  6  o 250.9882 67.34055 2.168413       1.136502  2.168413       1.136502  2.168413       1.136502  250.9882 95.23391 250.9882 95.23391 0.000000       0.000000 
1 1 1 -11 0  7  o 2316.003 45.78296 136.5324       7.578328  136.5324       7.578328  136.5324       7.578328  2316.003 64.74689 2316.003 64.74689 0.000000       0.000000 
1 1 1 -11 0  8  o 1720.602 39.77938 75.38928       4.888596  75.38928       4.888596  75.38928       4.888596  1720.602 56.25654 1720.602 56.25654 -0.000000      0.000000 
1 1 1 -11 0  9  o 741.8613 54.29184 14.46249       2.812994  14.46249       2.812994  14.46249       2.812994  741.8613 76.78026 741.8613 76.78026 -0.000000      0.000000 
1 1 1 -11 0  10 o 3992.939 68.01433 409.6484       19.41879  409.6484       19.41879  409.6484       19.41879  3992.939 96.18679 3992.939 96.18679 -0.000000      0.000000 
1 1 1 -11 0  11 o 2231.267 44.99830 127.2241       7.175406  127.2241       7.175406  127.2241       7.175406  2231.267 63.63721 2231.267 63.63721 0.000000       0.000000 
1 1 1 -11 0  12 o 239.8830 74.55377 2.129510       1.339960  2.129510       1.339960  2.129510       1.339960  239.8830 105.4350 239.8830 105.4350 0.000000       0.000000 
1 1 1 -11 0  13 o 1106.906 37.42430 31.46174       2.950489  31.46174       2.950489  31.46174       2.950489  1106.906 52.92596 1106.906 52.92596 0.000000       0.000000 
1 1 1 -11 0  14 o 2241.602 46.52510 129.6026       7.452413  129.6026       7.452413  129.6026       7.452413  2241.602 65.79642 2241.602 65.79642 0.000000       0.000000 
1 1 1 -11 0  15 o 536.5362 43.03434 7.693996       1.598264  7.693996       1.598264  7.693996       1.598264  536.5362 60.85974 536.5362 60.85974 0.000000       0.000000 
1 1 1 -11 0  16 o 135.2872 63.87850 -0.4058802     1.695282  -0.4058802     1.695282  -0.4058802     1.695282  135.2872 90.33784 135.2872 90.33784 0.000000       0.000000 
1 1 1 -11 0  17 f 908.1698 56.96837 22.45188       3.637192  22.45188       3.637192  22.45188       3.637192  908.1698 80.56544 908.1698 80.56544 -0.000000      0.000000 
1 1 1 -11 0  18 o 201.6870 82.77107 1.638272       1.957350  1.638272       1.957350  1.638272       1.957350  201.6870 117.0560 201.6870 117.0560 -0.000000      0.000000 
1 1 1 -11 0  19 o 170.7444 75.62303 0.8997889      1.910586  0.8997889      1.910586  0.8997889      1.910586  170.7444 106.9471 170.7444 106.9471 -0.000000      0.000000 
1 1 1 -11 0  20 o 140.5913 67.91273 -0.5076481     2.140399  -0.5076481     2.140399  -0.5076481     2.140399  140.5913 96.04311 140.5913 96.04311 -0.000000      0.000000 
1 1 1 -11 0  21 o 335.8299 111.5382 6.161942       3.011803  6.161942       3.011803  6.161942       3.011803  335.8299 157.7388 335.8299 157.7388 -0.000000      0.000000 
1 1 1 -11 0  22 o 211.2919 95.39811 3.138639       3.212381  3.138639       3.212381  3.138639       3.212381  211.2919 134.9133 211.2919 134.9133 0.000000       0.000000 
1 1 1 -11 1  1  o 1349.580 48.45711 47.23787       3.044525  48.38007       3.684337  44.77872       5.406072  1379.131 52.76796 1320.028 81.28905 59.10217       96.91422 
1 1 1 -11 1  2  o 2086.321 43.70329 110.9058       4.616060  110.5940       6.541470  111.2150       6.514802  2083.354 62.01955 2089.289 61.59126 -5.934570      87.40657 
1 1 1 -11 1  3  o 1647.434 39.27482 69.04208       3.273788  72.31173       4.663965  65.86641       4.596446  1686.011 54.64006 1608.856 56.43146 77.15527       78.54964 
1 1 1 -11 1  4  o 369.7760 58.13670 3.655002       1.067266  2.816119       1.510863  4.490514       1.507826  326.3417 88.99247 413.2103 74.83211 -86.86856      116.2734 
1 1 1 -11 1  5  o 2181.370 54.98765 122.1449       5.701966  119.4535       9.889635  123.4851       6.978681  2160.063 90.43367 2202.677 62.58048 -42.61377      109.9753 
1 1 1 -11 1  6  o 1467.257 37.35398 54.71285       2.773409  56.78683       3.927793  52.65066       3.916617  1495.090 51.89167 1439.424 53.74507 55.66565       74.70795 
1 1 1 -11 1  7  o 2254.782 45.07470 129.4229       5.144588  126.6455       7.270951  132.2074       7.280148  2230.428 64.39014 2279.135 63.09377 -48.70728      90.14939 
1 1 1 -11 1  8  o 525.8693 38.82680 7.111095       1.017684  7.402166       1.439887  6.820561       1.438558  536.9177 53.69065 514.8210 56.10164 22.09668       77.65359 
1 1 1 -11 1  9  o 517.7046 61.61146 7.061746       1.551167  8.076377       2.231990  6.113901       2.157280  555.5849 81.80026 479.8243 92.15533 75.76059       123.2229 
1 1 1 -11 1  10 o 995.0411 44.30708 25.66449       2.081214  24.47378       3.594593  26.26492       2.552578  974.4216 73.40414 1015.661 49.64171 -41.23889      88.61415 
1 1 1 -11 1  11 o 2495.797 57.95972 157.4225       6.941683  150.9069       8.475435  170.7003       12.09895  2425.585 69.01792 2566.009 93.13348 -140.4236      115.9194 
1 1 1 -11 1  12 o 2012.169 42.93141 103.7398       4.370166  108.7291       6.198888  98.80965       6.161974  2060.784 59.41520 1963.554 61.98595 97.23022       85.86282 
1 1 1 -11 1  13 o 1033.349 35.30217 27.22099       1.819230  28.04023       2.826225  26.64138       2.377205  1045.136 53.59364 1021.562 45.96405 23.57416       70.60433 
1 1 1 -11 1  14 o 295.4124 63.96650 2.299563       1.051068  1.936862       1.443570  2.708787       1.533358  274.6856 89.99107 316.1391 90.93106 -41.45349      127.9330 
1 1 1 -11 1  15 o 203.7834 56.52797 0.3000228      0.9486386 1.535799       1.335685  -0.9578049     1.347549  249.8308 86.56934 157.7360 72.71447 92.09483       113.0559 
1 1 1 -11 1  16 o 313.8028 74.35841 2.579738       1.411420  1.857198       1.930555  3.409379       2.068695  279.9564 103.2533 347.6493 107.0302 -67.69290      148.7168 
1 1 1 -11 1  17 o 269.9335 83.38155 0.1628992      1.946747  1.297382       3.682638  -0.2770814     2.293385  312.3537 132.9209 227.5134 100.7073 84.84030       166.7631 
1 1 1 -11 1  18 o 340.3597 74.63132 3.166904       1.417307  2.245346       1.810162  4.626919       2.278425  288.1485 100.7263 392.5710 110.1524 -104.4225      149.2626 
1 1 1 -11 1  19 o 531.0356 59.76213 8.000358       1.546218  7.458693       2.072246  8.680717       2.322444  511.7327 82.81553 550.3386 86.18373 -38.60596      119.5243 
1 1 1 -11 1  20 o 436.5429 65.46102 5.841841       1.455219  8.929863       2.113740  3.059401       2.006431  559.7594 76.59731 313.3264 106.1764 246.4330       130.9220 
1 1 1 -11 1  21 o 388.5366 84.20898 4.971811       2.135129  1.362855       2.992656  8.713368       3.047139  270.7631 117.5608 506.3100 120.5988 -235.5469      168.4180 
1 1 1 -11 1  22 o 588.7181 100.0063 13.62558       2.922756  13.67573       4.520988  13.58956       3.830984  566.7164 153.6928 610.7197 127.9983 -44.00330      200.0126 
1 1 1 -11 2  1  o 392.0845 79.51500 4.143995       1.770614  5.715430       2.322203  1.961737       2.736560  462.2997 101.9580 321.8693 122.0455 140.4304       159.0300 
1 1 1 -11 2  2  o 455.3076 72.21958 5.544126       1.623665  5.656150       2.312834  5.435266       2.279939  459.9200 102.0016 450.6950 102.2660 9.225006       144.4392 
1 1 1 -11 2  3  o 3318.534 58.53467 281.8703       9.832457  288.4537       13.91899  275.3129       13.89144  3357.605 81.88310 3279.463 83.66831 78.14282       117.0693 
1 1 1 -11 2  4  o 544.5852 43.99087 7.639631       1.188580  7.041771       1.653827  8.278315       1.709359  522.0134 63.91355 567.1569 60.46358 -45.14349      87.98174 
1 1 1 -11 2  5  o 1729.965 39.85172 76.09109       3.489946  74.58433       4.924009  77.61202       4.947130  1712.699 56.78770 1747.232 55.92668 -34.53369      79.70343 
1 1 1 -11 2  6  o 3766.077 79.67361 365.6814       14.29698  366.7498       17.50945  363.5439       24.76508  3785.163 91.37015 3746.991 130.5490 38.17261       159.3472 
1 1 1 -11 2  7  o 934.4882 41.83146 21.72348       1.866500  20.57558       2.273610  24.09615       3.268752  898.6081 50.17644 970.3682 66.94630 -71.76013      83.66291 
1 1 1 -11 2  8  o 979.8945 34.81333 24.42960       1.724156  24.67930       2.445953  24.18298       2.430767  985.5098 49.02341 974.2791 49.44267 11.23071       69.62666 
1 1 1 -11 2  9  o 1617.574 47.77665 66.99845       3.692949  67.34557       4.536287  66.31633       6.359065  1626.223 55.09814 1608.926 78.06811 17.29700       95.55331 
1 1 1 -11 2  10 o 1314.884 51.33009 44.04431       3.416986  0.000000       0.000000  44.04431       3.416986  ?        ?        1314.884 51.33009 ?              ?        
1 1 1 -11 2  11 o 953.1914 46.94757 23.75286       2.056788  24.32096       2.473617  22.48021       3.702326  975.4498 50.26001 930.9329 79.31097 44.51691       93.89514 
1 1 1 -11 2  12 o 1475.511 38.17927 55.61854       2.851455  54.50355       3.984862  56.78856       4.082027  1460.387 53.89662 1490.635 54.09049 -30.24744      76.35854 
1 1 1 -11 2  13 o 763.8127 37.68303 14.92384       1.443046  16.05864       2.153236  13.99862       1.944275  789.9357 54.16861 737.6898 52.40041 52.24597       75.36605 
1 1 1 -11 2  14 o 1504.740 37.24281 58.22555       2.792692  57.97441       4.343641  58.40252       3.646202  1499.948 57.19975 1509.533 47.71055 -9.584961      74.48562 
1 1 1 -11 2  15 o 409.2338 61.08215 4.479413       1.210970  5.481106       1.915757  3.812832       1.562787  446.5497 87.86916 371.9178 84.87123 74.63199       122.1643 
1 1 1 -11 2  16 o 349.3859 76.87431 3.091363       1.625963  5.443267       2.443864  1.223419       2.177957  433.2686 110.9349 265.5033 106.4523 167.7653       153.7486 
1 1 1 -11 2  17 o 282.1438 83.42017 1.166359       1.735658  1.366985       3.651154  1.107785       1.972822  312.5545 132.6590 251.7332 101.1795 60.82127       166.8403 
1 1 1 -11 2  18 o 597.3018 50.77821 9.628401       1.492851  11.29087       2.215233  8.245250       2.020588  646.3582 68.75136 548.2454 74.74596 98.11273       101.5564 
1 1 1 -11 2  19 o 412.5215 72.47485 5.177708       1.512209  4.541656       2.099645  5.863236       2.179777  384.0693 104.9818 440.9738 99.94624 -56.90445      144.9497 
1 1 1 -11 2  20 o 398.4355 69.14284 5.007834       1.429338  6.491842       1.992643  3.434991       2.051417  468.1426 87.28623 328.7284 107.2569 139.4142       138.2857 
1 1 1 -11 2  21 o 290.3208 79.65309 2.456672       1.710369  3.272353       2.379965  1.585453       2.459656  316.5589 114.9610 264.0827 110.2834 52.47620       159.3062 
1 1 1 -11 2  22 f 203.7561 69.97166 -2.653485      2.195513  -3.789885      3.739504  -2.055711      2.712168  211.0257 103.4070 196.4865 94.29279 14.53912       139.9433 
1 1 1 -11 3  1  o 653.3915 59.11808 11.46295       1.624235  11.83400       1.884805  10.39239       3.201540  679.7701 55.24517 627.0129 104.5359 52.75714       118.2362 
1 1 1 -11 3  2  o 1547.348 47.55220 61.16642       3.491382  61.22787       4.264289  61.04144       6.080937  1551.478 54.28970 1543.217 78.08634 8.260376       95.10441 
1 1 1 -11 3  3  o 2670.285 63.36780 185.4479       8.003142  190.6565       9.797641  175.0040       13.87366  2733.698 70.79251 2606.872 105.1206 126.8264       126.7356 
1 1 1 -11 3  4  o 2596.366 58.98204 169.8045       7.335091  180.2794       12.78334  164.6627       8.956210  2651.215 95.23923 2541.518 69.60613 109.6973       117.9641 
1 1 1 -11 3  5  o 1759.076 49.00156 78.60726       4.110830  79.55382       7.148416  78.13956       5.024819  1765.051 79.99611 1753.100 56.61481 11.95117       98.00313 
1 1 1 -11 3  6  o 2740.177 50.76596 191.4070       7.042148  188.7856       9.956786  194.0309       9.961417  2721.276 72.27082 2759.077 71.31380 -37.80151      101.5319 
1 1 1 -11 3  7  o 375.1237 47.60595 3.709406       0.8667698 3.892309       1.180934  3.495805       1.276196  386.2046 62.53633 364.0429 71.79492 22.16171       95.21189 
1 1 1 -11 3  8  o 1163.691 34.92715 34.42335       2.057365  35.09956       2.906656  33.74444       2.912459  1175.196 48.85395 1152.185 49.92911 23.01099       69.85430 
1 1 1 -11 3  9  o 2115.702 53.11584 113.6361       5.391027  111.5615       6.611697  117.7513       9.312054  2090.909 62.45888 2140.495 85.93055 -49.58643      106.2317 
1 1 1 -11 3  10 f 1106.365 50.45910 31.18302       2.826321  0.000000       0.000000  31.18302       2.826321  ?        ?        1106.365 50.45910 ?              ?        
1 1 1 -11 3  11 o 1590.027 55.69215 65.52304       4.431670  55.32328       6.233243  75.94900       6.301977  1460.941 84.63743 1719.113 72.40836 -258.1725      111.3843 
1 1 1 -11 3  12 o 859.0236 35.14258 18.94290       1.506061  18.56696       2.286630  19.23093       2.001516  850.6981 53.36317 867.3491 45.74250 -16.65100      70.28516 
1 1 1 -11 3  13 o 272.2690 58.71120 1.951685       0.9137235 1.230938       1.375547  2.520852       1.222373  238.7128 87.29008 305.8253 78.53956 -67.11246      117.4224 
1 1 1 -11 3  14 o 1083.553 36.12237 30.38812       1.936593  29.21601       3.028268  31.19916       2.519024  1063.292 56.45694 1103.814 45.07678 -40.52197      72.24474 
1 1 1 -11 3  15 o 312.5298 60.46845 2.788434       1.145249  0.3708327      1.833475  4.335195       1.466541  225.2139 94.70815 399.8456 75.20706 -174.6317      120.9369 
1 1 1 -11 3  16 o 422.1782 74.88439 5.106412       1.697739  7.608833       2.438847  2.753647       2.364796  520.9185 96.01402 323.4379 114.9435 197.4805       149.7688 
1 1 1 -11 3  17 o 368.4370 93.04594 2.453762       1.880165  7.424547       4.235886  1.234150       2.098180  476.6385 154.0254 260.2354 104.4335 216.4031       186.0919 
1 1 1 -11 3  18 o 320.8500 64.17461 2.809824       1.228075  0.9112183      1.718256  4.792474       1.755875  232.1756 94.03573 409.5244 87.35445 -177.3489      128.3492 
1 1 1 -11 3  19 o 330.2350 84.29067 2.333620       1.629967  1.191467       1.866363  6.004988       3.346169  243.3457 98.19894 417.1244 137.0279 -173.7787      168.5813 
1 1 1 -11 3  20 o 350.6994 79.95044 4.069058       1.657735  4.869912       2.245003  3.108823       2.458269  386.8687 109.6196 314.5302 116.4123 72.33850       159.9009 
1 1 1 -11 3  21 o 301.3948 81.57999 2.690282       1.887728  4.260626       2.510586  0.6476108      2.863367  351.2803 118.7704 251.5094 111.8694 99.77090       163.1600 
1 1 1 -11 3  22 o 284.3838 86.34757 2.218086       2.413262  -0.8820842     4.084229  3.881043       2.991285  247.9948 118.1069 320.7729 125.9936 -72.77809      172.6951 
1 1 1 -11 4  1  o 2863.213 50.82854 209.2525       7.367592  206.8298       10.41270  211.6815       10.42601  2846.494 72.25529 2879.933 71.50757 -33.43921      101.6571 
1 1 1 -11 4  2  o 1704.289 46.85046 71.40326       3.799104  66.76602       4.575585  81.69579       6.816763  1620.080 55.78615 1788.498 75.28459 -168.4178      93.70093 
1 1 1 -11 4  3  o 1228.307 47.60758 40.34889       2.724112  44.04421       3.370224  33.38475       4.626652  1316.541 50.56392 1140.073 80.67971 176.4679       95.21516 
1 1 1 -11 4  4  o 2605.706 48.79589 173.0378       6.437081  173.9308       9.109167  172.1470       9.097658  2612.456 68.87254 2598.957 69.14280 13.49902       97.59177 
1 1 1 -11 4  5  o 3613.400 76.64490 334.3834       13.21827  331.4178       16.16640  340.3646       22.95904  3598.850 88.72908 3627.950 124.9996 -29.10010      153.2898 
1 1 1 -11 4  6  o 2661.814 62.08794 183.5653       7.835415  188.0843       9.602831  174.5638       13.55316  2716.641 69.82057 2606.988 102.6876 109.6533       124.1759 
1 1 1 -11 4  7  o 2104.152 54.58785 114.6867       5.427250  108.4820       9.436784  117.7533       6.634201  2057.497 90.59436 2150.806 60.92614 -93.30908      109.1757 
1 1 1 -11 4  8  f 1309.403 52.43257 44.03275       3.455259  41.45880       4.917660  46.54243       4.855875  1270.825 76.79517 1347.982 71.40868 -77.15649      104.8651 
1 1 1 -11 4  9  o 2279.194 57.13861 136.0703       6.160371  141.4563       7.568506  125.4974       10.60419  2353.528 63.51950 2204.859 94.99768 148.6692       114.2772 
1 1 1 -11 4  10 o 628.2976 54.93291 10.14700       1.729793  0.000000       0.000000  10.14700       1.729793  ?        ?        628.2976 54.93291 ?              ?        
1 1 1 -11 4  11 o 2258.159 55.57359 130.7058       6.003114  129.1163       7.353717  133.8810       10.39365  2244.344 64.71931 2271.974 90.36098 -27.62988      111.1472 
1 1 1 -11 4  12 o 1099.178 35.05403 31.10328       1.923399  29.32624       2.906574  32.48767       2.565448  1069.523 53.85191 1128.834 44.89000 -59.31030      70.10806 
1 1 1 -11 4  13 o 1024.247 35.99131 27.04885       1.836588  25.96929       2.806828  27.85712       2.428674  1004.438 55.41050 1044.056 45.94749 -39.61761      71.98261 
1 1 1 -11 4  14 o 753.2877 38.63651 14.53978       1.433491  15.44388       2.296232  13.96241       1.834984  770.8790 59.29105 735.6965 49.55492 35.18256       77.27302 
1 1 1 -11 4  15 o 781.1406 45.34893 14.25167       1.589455  20.20949       3.231375  12.35012       1.825570  872.9135 73.81115 689.3677 52.70690 183.5458       90.69787 
1 1 1 -11 4  16 o 486.0091 60.38948 6.755919       1.391338  9.020571       1.941387  4.364446       1.995006  581.6661 67.16016 390.3521 100.3846 191.3140       120.7790 
1 1 1 -11 4  17 o 582.3868 93.93316 7.813176       2.085649  15.74690       5.513994  6.488584       2.253039  688.7577 161.0158 476.0159 96.78669 212.7418       187.8663 
1 1 1 -11 4  18 o 343.6174 64.87164 3.314620       1.267371  5.431579       1.838161  1.396360       1.749770  436.5756 86.22409 250.6592 96.94702 185.9164       129.7433 
1 1 1 -11 4  19 o 266.8496 67.04507 1.808559       1.223043  0.5740011      1.741303  3.010598       1.718217  217.7041 91.96267 315.9951 97.58604 -98.29102      134.0901 
1 1 1 -11 4  20 o 218.1981 66.41409 0.4425150      1.353457  1.066471       1.812869  -0.3432360     2.034380  232.8766 95.72321 203.5195 92.08904 29.35712       132.8282 
1 1 1 -11 4  21 o 253.3846 79.39354 0.7431610      1.851528  0.3691418      2.200375  1.650271       3.426729  224.2602 98.98648 282.5090 124.1572 -58.24875      158.7871 
1 1 1 -11 5  1  o 1866.802 51.14952 88.22803       4.523584  90.90701       8.002346  86.96997       5.483813  1884.905 83.85795 1848.698 58.59127 36.20642       102.2990 
1 1 1 -11 5  2  o 3404.963 57.33928 296.4110       9.882589  289.4942       13.95544  303.3689       13.99684  3364.769 81.92274 3445.157 80.24857 -80.38770      114.6786 
1 1 1 -11 5  3  o 2365.507 54.98922 142.3604       6.210107  141.2964       7.596945  144.5034       10.78139  2355.635 63.70115 2375.379 89.65167 -19.74341      109.9784 
1 1 1 -11 5  4  o 1173.780 44.91263 35.12331       2.459677  35.08926       2.962157  35.19893       4.414216  1175.307 49.78210 1172.254 74.76844 3.052368       89.82526 
1 1 1 -11 5  5  o 748.7402 36.35660 14.31440       1.368612  15.02428       1.941562  13.61331       1.929512  767.4225 50.25020 730.0580 52.55593 37.36456       72.71320 
1 1 1 -11 5  6  o 1512.789 38.22767 58.18839       2.926973  56.64430       4.141287  59.72960       4.137446  1492.644 54.80188 1532.934 53.31203 -40.29016      76.45534 
1 1 1 -11 5  7  o 1261.502 35.87707 40.43445       2.290813  41.59149       3.275806  39.32705       3.204760  1279.172 50.58311 1243.832 50.89209 35.34082       71.75414 
1 1 1 -11 5  8  o 719.4094 52.39634 13.24009       1.895246  13.24009       1.895246  0.000000       0.000000  719.4094 52.39634 ?        ?        ?              ?        
1 1 1 -11 5  9  o 1833.271 58.22057 86.43587       5.400236  90.56584       7.686432  82.41029       7.588679  1877.018 80.88588 1789.523 83.76164 87.49451       116.4411 
1 1 1 -11 5  10 o 956.6336 50.38937 23.39286       2.431834  0.000000       0.000000  23.39286       2.431834  ?        ?        956.6336 50.38937 ?              ?        
1 1 1 -11 5  11 o 249.7409 62.21673 1.433479       0.9773189 1.385195       1.427038  1.476131       1.341225  249.1092 89.20911 250.3725 86.74918 -1.263336      124.4335 
1 1 1 -11 5  12 o 273.2853 56.74392 1.678742       0.8744622 3.166436       1.419759  0.7693990      1.109996  342.6021 82.77855 203.9685 77.63505 138.6337       113.4878 
1 1 1 -11 5  13 o 359.4821 60.15581 3.610478       1.093694  2.550343       1.629663  4.479256       1.475270  309.5442 94.94619 409.4199 73.89253 -99.87564      120.3116 
1 1 1 -11 5  14 o 826.1990 39.25875 17.49027       1.549739  18.34389       2.669345  17.05626       1.903363  838.3875 63.35695 814.0106 46.37774 24.37689       78.51749 
1 1 1 -11 5  15 o 880.2588 41.58125 20.96599       1.733497  17.63498       2.843169  22.93696       2.187025  816.4795 69.44117 944.0381 45.75943 -127.5587      83.16250 
1 1 1 -11 5  16 o 765.6638 44.88628 15.50201       1.724067  15.23297       2.417822  15.78032       2.459100  758.8449 63.51854 772.4827 63.43899 -13.63782      89.77255 
1 1 1 -11 5  17 o 351.3355 69.70935 3.753103       1.461563  1.111758       2.344987  5.430976       1.868992  264.0905 108.7481 438.5806 87.24345 -174.4902      139.4187 
1 1 1 -11 5  18 o 292.9221 67.91338 2.199727       1.301059  0.4790538      1.840557  3.918227       1.839394  222.2831 94.25755 363.5611 97.79788 -141.2780      135.8268 
1 1 1 -11 5  19 o 408.7533 66.39124 5.217686       1.407172  2.977000       2.030998  7.286322       1.951466  312.2843 106.8196 505.2224 78.87182 -192.9381      132.7825 
1 1 1 -11 5  20 f 274.4517 73.59325 2.090283       1.412376  1.560385       1.912621  2.725786       2.094556  251.7596 100.1532 297.1437 107.8573 -45.38408      147.1865 
1 1 1 -11 5  21 o 394.8868 99.43299 5.832900       2.267928  5.394037       2.564337  7.408859       4.859407  390.7041 118.9610 399.0696 159.3611 -8.365509      198.8660 
1 1 1 -11 6  1  o 1342.561 47.01369 45.39248       2.940106  47.58353       5.357909  44.44845       3.516906  1362.725 77.98492 1322.398 52.53093 40.32739       94.02737 
1 1 1 -11 6  2  o 2154.903 52.91346 116.3116       5.469485  125.3375       9.536132  111.8868       6.676879  2213.479 85.09680 2096.326 62.91163 117.1523       105.8269 
1 1 1 -11 6  3  o 1318.607 44.84494 43.00709       2.798253  48.10577       5.028141  40.71946       3.367999  1371.435 72.67764 1265.780 52.55697 105.6558       89.68988 
1 1 1 -11 6  4  o 710.2133 55.46806 14.27764       1.684003  16.03222       2.025169  10.34563       3.031675  792.7627 50.72446 627.6638 98.66028 165.0989       110.9361 
1 1 1 -11 6  5  o 1557.273 37.82638 61.62381       2.981577  59.84845       4.178051  63.46620       4.256210  1534.389 53.78417 1580.156 53.20341 -45.76660      75.65276 
1 1 1 -11 6  6  o 933.5322 35.80081 22.21617       1.683696  20.86323       2.365840  23.60460       2.396671  904.4850 51.88237 962.5795 49.34584 -58.09454      71.60162 
1 1 1 -11 6  7  o 442.4584 46.70686 5.167061       0.9990778 4.298050       1.440475  5.972597       1.386868  404.0691 73.10640 480.8477 58.15134 -76.77866      93.41373 
1 1 1 -11 6  8  o 2148.520 54.73344 119.6248       5.596899  122.2171       6.879821  114.5517       9.624412  2188.199 62.10215 2108.840 90.14611 79.35962       109.4669 
1 1 1 -11 6  9  o 1464.578 46.62121 55.09478       3.240320  54.62281       5.628207  55.32877       3.963011  1456.076 76.61835 1473.081 53.13921 -17.00439      93.24242 
1 1 1 -11 6  10 o 1310.091 51.74750 43.79176       3.432215  0.000000       0.000000  43.79176       3.432215  ?        ?        1310.091 51.74750 ?              ?        
1 1 1 -11 6  11 o 446.3604 59.44691 5.268104       1.258327  5.114612       1.587456  5.527585       2.064007  439.7871 73.92005 452.9336 93.12124 -13.14651      118.8938 
1 1 1 -11 6  12 o 1347.842 45.14694 47.51701       2.691807  45.35660       5.201634  48.30717       3.145782  1319.995 78.18500 1375.689 45.16735 -55.69434      90.29388 
1 1 1 -11 6  13 o 454.0841 59.83004 5.133482       1.268616  7.225899       2.233755  4.137259       1.541309  517.2238 88.48533 390.9444 80.55359 126.2794       119.6601 
1 1 1 -11 6  14 o 259.7277 57.50373 1.818489       1.011852  -1.211773      1.977523  2.893230       1.177697  193.3781 88.75296 326.0772 73.14114 -132.6991      115.0075 
1 1 1 -11 6  15 o 390.0132 64.13670 4.277282       1.240205  4.441460       1.685339  4.083369       1.831606  399.8558 85.82077 380.1706 95.33551 19.68524       128.2734 
1 1 1 -11 6  16 o 256.6091 67.63242 1.441456       1.197355  2.127673       1.745516  0.8316000      1.645535  284.5336 98.94234 228.6847 92.23335 55.84897       135.2648 
1 1 1 -11 6  17 o 488.2072 71.70094 6.847337       1.694962  7.625061       2.644675  6.305212       2.208053  509.0615 106.0589 467.3528 96.51734 41.70868       143.4019 
1 1 1 -11 6  18 o 321.2124 69.24704 2.707925       1.300982  4.814898       2.046360  1.278619       1.685447  400.1045 101.0098 242.3203 94.75039 157.7842       138.4941 
1 1 1 -11 6  19 o 534.1926 61.17936 8.467572       1.569848  9.757786       2.161008  7.025910       2.284321  587.9330 74.25739 480.4521 97.24965 107.4810       122.3587 
1 1 1 -11 6  20 o 393.6465 72.20093 4.959665       1.449063  4.777173       1.987041  5.166961       2.117771  387.0148 100.5148 400.2781 103.6758 -13.26337      144.4019 
1 1 1 -11 6  21 o 263.0562 108.7966 1.787631       2.360898  1.787631       2.360898  0.000000       0.000000  263.0562 108.7966 ?        ?        ?              ?        
1 1 1 -11 7  1  o 819.9960 36.13477 17.14654       1.488544  18.85787       2.135194  15.52835       2.076281  860.1696 49.23533 779.8225 52.90338 80.34705       72.26954 
1 1 1 -11 7  2  o 1194.814 44.73256 35.19295       2.518244  39.80771       4.568436  33.17873       3.018190  1247.074 72.67381 1142.555 52.17782 104.5195       89.46512 
1 1 1 -11 7  3  o 1814.916 40.04780 83.76965       3.679538  82.51424       5.179861  85.04839       5.227773  1801.165 56.80426 1828.666 56.46752 -27.50049      80.09560 
1 1 1 -11 7  4  o 1130.426 44.01474 32.19841       2.359498  31.45167       2.866633  33.76696       4.154702  1112.510 50.89611 1148.342 71.82462 -35.83154      88.02948 
1 1 1 -11 7  5  o 859.2275 37.27588 18.90397       1.603715  21.31006       2.273543  16.52123       2.262489  914.4655 49.29002 803.9896 55.93261 110.4759       74.55175 
1 1 1 -11 7  6  o 1134.537 35.92353 32.72753       2.062891  32.66335       2.884481  32.79472       2.951406  1133.452 50.26676 1135.623 51.33473 -2.170654      71.84707 
1 1 1 -11 7  7  o 1632.776 47.78791 68.10970       3.749242  68.10033       4.626009  68.12765       6.400424  1634.998 55.88634 1630.555 77.53357 4.443237       95.57582 
1 1 1 -11 7  8  o 2159.291 54.04215 119.2766       5.592650  118.4103       6.870958  120.9773       9.627099  2152.507 63.05057 2166.075 87.78863 -13.56763      108.0843 
1 1 1 -11 7  9  o 306.3134 62.12660 2.596508       1.016814  1.631772       1.791127  3.055269       1.235139  274.2195 99.70834 338.4073 74.14246 -64.18787      124.2532 
1 1 1 -11 7  10 o 506.8572 55.91891 7.072436       1.277801  5.948205       2.198909  7.645633       1.570114  470.0042 95.66371 543.7103 57.93229 -73.70602      111.8378 
1 1 1 -11 7  11 o 590.8799 46.35546 8.904778       1.349224  7.670828       1.770636  10.61331       2.083494  542.4001 65.82907 639.3597 65.28282 -96.95966      92.71091 
1 1 1 -11 7  12 o 305.4299 58.95100 2.608662       0.9507065 1.774701       1.551526  3.110042       1.203011  270.4461 93.32546 340.4138 72.05026 -69.96774      117.9020 
1 1 1 -11 7  13 o 367.9518 71.43773 3.999991       1.484583  5.383324       1.856925  1.549510       2.471478  444.9786 85.53463 290.9250 114.4431 154.0536       142.8755 
1 1 1 -11 7  14 o 626.3220 57.74997 9.706259       1.707468  7.669842       2.076968  13.95203       2.998989  533.0392 79.38618 719.6047 83.89321 -186.5656      115.4999 
1 1 1 -11 7  15 o 253.6673 65.80059 0.6824271      1.266614  3.098152       1.938277  -1.117981      1.673315  332.1119 103.8262 175.2227 80.86404 156.8892       131.6012 
1 1 1 -11 7  16 o 649.9904 67.77824 11.32389       2.197583  0.000000       0.000000  11.32389       2.197583  ?        ?        649.9904 67.77824 ?              ?        
1 1 1 -11 7  17 o 369.8099 71.98827 3.986537       1.403683  4.992852       2.080870  3.146273       1.901455  411.2703 100.7369 328.3496 102.8655 82.92062       143.9765 
1 1 1 -11 7  18 o 913.8873 42.17373 22.42856       1.921291  22.20553       2.914157  22.60004       2.555302  906.0314 63.94151 921.7432 55.00890 -15.71173      84.34747 
1 1 1 -11 7  19 o 289.3614 72.18365 2.522078       1.320113  2.304409       1.888181  2.730213       1.846364  280.5112 102.3164 298.2115 101.8493 -17.70029      144.3673 
1 1 1 -11 7  20 o 166.5545 56.34940 -1.872525      1.333439  -2.135387      1.786638  -1.541988      2.003470  156.0371 75.28921 177.0719 83.86033 -21.03479      112.6988 
1 1 1 -11 7  21 f 247.8129 115.6284 -0.1983893     3.568145  -0.1983893     3.568145  0.000000       0.000000  247.8129 115.6284 ?        ?        ?              ?        
1 1 1 -11 8  1  o 1700.754 38.15427 73.58041       3.283548  70.94612       4.647857  76.20516       4.639430  1670.208 54.96655 1731.300 52.93082 -61.09167      76.30855 
1 1 1 -11 8  2  o 140.6174 47.53986 -1.207036      0.7952445 -2.475392      1.730842  -0.8676411     0.8953430 157.3339 75.45670 123.9009 57.84842 33.43297       95.07972 
1 1 1 -11 8  3  o 2054.024 60.79452 107.4195       6.321986  0.000000       0.000000  107.4195       6.321986  ?        ?        2054.024 60.79452 ?              ?        
1 1 1 -11 8  4  o 548.9042 55.06986 7.652036       1.293975  7.454795       1.492478  8.249112       2.596717  538.5049 55.54111 559.3036 95.11016 -20.79871      110.1397 
1 1 1 -11 8  5  o 955.4751 33.97794 23.22420       1.639227  24.54259       2.344100  21.96247       2.293172  982.7308 47.11486 928.2194 48.97134 54.51147       67.95589 
1 1 1 -11 8  6  o 710.1281 38.13253 12.90929       1.360428  12.57985       1.908364  13.24970       1.939895  700.8224 54.20760 719.4338 53.64600 -18.61139      76.26505 
1 1 1 -11 8  7  o 1833.422 50.08157 86.21484       4.407677  86.49575       5.438052  85.67690       7.525432  1841.197 58.33905 1825.647 81.41995 15.54993       100.1631 
1 1 1 -11 8  8  o 619.6058 48.03583 9.272196       1.371405  11.77206       2.579734  8.287414       1.619149  672.3446 77.18706 566.8671 57.20071 105.4775       96.07166 
1 1 1 -11 8  9  o 860.8851 45.38775 19.10681       1.833727  19.07679       3.221746  19.12120       2.230218  857.6151 74.95491 864.1550 51.20502 -6.539917      90.77551 
1 1 1 -11 8  10 o 413.3071 61.95473 3.952029       1.175094  6.614520       2.231025  2.929825       1.382386  496.6288 92.12582 329.9853 82.86366 166.6435       123.9095 
1 1 1 -11 8  11 o 461.6392 55.69370 5.663124       1.253970  5.384697       1.733537  5.968705       1.816106  449.3985 79.08125 473.8798 78.44303 -24.48126      111.3874 
1 1 1 -11 8  12 o 908.2629 37.46140 21.23262       1.629569  21.20408       2.773929  21.24765       2.013669  904.7708 60.91278 911.7549 43.62407 -6.984131      74.92281 
1 1 1 -11 8  13 o 215.2826 61.91722 0.6118810      1.013236  0.4325865      1.774477  0.6986207      1.234229  224.8267 93.76212 205.7385 80.89275 19.08823       123.8344 
1 1 1 -11 8  14 o 306.4373 66.19037 2.591920       1.100628  2.374588       1.847553  2.711477       1.370319  300.0563 101.8850 312.8182 84.52283 -12.76190      132.3807 
1 1 1 -11 8  15 f 439.2725 65.54839 5.672814       1.454679  8.366424       2.039643  2.884272       2.075274  555.9394 74.32841 322.6055 107.9891 233.3339       131.0968 
1 1 1 -11 8  16 o 281.4891 85.08249 1.016392       2.035688  0.8202500E-03  3.837014  1.414227       2.401538  288.5275 128.8335 274.4506 111.1668 14.07690       170.1650 
1 1 1 -11 8  17 o 972.5789 63.07509 26.59719       3.065348  24.66859       4.211771  28.76937       4.469843  933.9064 90.20222 1011.251 88.18973 -77.34479      126.1502 
1 1 1 -11 8  18 o 631.3456 65.94663 10.93455       2.076759  0.000000       0.000000  10.93455       2.076759  ?        ?        631.3456 65.94663 ?              ?        
1 1 1 -11 8  19 o 742.2020 66.65869 15.27548       2.325248  21.82717       4.167954  12.31490       2.801784  841.3862 99.79134 643.0178 88.40369 198.3685       133.3174 
1 1 1 -11 8  20 o 308.9993 71.87069 2.927793       1.781909  5.497666       2.136494  -2.945105      3.229774  410.7178 102.9479 207.2808 100.3160 203.4370       143.7414 
1 1 1 -11 8  21 o 291.0959 111.4121 2.887240       2.293926  2.887240       2.293926  0.000000       0.000000  291.0959 111.4121 ?        ?        ?              ?        
1 1 1 -11 9  1  o 741.9031 36.87433 14.05030       1.372459  14.26884       2.023316  13.86406       1.867888  747.0341 53.85954 736.7722 50.37871 10.26190       73.74866 
1 1 1 -11 9  2  o 1662.485 38.40506 70.36221       3.228415  74.58965       4.574869  66.16860       4.556521  1712.494 52.76743 1612.476 55.81572 100.0183       76.81013 
1 1 1 -11 9  3  o 619.6983 62.71668 11.18393       1.567728  7.944372       3.040069  12.35755       1.829799  544.3240 113.9715 695.0726 52.38337 -150.7487      125.4334 
1 1 1 -11 9  4  o 1122.789 35.52103 32.06017       2.018764  32.19593       2.885729  31.93006       2.825161  1125.071 50.66313 1120.506 49.80183 4.564453       71.04206 
1 1 1 -11 9  5  o 677.2006 48.79588 11.30592       1.523601  10.51653       1.807293  13.24511       2.832669  640.0098 56.35218 714.3914 79.67800 -74.38159      97.59177 
1 1 1 -11 9  6  o 297.8520 54.85039 2.353004       0.9608770 3.932960       1.297530  0.4343495      1.429858  386.4030 68.85177 209.3010 85.40312 177.1020       109.7008 
1 1 1 -11 9  7  o 312.9408 54.13266 2.341514       0.9403526 0.7296183      1.235371  4.562093       1.449979  209.8322 81.37506 416.0494 71.41063 -206.2173      108.2653 
1 1 1 -11 9  8  o 1492.764 47.41069 57.94184       3.346696  55.23203       5.788263  59.30265       4.101822  1461.479 78.51744 1524.050 53.16111 -62.57019      94.82137 
1 1 1 -11 9  9  o 1285.850 44.96597 43.07011       2.529142  41.32665       4.977544  43.67689       2.936452  1262.471 78.26293 1309.229 44.30202 -46.75842      89.93195 
1 1 1 -11 9  10 o 571.7535 54.78336 8.891627       1.389273  7.893808       2.498215  9.338362       1.671585  542.1450 94.45149 601.3621 55.53182 -59.21710      109.5667 
1 1 1 -11 9  11 o 202.8889 59.64390 0.8384295E-01  1.008595  0.9724713      1.620408  -0.4781664     1.288653  238.3215 92.98225 167.4562 74.72537 70.86539       119.2878 
1 1 1 -11 9  12 o 653.1714 47.87795 10.58686       1.374361  12.52335       2.762646  9.949988       1.584322  686.0709 81.10684 620.2719 50.90060 65.79901       95.75590 
1 1 1 -11 9  13 o 929.1328 38.50811 22.92125       1.691875  20.70656       2.864437  24.10784       2.096683  888.9090 64.07972 969.3566 42.72338 -80.44757      77.01621 
1 1 1 -11 9  14 o 348.3822 59.46090 3.298297       1.013987  3.824334       1.651945  2.980288       1.284420  368.7732 89.40797 327.9912 78.41306 40.78198       118.9218 
1 1 1 -11 9  15 o 327.1059 86.49676 2.546666       1.596970  3.259336       3.796226  2.393430       1.760305  358.2502 141.5465 295.9616 99.45529 62.28864       172.9935 
1 1 1 -11 9  16 o 594.7982 65.37494 9.096785       1.512473  11.74278       3.549123  8.509618       1.671887  624.6935 116.5058 564.9028 59.34579 59.79065       130.7499 
1 1 1 -11 9  17 f 393.4785 71.44460 4.681880       1.436640  5.167482       2.014155  4.178965       2.049745  416.5901 97.26547 370.3668 104.6745 46.22336       142.8892 
1 1 1 -11 9  18 o 742.0090 64.55006 15.12673       2.400717  15.12673       2.400717  0.000000       0.000000  742.0090 64.55006 ?        ?        ?              ?        
1 1 1 -11 9  19 o 316.9027 82.12393 3.286949       1.665122  3.203020       2.027252  3.460983       2.919234  313.4862 106.7235 320.3192 124.8497 -6.832977      164.2479 
1 1 1 -11 9  20 o 332.7840 78.58527 3.857698       1.571348  3.340047       2.418614  4.235787       2.067021  312.0703 115.4760 353.4977 106.6202 -41.42737      157.1705 
1 1 1 -11 9  21 o 262.3940 115.3234 1.797326       2.956802  1.797326       2.956802  0.000000       0.000000  262.3940 115.3234 ?        ?        ?              ?        
1 1 1 -11 10 1  o 247.7985 60.66751 1.382634       0.9204411 1.126562       1.206567  1.739107       1.423587  228.0509 81.99069 267.5461 89.44111 -39.49516      121.3350 
1 1 1 -11 10 2  o 576.6130 43.00605 8.596714       1.228693  8.837240       1.665067  8.309154       1.820601  586.2526 56.81297 566.9733 64.57838 19.27930       86.01209 
1 1 1 -11 10 3  o 812.1531 65.50206 17.05387       2.630567  15.04770       3.546128  19.50872       3.922674  758.4133 94.39880 865.8928 90.83472 -107.4796      131.0041 
1 1 1 -11 10 4  o 1362.619 35.91068 47.28306       2.476892  46.66118       3.519571  47.89327       3.486372  1353.651 51.35696 1371.587 50.20729 -17.93567      71.82137 
1 1 1 -11 10 5  o 753.7360 52.32514 14.54710       1.984333  14.54710       1.984333  0.000000       0.000000  753.7360 52.32514 ?        ?        ?              ?        
1 1 1 -11 10 6  o 241.5501 49.78994 0.6653302      0.7732360 3.224284       1.336634  -0.6217800     0.9479579 347.3213 77.93084 135.7790 61.99144 211.5423       99.57989 
1 1 1 -11 10 7  o 428.3495 50.07452 4.835600       1.046116  4.423894       1.464934  5.264017       1.494367  408.7173 73.49867 447.9818 68.02776 -39.26453      100.1490 
1 1 1 -11 10 8  o 581.4137 51.61279 9.166693       1.269325  8.169278       2.466739  9.525914       1.480358  553.6726 91.17517 609.1547 48.40052 -55.48212      103.2256 
1 1 1 -11 10 9  o 380.3543 54.17700 4.035883       0.9851933 3.079419       1.549828  4.684462       1.276234  337.7195 89.28580 422.9891 61.38922 -85.26956      108.3540 
1 1 1 -11 10 10 o 477.2916 60.45033 6.271377       1.284508  5.672326       2.334137  6.531605       1.538410  454.4363 103.7379 500.1469 62.09203 -45.71060      120.9007 
1 1 1 -11 10 11 o 296.1683 69.71216 2.026244       1.135304  2.975109       2.120144  1.644780       1.344279  335.2089 109.0225 257.1276 86.90930 78.08130       139.4243 
1 1 1 -11 10 12 o 880.2306 59.07544 21.29111       1.889057  19.64561       4.553882  21.63312       2.076110  842.1979 109.3860 918.2632 44.65803 -76.06537      118.1509 
1 1 1 -11 10 13 o 296.9864 66.35308 2.746241       1.201416  -3.707879      3.631048  3.539681       1.273124  233.6064 111.2841 360.3663 72.29650 -126.7598      132.7062 
1 1 1 -11 10 14 o 677.1604 64.76413 10.32150       1.853359  18.13922       4.149900  8.373735       2.071412  799.0128 105.1422 555.3079 75.64850 243.7049       129.5283 
1 1 1 -11 10 15 o 281.3739 71.88507 2.072353       1.290653  2.359753       1.558183  1.444201       2.303603  290.7400 93.36198 272.0078 109.3316 18.73221       143.7701 
1 1 1 -11 10 16 o 398.4161 80.31017 2.447039       1.406598  10.24690       3.732900  1.156295       1.518528  564.1584 132.8854 232.6739 90.22390 331.4845       160.6203 
1 1 1 -11 10 17 o 419.2899 68.72945 5.258102       1.432094  6.132638       2.113805  4.516120       1.947031  453.4650 95.11083 385.1149 99.24154 68.35016       137.4589 
1 1 1 -11 10 18 o 539.5327 61.50184 8.663723       1.618899  8.213471       2.319680  9.091259       2.260409  521.8785 91.11105 557.1868 82.63583 -35.30829      123.0037 
1 1 1 -11 10 19 o 331.9736 77.87827 3.739995       1.553921  2.988797       2.215074  4.467916       2.180486  301.7402 110.7041 362.2070 109.5660 -60.46674      155.7565 
1 1 1 -11 10 20 o 313.7322 71.57821 3.293591       1.478666  5.015712       1.979849  1.121305       2.223611  388.9117 99.99628 238.5526 102.4427 150.3591       143.1564 
1 1 1 -11 11 1  o 963.3212 51.49836 23.70917       2.502489  23.70917       2.502489  0.000000       0.000000  963.3212 51.49836 ?        ?        ?              ?        
1 1 1 -11 11 2  o 867.8184 54.04440 19.27412       2.362669  19.27412       2.362669  0.000000       0.000000  867.8184 54.04440 ?        ?        ?              ?        
1 1 1 -11 11 3  o 818.5874 56.54371 17.43371       2.234846  17.24072       3.640794  17.55040       2.830946  812.1949 90.05869 824.9799 68.39736 -12.78497      113.0874 
1 1 1 -11 11 4  o 490.6625 71.70143 7.195280       1.583170  4.645840       2.906161  8.271153       1.887895  417.0553 126.5655 564.2697 67.42080 -147.2144      143.4029 
1 1 1 -11 11 5  o 490.3960 59.96625 6.240713       1.457786  6.240713       1.457786  0.000000       0.000000  490.3960 59.96625 ?        ?        ?              ?        
1 1 1 -11 11 6  o 278.9445 59.86316 2.022702       0.9173819 2.145309       1.352117  1.918120       1.248783  286.2197 86.21180 271.6693 83.07777 14.55048       119.7263 
1 1 1 -11 11 7  o 262.0995 62.49064 1.680958       1.005678  1.032911       1.559148  2.142671       1.316044  238.9465 91.75651 285.2524 84.85908 -46.30595      124.9813 
1 1 1 -11 11 8  o 312.6374 57.97140 3.040239       1.043177  -0.8547927E-04 2.011197  4.159238       1.220139  227.4909 97.55221 397.7838 62.66018 -170.2929      115.9428 
1 1 1 -11 11 9  f 368.2962 56.10634 3.711724       0.9866275 3.376007       1.624947  3.907761       1.241716  352.4510 90.57532 384.1415 66.24044 -31.69052      112.2127 
1 1 1 -11 11 10 o 486.6030 60.67428 6.194576       1.462256  0.000000       0.000000  6.194576       1.462256  ?        ?        486.6030 60.67428 ?              ?        
1 1 1 -11 11 11 f 521.2571 68.90111 7.194990       1.773720  0.000000       0.000000  7.194990       1.773720  ?        ?        521.2571 68.90111 ?              ?        
1 1 1 -11 11 12 o 758.8945 43.37347 15.10347       1.651042  14.92255       2.369335  15.27425       2.301973  753.8937 62.64468 763.8953 60.00562 -10.00159      86.74693 
1 1 1 -11 11 13 o 220.6139 58.23880 -0.3507189     1.076864  2.654593       1.692015  -2.396810      1.396117  309.1560 97.06486 132.0719 64.38514 177.0841       116.4776 
1 1 1 -11 11 14 o 468.1876 58.00009 6.140684       1.286132  5.882723       2.067322  6.303566       1.642742  454.1547 93.04097 482.2204 69.27783 -28.06577      116.0002 
1 1 1 -11 11 15 o 201.9180 62.90624 -0.6543372     1.305341  -1.946899      1.761157  0.9213353      1.944489  162.4749 77.42741 241.3611 99.16539 -78.88620      125.8125 
1 1 1 -11 11 16 o 715.9991 58.10115 13.25084       1.850577  17.22778       3.677938  11.90271       2.141387  769.3384 96.55549 662.6599 64.65302 106.6785       116.2023 
1 1 1 -11 11 17 o 300.9052 73.75992 2.740941       1.376778  3.039776       1.934778  2.434397       1.959575  313.5548 104.2535 288.2556 104.3710 25.29919       147.5198 
1 1 1 -11 11 18 o 552.7216 59.97921 9.176710       1.594684  7.397340       2.256864  10.95092       2.253589  487.9007 94.78296 617.5424 73.52695 -129.6417      119.9584 
1 1 1 -11 11 19 o 482.6481 63.99486 7.236540       1.506051  6.974894       2.116971  7.504666       2.143022  472.2949 91.84268 493.0014 89.14196 -20.70651      127.9897 
1 1 1 -11 11 20 o 247.4250 71.33784 1.683308       1.407280  2.043214       2.076055  1.377340       1.914176  259.3889 103.9564 235.4612 97.72109 23.92767       142.6757 
1 1 1 -11 12 1  o 1352.222 43.14809 45.79623       2.833503  43.41875       3.499726  50.32021       4.827647  1304.202 53.00361 1400.242 68.10027 -96.03979      86.29617 
1 1 1 -11 12 2  o 923.5806 51.47745 21.83112       2.397426  21.83112       2.397426  0.000000       0.000000  923.5806 51.47745 ?        ?        ?              ?        
1 1 1 -11 12 3  o 574.6135 46.32081 8.699780       1.271825  9.093534       1.620902  8.069039       2.051492  594.2010 54.48844 555.0259 74.92316 39.17511       92.64162 
1 1 1 -11 12 4  o 457.0672 60.03881 3.606557       1.264737  11.78230       2.677626  1.258745       1.434888  670.7059 80.46191 243.4284 89.13200 427.2775       120.0776 
1 1 1 -11 12 5  o 783.3594 50.19087 15.73165       1.980062  15.73165       1.980062  0.000000       0.000000  783.3594 50.19087 ?        ?        ?              ?        
1 1 1 -11 12 6  o 278.9198 62.72268 2.057580       0.9764716 1.303828       1.820052  2.362232       1.157100  261.0791 99.40259 296.7605 76.52231 -35.68143      125.4454 
1 1 1 -11 12 7  o 243.6142 61.77216 1.316329       0.9274269 1.358517       1.615318  1.295583       1.132730  254.5845 94.33772 232.6439 79.77214 21.94060       123.5443 
1 1 1 -11 12 8  o 326.7796 61.77946 3.103004       1.031696  1.831631       1.914043  3.623651       1.224860  284.4589 103.1276 369.1004 68.05521 -84.64148      123.5589 
1 1 1 -11 12 9  o 713.6838 40.60504 13.18507       1.452293  13.24018       2.116743  13.13605       1.996253  714.6495 59.03325 712.7181 55.76873 1.931335       81.21008 
1 1 1 -11 12 10 o 347.3775 75.42615 3.236403       1.468907  4.103298       2.166447  2.498771       1.998411  383.2159 107.3706 311.5391 105.9621 71.67682       150.8523 
1 1 1 -11 12 11 o 615.5116 63.91169 11.92928       1.637564  6.527147       2.771803  14.82583       2.029645  475.5711 116.1292 755.4521 53.41188 -279.8811      127.8234 
1 1 1 -11 12 12 f 241.8761 63.26133 1.093432       0.9347529 2.094447       1.812749  0.7308521      1.090986  285.8385 100.7375 197.9137 76.55016 87.92477       126.5227 
1 1 1 -11 12 13 o 570.3510 58.55958 10.69749       1.338302  5.223563       2.313648  13.44996       1.640626  420.9633 108.0226 719.7387 45.25513 -298.7754      117.1192 
1 1 1 -11 12 14 o 597.0581 46.63338 9.743295       1.348671  8.817017       2.082463  10.41248       1.770020  567.2468 74.30032 626.8694 56.37509 -59.62268      93.26676 
1 1 1 -11 12 15 o 272.5208 70.60548 1.935179       1.272089  1.736583       1.740865  2.162714       1.863388  262.5099 97.80415 282.5317 101.8572 -20.02173      141.2110 
1 1 1 -11 12 16 o 452.2403 82.70091 6.121280       1.645763  7.528759       3.631730  5.757553       1.846209  459.3091 141.8799 445.1714 85.01680 14.13773       165.4018 
1 1 1 -11 12 17 o 196.3900 61.70718 -0.7240409E-01 1.240937  0.3755115      1.689071  -0.5977181     1.829192  205.4758 88.76622 187.3042 85.74183 18.17168       123.4144 
1 1 1 -11 12 18 o 234.0959 68.13232 1.111382       1.319836  1.977198       1.950146  0.3796265      1.792822  261.5206 102.0129 206.6712 90.34063 54.84932       136.2646 
1 1 1 -11 12 19 o 318.5020 70.63177 3.450986       1.297511  4.033257       1.749131  2.738540       1.934799  350.0011 95.88108 287.0028 103.7411 62.99826       141.2635 
1 1 1 -11 12 20 o 229.4956 70.08237 0.9694982      1.509068  -0.4525597E-02 2.038110  2.151487       2.245172  199.7304 91.07581 259.2608 106.5427 -59.53041      140.1647 
1 1 1 -11 13 1  o 331.1963 60.68458 3.004153       0.9968228 3.190710       1.224613  2.637818       1.716061  345.5966 72.31412 316.7959 97.47379 28.80078       121.3692 
1 1 1 -11 13 2  o 1330.271 45.08699 46.06199       2.892542  47.47403       3.627154  43.59526       4.794055  1362.680 52.57610 1297.861 73.26050 64.81946       90.17398 
1 1 1 -11 13 3  o 240.0877 56.74129 1.357258       0.8173835 0.9675636      1.095622  1.846408       1.227495  213.4210 77.92455 266.7545 82.49885 -53.33348      113.4826 
1 1 1 -11 13 4  o 1459.748 50.53641 55.91114       3.383671  53.00301       6.155666  57.17030       4.050492  1424.816 85.73525 1494.679 53.52740 -69.86340      101.0728 
1 1 1 -11 13 5  o 1366.294 56.03374 48.89472       3.826992  51.82881       5.201279  45.43129       5.651017  1414.275 72.89068 1318.312 85.12385 95.96362       112.0675 
1 1 1 -11 13 6  o 831.2742 45.90480 17.52421       1.812031  19.07864       3.173306  16.77213       2.207279  855.3378 74.01018 807.2105 54.32768 48.12726       91.80960 
1 1 1 -11 13 7  o 318.0780 67.89403 2.609734       1.133384  3.015567       1.973927  2.410136       1.384317  336.3382 104.7161 299.8179 86.44611 36.52026       135.7881 
1 1 1 -11 13 8  o 425.6415 52.51175 5.156696       1.017983  3.852127       1.691552  5.897446       1.274639  375.0774 90.18854 476.2057 53.81416 -101.1284      105.0235 
1 1 1 -11 13 9  o 1062.973 46.31825 30.05010       2.091990  28.22828       4.240700  30.63604       2.404994  1032.148 81.82497 1093.798 43.43036 -61.64990      92.63650 
1 1 1 -11 13 10 o 399.7078 64.73126 4.426155       1.228542  4.462921       2.122435  4.407629       1.506592  396.8322 104.2812 402.5833 76.72008 -5.751007      129.4625 
1 1 1 -11 13 11 o 279.0384 64.31506 0.9685386      1.115947  4.316847       2.079103  -0.3864591     1.322612  387.6480 103.8481 170.4288 75.90310 217.2192       128.6301 
1 1 1 -11 13 12 o 548.2418 46.23965 7.760950       1.212721  9.124140       2.062924  7.041073       1.499112  581.2290 71.62066 515.2547 58.50557 65.97430       92.47929 
1 1 1 -11 13 13 o 681.3988 41.93341 12.34857       1.385224  12.27200       2.250367  12.39529       1.757688  675.4882 66.67390 687.3094 50.87471 -11.82123      83.86683 
1 1 1 -11 13 14 o 230.5571 61.80766 1.182307       1.029508  0.2743569      1.678241  1.730137       1.303606  208.2285 89.19724 252.8857 85.58389 -44.65715      123.6153 
1 1 1 -11 13 15 o 630.4532 59.84313 10.54268       1.772071  8.881687       2.141873  14.14637       3.154879  562.2721 77.28616 698.6343 91.38737 -136.3622      119.6863 
1 1 1 -11 13 16 o 311.1311 100.6046 3.001627       1.806939  0.000000       0.000000  3.001627       1.806939  ?        ?        311.1311 100.6046 ?              ?        
1 1 1 -11 13 17 o 241.2520 66.39716 1.493286       1.199682  0.7756714      1.765520  2.108854       1.635179  217.9687 92.36584 264.5354 95.40904 -46.56674      132.7943 
1 1 1 -11 13 18 o 363.0228 73.36068 4.441948       1.421174  5.328681       2.119103  3.717113       1.915911  396.0686 104.2565 329.9770 103.2363 66.09158       146.7214 
1 1 1 -11 13 19 f 286.9820 73.85293 2.847197       1.390662  2.758738       1.990563  2.931537       1.943662  283.3706 104.7793 290.5934 104.1072 -7.222748      147.7059 
1 1 1 -11 14 1  o 416.3538 52.89853 4.628271       1.071114  4.467627       1.564201  4.770105       1.469774  408.4334 78.49821 424.2741 70.92988 -15.84067      105.7971 
1 1 1 -11 14 2  o 617.6363 45.32123 9.743326       1.383173  11.39477       2.137588  8.553805       1.814167  662.1629 64.58625 573.1097 63.59773 89.05322       90.64246 
1 1 1 -11 14 3  o 867.9879 42.82088 19.30260       1.828115  20.20031       2.935571  18.73391       2.336476  882.7433 66.16763 853.2324 54.37238 29.51093       85.64176 
1 1 1 -11 14 4  o 725.3969 67.62760 13.69876       2.454978  0.000000       0.000000  13.69876       2.454978  ?        ?        725.3969 67.62760 ?              ?        
1 1 1 -11 14 5  o 332.4304 88.53788 3.000771       1.516737  3.000771       1.516737  0.000000       0.000000  332.4304 88.53788 ?        ?        ?              ?        
1 1 1 -11 14 6  o 1126.355 42.29065 32.14746       2.125543  34.06456       4.158116  31.46931       2.473074  1143.104 72.22137 1109.605 44.02353 33.49890       84.58131 
1 1 1 -11 14 7  o 584.0225 44.92670 9.370838       1.227715  6.962557       1.894241  11.11529       1.612170  511.4829 75.41378 656.5620 48.85075 -145.0790      89.85341 
1 1 1 -11 14 8  o 720.0498 39.54501 13.35154       1.379663  13.88948       2.288680  13.04448       1.729167  729.1315 62.60781 710.9681 48.32692 18.16333       79.09001 
1 1 1 -11 14 9  o 1074.056 46.48544 30.60158       2.112683  29.52002       4.333884  30.93871       2.419655  1050.482 82.14396 1097.630 43.54255 -47.14746      92.97088 
1 1 1 -11 14 10 o 973.4210 40.15659 24.39606       1.954939  27.92765       2.999471  21.78795       2.577633  1033.535 57.55217 913.3071 56.01744 120.2280       80.31318 
1 1 1 -11 14 11 o 184.4067 58.89546 -0.5095704     1.027367  -0.1903723     2.006942  -0.6229185     1.195947  215.0990 94.75987 153.7144 69.96619 61.38454       117.7909 
1 1 1 -11 14 12 o 261.0146 64.92664 1.645544       1.012928  2.308179       1.778862  1.327595       1.232207  290.3282 99.94373 231.7011 82.90433 58.62709       129.8533 
1 1 1 -11 14 13 o 257.4318 65.85251 1.521342       1.254729  -0.5205367     2.027825  2.788075       1.597195  205.1440 92.46237 309.7197 93.79191 -104.5758      131.7050 
1 1 1 -11 14 14 o 604.1566 64.35058 9.876369       1.836661  7.086144       2.305761  14.72007       3.037970  488.7982 96.60024 719.5151 85.04340 -230.7170      128.7012 
1 1 1 -11 14 15 o 666.2333 49.41415 12.32617       1.638770  11.41798       2.274642  13.30631       2.363027  639.1790 71.51791 693.2876 68.20718 -54.10864      98.82829 
1 1 1 -11 14 16 o 437.1649 89.20677 5.842578       1.907513  0.000000       0.000000  5.842578       1.907513  ?        ?        437.1649 89.20677 ?              ?        
1 1 1 -11 14 17 o 428.1654 66.57317 5.925856       1.408506  5.042085       2.013268  6.773125       1.971254  388.0511 101.3669 468.2798 86.32903 -80.22867      133.1463 
1 1 1 -11 14 18 o 293.5889 69.77440 2.915334       1.244335  3.405380       1.722663  2.380685       1.799352  317.1261 97.67532 270.0517 99.66643 47.07443       139.5488 
1 1 1 -11 14 19 o 195.9986 62.42451 -0.3416337     1.359613  -1.855861      1.842227  1.469801       2.014925  157.3397 76.05012 234.6575 99.01344 -77.31776      124.8490 
1 1 1 -11 15 1  o 1327.318 51.67119 45.96849       3.453213  48.03646       4.834658  43.81464       4.934020  1359.226 70.49921 1295.409 75.56130 63.81714       103.3424 
1 1 1 -11 15 2  f 543.6868 50.65916 7.790489       1.359957  7.532340       1.901421  8.060853       1.945889  534.1753 72.15548 553.1982 71.12656 -19.02295      101.3183 
1 1 1 -11 15 3  o 757.4703 44.45979 15.11661       1.651717  13.73731       2.540408  16.12666       2.173934  724.5481 70.13284 790.3925 54.66330 -65.84442      88.91958 
1 1 1 -11 15 4  o 536.6824 62.41711 7.534436       1.664241  0.000000       0.000000  7.534436       1.664241  ?        ?        536.6824 62.41711 ?              ?        
1 1 1 -11 15 5  o 313.3773 70.59418 2.625853       1.386192  3.806376       1.735994  0.5488344      2.302666  371.8391 92.57527 254.9156 106.6019 116.9235       141.1884 
1 1 1 -11 15 6  o 880.5058 35.39484 19.86102       1.537195  20.60938       2.459579  19.38135       1.969150  892.5169 54.69664 868.4947 44.93837 24.02222       70.78969 
1 1 1 -11 15 7  o 435.9679 51.57276 4.952768       1.077086  5.928417       1.745070  4.352359       1.368957  469.2668 76.05614 402.6689 69.67397 66.59790       103.1455 
1 1 1 -11 15 8  o 320.7761 67.62611 3.096647       1.145617  1.172262       2.572368  3.572766       1.279513  279.2334 114.3137 362.3187 72.28798 -83.08530      135.2522 
1 1 1 -11 15 9  o 343.4351 64.00291 2.847930       1.047526  4.766075       2.014184  2.136760       1.226437  408.2406 98.57041 278.6296 81.66618 129.6111       128.0058 
1 1 1 -11 15 10 f 876.0522 43.16405 20.16509       1.883382  21.23917       2.902603  19.38406       2.475177  893.9312 64.57014 858.1733 57.29956 35.75787       86.32811 
1 1 1 -11 15 11 o 542.7578 64.71320 9.034369       1.497584  6.803697       2.741732  9.982898       1.787856  472.7292 115.5356 612.7863 58.33279 -140.0572      129.4264 
1 1 1 -11 15 12 o 447.5015 57.88601 6.130057       1.136378  4.501904       2.036592  6.866143       1.369370  387.0236 102.3657 507.9795 54.07801 -120.9559      115.7720 
1 1 1 -11 15 13 o 292.3328 68.95073 2.423045       1.170601  2.789506       1.899771  2.198746       1.486278  307.2762 103.3197 277.3893 91.33369 29.88699       137.9015 
1 1 1 -11 15 14 o 383.6342 76.47551 4.679757       1.541995  4.688994       2.044221  4.667562       2.348782  387.7367 102.5586 379.5316 113.4713 8.205109       152.9510 
1 1 1 -11 15 15 o 232.8607 75.26921 -0.5049401E-01 1.834690  -0.6886368     3.503770  0.1905799      2.153534  246.5939 114.8991 219.1274 97.26264 27.46651       150.5384 
1 1 1 -11 15 16 o 314.6671 76.30202 3.490276       1.532625  2.349656       2.472132  4.202368       1.953302  277.0799 112.5906 352.2543 103.0114 -75.17447      152.6040 
1 1 1 -11 15 17 o 210.0473 64.29839 0.6714563      1.256173  0.8492469      1.661943  0.4345235      1.918556  211.6287 89.64379 208.4659 92.20153 3.162827       128.5968 
1 1 1 -11 15 18 o 206.3102 62.75346 0.6386030      1.222527  -0.2416865     1.810639  1.376143       1.657341  186.0463 85.21739 226.5741 92.14111 -40.52780      125.5069 
1 1 1 -11 15 19 o 279.1205 68.21806 2.399197       1.469989  5.289198       2.066077  -0.5635516     2.091920  372.9034 104.9854 185.3375 87.13709 187.5659       136.4361 
1 1 1 -11 16 1  f 1434.968 39.67847 53.14750       2.878410  56.71314       4.089519  49.64680       4.052112  1483.476 54.45129 1386.460 57.72853 97.01575       79.35695 
1 1 1 -11 16 2  o 1112.459 43.73806 31.85489       2.385385  33.21332       3.896091  31.04034       3.016939  1127.429 68.58439 1097.490 54.29782 29.93872       87.47612 
1 1 1 -11 16 3  o 942.4532 48.26838 23.25614       2.286354  23.09215       3.275968  23.41188       3.192435  938.6646 69.42848 946.2418 67.07484 -7.577148      96.53677 
1 1 1 -11 16 4  o 509.6196 66.17841 6.397764       1.414637  8.646308       3.041733  5.777186       1.597971  553.6314 112.3609 465.6077 69.95247 88.02371       132.3568 
1 1 1 -11 16 5  o 583.1805 47.72889 8.978453       1.381801  8.614607       1.904075  9.383269       2.008421  570.6904 67.18931 595.6707 67.80695 -24.98022      95.45777 
1 1 1 -11 16 6  f 287.4862 60.74154 2.098566       0.8931388 2.748875       1.630348  1.819719       1.067587  315.5020 94.58521 259.4705 76.23502 56.03143       121.4831 
1 1 1 -11 16 7  o 701.6610 54.61902 13.07331       1.514290  13.52406       3.369661  12.95925       1.695096  696.4560 98.30025 706.8661 47.64465 -10.41010      109.2380 
1 1 1 -11 16 8  o 297.2532 65.82695 2.691054       1.130060  0.7283647E-05  2.631672  3.299439       1.251297  248.7320 109.0708 345.7745 73.73132 -97.04257      131.6539 
1 1 1 -11 16 9  o 696.6575 41.40075 11.51145       1.342128  16.69822       2.549029  9.522001       1.578677  791.4499 64.16862 601.8651 52.33046 189.5848       82.80151 
1 1 1 -11 16 10 f 350.0342 62.37921 3.913195       1.245057  1.099554       2.056971  5.540080       1.564128  251.1394 102.4494 448.9290 71.19541 -197.7895      124.7584 
1 1 1 -11 16 11 o 581.9544 67.86329 11.23057       1.629632  6.764079       2.949786  13.19262       1.955072  459.2928 123.9730 704.6160 55.24857 -245.3233      135.7266 
1 1 1 -11 16 12 o 207.1083 60.99492 0.5653442      0.9970249 0.7287581      1.779480  0.4905715      1.203705  224.9249 93.85635 189.2916 77.92627 35.63327       121.9898 
1 1 1 -11 16 13 f 674.5537 48.47883 12.90825       1.567527  10.85488       2.416089  14.40082       2.059905  617.2786 79.13425 731.8288 56.02284 -114.5502      96.95766 
1 1 1 -11 16 14 o 315.4546 75.19393 3.200956       1.477612  4.050464       1.998235  2.176002       2.194902  353.4833 104.4235 277.4258 108.2231 76.05753       150.3879 
1 1 1 -11 16 15 o 279.9241 78.72557 2.345130       1.778269  0.6739110      2.762677  3.527373       2.323629  242.8392 108.8117 317.0090 113.8019 -74.16982      157.4511 
1 1 1 -11 16 16 o 210.3197 65.13065 0.6343812      1.261314  0.1909737      2.321649  0.8200608      1.502371  215.5656 97.87330 205.0738 85.95827 10.49181       130.2613 
1 1 1 -11 16 17 o 234.8993 67.40726 1.524824       1.258550  1.115795       1.751907  1.961039       1.809191  220.0156 92.55272 249.7830 98.02525 -29.76733      134.8145 
1 1 1 -11 16 18 o 188.6351 58.98569 0.3517134      1.123016  -0.1698135     1.696537  0.7584552      1.498251  179.7292 82.38442 197.5410 84.43964 -17.81178      117.9714 
1 1 1 -11 17 1  f 420.3161 68.29629 3.424182       1.124636  2.612189       1.218132  8.112848       2.927137  308.1615 78.00652 532.4706 112.1272 -224.3091      136.5926 
1 1 1 -11 17 2  o 290.4238 73.33616 1.818587       1.023668  2.526362       2.835936  1.712552       1.097673  327.5946 124.2356 253.2530 77.96333 74.34160       146.6723 
1 1 1 -11 17 3  f 378.3804 54.50969 4.045743       0.9984027 3.119203       1.513696  4.759226       1.328308  334.4924 88.14623 422.2685 64.15189 -87.77609      109.0194 
1 1 1 -11 17 4  o 246.8313 63.20251 -0.1906762     0.8563153 3.888663       2.275773  -0.8634992     0.9242393 368.5433 112.0356 125.1193 58.53431 243.4240       126.4050 
1 1 1 -11 17 5  o 872.2701 36.50785 20.20732       1.538174  18.10472       2.484497  21.51414       1.958697  830.2208 59.50468 914.3196 42.31414 -84.09882      73.01571 
1 1 1 -11 17 6  o 628.4925 58.30672 10.06832       1.374339  12.04359       3.348695  9.668221       1.507114  648.3163 105.6645 608.6686 49.33256 39.64771       116.6134 
1 1 1 -11 17 7  o 392.7362 70.85043 3.565920       1.088546  6.185508       2.860348  3.122275       1.177119  449.4079 122.4041 336.0646 71.38894 113.3433       141.7009 
1 1 1 -11 17 8  o 461.3786 61.89719 6.610966       1.222147  4.769547       2.317799  7.320102       1.438349  397.3121 110.9653 525.4451 54.87943 -128.1330      123.7944 
1 1 1 -11 17 9  o 224.9703 62.96309 1.009954       0.9592208 0.7459247      1.984309  1.090466       1.095754  236.3552 98.90966 213.5853 77.93767 22.76984       125.9262 
1 1 1 -11 17 10 o 485.4133 59.36465 6.316666       1.366434  8.842697       2.287260  4.914800       1.703921  557.8365 83.56106 412.9901 84.34569 144.8464       118.7293 
1 1 1 -11 17 11 o 217.3211 64.42217 -0.2963698     1.106305  2.360460       2.199989  -1.195619      1.279907  291.2803 109.6664 143.3619 67.63248 147.9184       128.8443 
1 1 1 -11 17 12 o 303.7438 74.35577 2.447827       1.189386  3.708322       2.629102  2.123474       1.333663  337.7889 121.0736 269.6988 86.34989 68.09015       148.7115 
1 1 1 -11 17 13 o 296.4500 62.45356 2.900748       1.154255  0.5982600      2.068911  3.941292       1.390828  226.4677 98.03741 366.4324 77.39804 -139.9648      124.9071 
1 1 1 -11 17 14 o 222.1736 66.42605 0.9016325      1.275334  0.8134613      1.684872  1.019925       1.951564  214.8140 90.58572 229.5332 97.17977 -14.71927      132.8521 
1 1 1 -11 17 15 f 224.2928 71.06834 0.5610995      1.678253  -0.3989722     2.728602  1.145293       2.128465  216.5385 101.0623 232.0471 99.94621 -15.50861      142.1367 
1 1 1 -11 17 16 o 419.9689 78.74486 6.888971       1.703500  5.930511       3.028778  7.332458       2.060255  364.5055 130.0250 475.4322 88.86237 -110.9267      157.4897 
1 1 1 -11 17 17 o 181.1193 57.47234 0.2307824E-01  1.115537  -0.6612102     1.595366  0.6777248      1.560430  164.8429 77.04974 197.3957 85.29722 -32.55275      114.9447 
1 1 1 -11 17 18 o 283.7756 70.50723 3.157985       1.348623  1.847067       1.949132  4.361964       1.867941  233.5342 97.89906 334.0170 101.4931 -100.4828      141.0145 
1 1 1 -11 18 1  o 218.0551 52.39410 1.147330       0.7278653 1.721323       1.006272  0.5174696      1.054107  251.0514 74.08516 185.0587 74.10773 65.99272       104.7882 
1 1 1 -11 18 2  o 259.6961 55.04016 1.769255       0.8114431 2.579511       1.193271  1.072279       1.106718  304.2009 77.31703 215.1913 78.35659 89.00957       110.0803 
1 1 1 -11 18 3  o 730.6740 36.87484 13.93047       1.314294  14.13951       2.137560  13.80341       1.666535  732.2051 58.14215 729.1427 45.37077 3.062439       73.74969 
1 1 1 -11 18 4  o 356.7219 73.49281 4.142701       1.332331  1.232854       3.428914  4.660142       1.445947  301.1437 128.2080 412.3002 71.88527 -111.1565      146.9856 
1 1 1 -11 18 5  o 722.7442 69.59656 16.99030       1.821421  11.21819       3.850776  18.65388       2.067302  600.1030 130.4683 845.3854 48.50499 -245.2825      139.1931 
1 1 1 -11 18 6  o 536.3112 66.63447 7.234962       1.532688  10.64809       3.210541  6.227490       1.744288  598.0375 110.0959 474.5849 75.09665 123.4526       133.2689 
1 1 1 -11 18 7  o 216.8932 67.43391 -0.1203165     0.9436778 1.724126       2.737104  -0.3691386     1.005318  288.4037 117.9752 145.3828 65.35434 143.0209       134.8678 
1 1 1 -11 18 8  o 276.1733 66.19300 1.466501       1.006063  3.843851       2.080521  0.7409371      1.149379  354.4542 106.9811 197.8924 77.98138 156.5618       132.3860 
1 1 1 -11 18 9  o 616.8981 47.15292 10.09855       1.298232  11.19812       2.486889  9.686645       1.522091  629.4524 79.83321 604.3438 50.20211 25.10864       94.30585 
1 1 1 -11 18 10 o 690.0812 50.36856 13.07634       1.657396  18.21179       2.489929  8.990696       2.220897  819.8341 60.41549 560.3282 80.60977 259.5059       100.7371 
1 1 1 -11 18 11 o 666.9056 75.74718 16.30365       1.933698  8.972952       3.725082  19.00768       2.262396  492.0966 141.7833 841.7148 53.36697 -349.6182      151.4944 
1 1 1 -11 18 12 o 254.0672 66.81120 1.443489       1.126897  3.060975       1.954166  0.6376253      1.379341  308.4586 104.7832 199.6757 82.91824 108.7830       133.6224 
1 1 1 -11 18 13 f 388.1063 76.05357 5.192314       1.553941  5.610853       2.152117  4.736420       2.246102  409.2494 103.7342 366.9632 111.2466 42.28619       152.1071 
1 1 1 -11 18 14 o 270.2621 71.27782 2.194813       1.413723  0.6670552      1.953057  3.876366       2.049005  214.1694 93.93703 326.3549 107.2285 -112.1855      142.5556 
1 1 1 -11 18 15 o 457.3748 90.37059 9.061993       2.232779  9.895423       2.895793  7.840076       3.506338  514.7856 114.1079 399.9640 140.1669 114.8216       180.7412 
1 1 1 -11 18 16 o 207.7973 64.22269 0.6806017      1.362412  -1.891510      2.653971  1.600961       1.587559  186.5350 90.44016 229.0597 91.20744 -42.52473      128.4454 
1 1 1 -11 18 17 o 188.3182 59.16896 -0.1634832     1.191255  -1.687196      1.581287  1.836077       1.811450  143.0108 69.44604 233.6257 95.81810 -90.61493      118.3379 
1 1 1 -11 19 1  o 243.4186 77.46792 -0.7058612     2.082520  -2.815185      3.214294  0.8201129      2.733931  220.6542 105.0007 266.1831 113.9297 -45.52890      154.9358 
1 1 1 -11 19 2  o 816.4541 57.72340 18.60497       1.970551  18.18259       3.998308  18.74048       2.264699  789.9402 102.3851 842.9681 53.34093 -53.02789      115.4468 
1 1 1 -11 19 3  o 581.0548 69.01331 9.293451       1.314882  10.45893       3.668380  9.121640       1.408469  572.6619 129.5579 589.4478 47.60359 -16.78589      138.0266 
1 1 1 -11 19 4  o 314.9565 73.34225 2.996171       1.205093  1.255372       3.294307  3.265110       1.294840  290.7090 124.7613 339.2040 77.14252 -48.49503      146.6845 
1 1 1 -11 19 5  o 407.2712 72.24409 4.819026       1.095714  5.066889       3.155459  4.785042       1.168419  392.7117 133.1515 421.8307 56.10270 -29.11899      144.4882 
1 1 1 -11 19 6  o 417.6259 64.64649 7.326216       1.298036  0.1046785E-03  3.385378  8.588888       1.405451  265.4259 119.5658 569.8258 49.20056 -304.3999      129.2930 
1 1 1 -11 19 7  o 334.7741 60.58806 3.828113       1.059925  1.443002       2.140682  4.602751       1.219965  259.2025 104.9679 410.3458 60.54242 -151.1433      121.1761 
1 1 1 -11 19 8  o 232.6289 61.53426 1.357619       1.029133  -0.3829023     2.026856  1.962209       1.194575  204.2670 92.21902 260.9908 81.49547 -56.72382      123.0685 
1 1 1 -11 19 9  o 349.3069 72.83937 3.550250       1.317674  5.101096       2.312300  2.804453       1.603505  395.4326 110.9728 303.1812 94.37865 92.25131       145.6787 
1 1 1 -11 19 10 o 305.8032 79.62586 2.951330       1.621482  2.787516       2.234725  3.133461       2.356348  299.3919 110.9567 312.2146 114.2354 -12.82266      159.2517 
1 1 1 -11 19 11 o 224.7497 69.21461 0.2437679      1.209366  2.220840       2.662676  -0.2700858     1.357460  281.0482 115.8234 168.4511 75.81288 112.5971       138.4292 
1 1 1 -11 19 12 o 174.3253 56.89308 -0.6484230     1.106237  0.4143679E-01  1.876888  -1.015644      1.369374  199.3850 89.48944 149.2656 70.27751 50.11938       113.7862 
1 1 1 -11 19 13 o 373.3860 82.84193 5.208958       1.740656  7.137383       2.763150  3.940173       2.241285  425.1398 122.0022 321.6321 112.1008 103.5077       165.6839 
1 1 1 -11 19 14 o 240.9203 68.06343 1.843619       1.244685  1.811590       1.955159  1.865446       1.613997  241.2943 99.32241 240.5462 93.08911 0.7481232      136.1269 
1 1 1 -11 19 15 o 377.5137 91.56958 6.559649       2.075461  5.653576       2.667473  7.949648       3.303892  355.3366 122.3831 399.6908 136.2437 -44.35419      183.1392 
1 1 1 -11 19 16 o 251.3065 75.42369 1.655369       1.621273  4.825155       2.826594  0.1012376      1.979212  311.4498 122.4299 191.1631 88.12402 120.2867       150.8474 
1 1 1 -11 20 1  o 358.9495 54.89482 3.774819       0.9723516 2.875778       1.418559  4.571576       1.335428  312.3394 86.66106 405.5595 67.40645 -93.22015      109.7896 
1 1 1 -11 20 2  o 207.7576 50.86266 1.116710       0.7064565 0.6547406E-01  1.239788  1.622159       0.8596777 175.2637 75.88154 240.2515 67.74976 -64.98782      101.7253 
1 1 1 -11 20 3  o 416.9453 89.73307 5.702509       2.064936  7.208888       3.165682  4.586912       2.724294  460.8094 130.0312 373.0813 123.6931 87.72815       179.4661 
1 1 1 -11 20 4  o 560.2844 95.70235 11.22166       2.799313  14.34027       3.819508  7.602561       4.114594  673.2253 116.2668 447.3436 152.0453 225.8818       191.4047 
1 1 1 -11 20 5  o 573.4692 74.48494 11.86275       1.444062  7.509153       3.622637  12.68523       1.574569  453.1387 141.9879 693.7998 45.07174 -240.6611      148.9699 
1 1 1 -11 20 6  o 202.1742 66.00735 0.1623026      0.9807901 -2.566443      3.693216  0.3693492      1.017319  232.3180 111.1010 172.0305 71.30533 60.28749       132.0147 
1 1 1 -11 20 7  o 415.3682 65.42421 4.938217       1.126587  5.855892       2.513594  4.707533       1.260257  419.0631 114.9971 411.6732 62.42576 7.389832       130.8484 
1 1 1 -11 20 8  o 454.4774 66.43149 6.440291       1.256595  6.131478       2.652162  6.529683       1.426923  421.9138 119.0053 487.0408 59.07888 -65.12698      132.8630 
1 1 1 -11 20 9  o 579.2899 56.25502 9.850348       1.381852  9.675663       2.679315  9.913651       1.612918  554.3940 99.09712 604.1859 53.27540 -49.79193      112.5100 
1 1 1 -11 20 10 o 308.0995 76.78361 3.123208       1.778142  5.131427       2.265620  -0.9788740E-01 2.869349  384.2899 110.5303 231.9091 106.6112 152.3808       153.5672 
1 1 1 -11 20 11 o 189.9158 64.08140 -0.6989596     1.240284  -0.6110139     3.127029  -0.7153780     1.351105  225.7985 106.2771 154.0332 71.63012 71.76532       128.1628 
1 1 1 -11 20 12 o 225.8748 64.56597 1.416230       1.164048  0.7265039      1.912421  1.822157       1.467131  211.5364 92.86417 240.2133 89.72907 -28.67699      129.1319 
1 1 1 -11 20 13 o 133.8751 46.95224 -2.575395      1.024731  -1.152244      1.781404  -3.279204      1.252749  163.3008 77.83487 104.4493 52.53365 58.85155       93.90448 
1 1 1 -11 20 14 o 437.3151 79.60252 7.018104       1.660812  9.649219       3.047303  5.906329       1.980862  471.1644 125.5008 403.4658 97.95811 67.69858       159.2050 
1 1 1 -11 20 15 f 285.5505 84.91600 3.840039       2.132829  2.099404       2.876094  5.966865       3.179180  243.2784 109.8400 327.8226 129.5303 -84.54419      169.8320 
1 1 1 -11 20 16 o 244.8702 79.32404 2.694628       2.198242  1.584746       2.917953  4.151171       3.342731  224.0901 104.5611 265.6502 119.3155 -41.56012      158.6481 
1 1 1 -11 21 1  o 151.3162 46.70137 -0.5941191E-01 0.6317932 0.2889769      1.118838  -0.2225107     0.7655268 174.1017 73.63908 128.5307 57.45745 45.57094       93.40274 
1 1 1 -11 21 2  o 292.2103 53.44675 2.401183       0.7515243 2.799107       1.358269  2.225617       0.9022062 304.8619 84.87542 279.5587 64.97986 25.30319       106.8935 
1 1 1 -11 21 3  o 247.5640 70.42092 1.201069       0.8566976 2.182471       3.011113  1.114630       0.8936291 290.6093 121.7456 204.5187 70.81272 86.09053       140.8418 
1 1 1 -11 21 4  o 268.2790 82.87277 0.7673808      2.315078  2.893454       2.973180  -2.506812      3.689642  307.2457 123.9572 229.3123 110.0281 77.93338       165.7455 
1 1 1 -11 21 5  o 208.4485 67.58340 0.3894554      0.8995162 -1.181298      3.775146  0.4840014      0.9261923 246.3458 116.1972 170.5511 69.05268 75.79468       135.1668 
1 1 1 -11 21 6  o 244.7322 78.06678 0.2776381      1.993558  -0.2947848     2.546711  1.183470       3.203649  221.6063 101.3437 267.8581 118.7735 -46.25186      156.1336 
1 1 1 -11 21 7  o 173.1530 59.05663 -1.038392      1.168519  -4.644638      3.294789  -0.5195301     1.249758  191.6246 94.51782 154.6813 70.83166 36.94336       118.1133 
1 1 1 -11 21 8  o 276.3646 77.32075 1.702184       1.086514  4.148659       3.382693  1.420751       1.147307  328.4862 132.3268 224.2429 80.02258 104.2433       154.6415 
1 1 1 -11 21 9  o 222.6765 67.48023 0.9094584      1.257125  1.156905       2.352425  0.8105457      1.487309  239.9216 104.1999 205.4315 85.77121 34.49002       134.9605 
1 1 1 -11 21 10 o 170.0807 57.67245 -2.928272      1.543981  0.2817931      2.109139  -6.634773      2.266368  208.6701 94.15195 131.4913 66.63226 77.17886       115.3449 
1 1 1 -11 21 11 o 204.4152 62.50554 0.7587711      1.123042  1.223978       1.957737  0.5306054      1.371059  223.0748 95.96856 185.7555 80.11120 37.31938       125.0111 
1 1 1 -11 21 12 o 283.0713 72.84708 3.118845       1.384330  2.309635       1.938169  3.961583       1.977913  251.4403 100.5601 314.7023 105.4251 -63.26205      145.6942 
1 1 1 -11 21 13 o 176.6263 57.46813 -0.6305270     1.288073  1.115571       1.730594  -2.799235      1.928686  208.7488 90.01595 144.5037 71.46659 64.24510       114.9363 
1 1 1 -11 21 14 o 274.3105 74.26554 3.051242       1.410079  4.253443       2.293776  2.320933       1.787787  302.9732 112.3875 245.6478 97.11092 57.32545       148.5311 
1 1 1 -11 21 15 o 242.5582 79.50291 2.864705       2.314904  3.621791       3.420659  2.225004       3.144311  252.7585 116.2726 232.3579 108.4598 20.40060       159.0058 
1 1 1 -11 22 1  o 443.9991 41.93901 5.373206       0.8863572 6.009554       1.488695  5.023745       1.103209  459.4237 65.89066 428.5745 51.90322 30.84918       83.87802 
1 1 1 -11 22 2  o 300.7214 67.35784 3.017992       0.9517676 1.060973       3.460888  3.178108       0.9899372 266.2744 120.3319 335.1683 60.56849 -68.89383      134.7157 
1 1 1 -11 22 3  o 310.7057 81.35936 1.199591       0.8555733 8.244693       3.856358  0.8348637      0.8774405 436.2573 147.2020 185.1542 69.34656 251.1031       162.7187 
1 1 1 -11 22 4  o 171.4203 58.45610 -0.6173537     0.9227656 -1.771858      2.904473  -0.4877394     0.9731868 207.3561 98.98588 135.4845 62.21140 71.87161       116.9122 
1 1 1 -11 22 5  o 301.5608 72.11930 2.797785       1.041797  3.015486       3.140066  2.770857       1.104349  298.4612 124.6208 304.6604 72.62532 -6.199249      144.2386 
1 1 1 -11 22 6  o 502.1802 64.46166 7.120720       1.248581  9.516272       2.955714  6.600390       1.377522  518.0919 115.6194 486.2686 57.03841 31.82324       128.9233 
1 1 1 -11 22 7  o 230.2908 66.56342 0.8628557      1.003718  2.911315       2.294645  0.3781806      1.116162  287.7484 111.0960 172.8333 73.35147 114.9151       133.1268 
1 1 1 -11 22 8  o 200.6416 68.01340 -1.509808      1.647378  1.031393       3.214392  -2.415038      1.918486  247.4512 113.4170 153.8320 75.09910 93.61923       136.0268 
1 1 1 -11 22 9  o 305.1247 81.16544 3.958122       1.849065  4.955604       2.312282  2.188865       3.079526  350.6013 113.8471 259.6481 115.7159 90.95319       162.3309 
1 1 1 -11 22 10 o 276.6788 77.44089 2.898916       1.400712  3.557497       3.696064  2.788467       1.513617  275.5222 124.4466 277.8355 92.20313 -2.313385      154.8818 
1 1 1 -11 22 11 o 169.3323 57.80557 -0.8093181     1.289199  -5.299317      3.531903  -0.1191290     1.384745  175.5572 88.28661 163.1073 74.64189 12.44994       115.6111 
1 1 1 -11 22 12 o 222.6517 67.63303 1.617371       1.378900  1.909932       1.897584  1.290051       2.007144  230.7885 96.66417 214.5149 94.61999 16.27365       135.2661 
1 1 1 -11 22 13 o 135.1625 46.92796 -2.048399      1.117724  -2.975043      1.710022  -1.357201      1.476883  130.2779 64.90895 140.0471 67.79205 -9.769135      93.85592 
1 1 1 -11 22 14 o 142.7168 69.40290 -1.397086      1.594500  0.000000       0.000000  -1.397086      1.594500  ?        ?        142.7168 69.40290 ?              ?        
1 1 1 -11 23 1  o 279.1780 53.25053 3.191954       0.9422737 -4.612395      3.286475  3.890965       0.9835672 185.4732 92.00340 372.8828 53.64560 -187.4097      106.5011 
1 1 1 -11 23 2  o 373.8048 72.32671 2.558137       0.8741144 9.440321       3.189366  1.999196       0.9089174 489.6646 127.4266 257.9449 68.46231 231.7197       144.6534 
1 1 1 -11 23 3  o 431.7346 72.15604 8.042127       1.299591  4.010580       4.144084  8.481859       1.368632  307.1804 135.7025 556.2888 49.10012 -249.1084      144.3121 
1 1 1 -11 23 4  o 421.4589 79.70525 6.229283       1.506791  7.558075       3.424398  5.910238       1.677961  404.9916 138.7029 437.9262 78.56973 -32.93460      159.4105 
1 1 1 -11 23 5  o 193.1483 62.27620 0.3815497      0.8665411 -0.1070134E-05 2.948434  0.4176225      0.9065787 224.4622 104.8591 161.8345 67.21504 62.62776       124.5524 
1 1 1 -11 23 6  o 296.3945 71.71631 2.010573       1.013975  6.076308       2.604395  1.284185       1.100834  382.8572 120.4598 209.9318 77.86116 172.9253       143.4326 
1 1 1 -11 23 7  o 180.3133 59.00232 -0.2541181     0.9746910 1.085125       2.242898  -0.5659156     1.082221  223.2537 99.16922 137.3729 63.95750 85.88087       118.0046 
1 1 1 -11 23 8  o 253.7291 70.25352 2.063339       1.222774  3.706775       2.238437  1.364355       1.459829  293.6416 110.6078 213.8165 86.64954 79.82507       140.5070 
1 1 1 -11 23 9  o 195.4531 58.69967 0.4767462      1.221800  -2.824657      2.146529  2.058978       1.486012  152.2000 75.29454 238.7061 90.07407 -86.50610      117.3993 
1 1 1 -11 23 10 o 245.4025 66.78921 1.693751       1.351733  4.553024       2.043021  -0.5324814     1.802728  322.1202 107.1315 168.6849 79.78749 153.4353       133.5784 
1 1 1 -11 23 11 o 137.3369 68.47578 -3.137816      1.917709  -3.137816      1.917709  0.000000       0.000000  137.3369 68.47578 ?        ?        ?              ?        
1 1 1 -11 23 12 o 166.8972 79.63377 -0.5974310     1.875120  -0.5974310     1.875120  0.000000       0.000000  166.8972 79.63377 ?        ?        ?              ?        
1 1 1 -11 23 13 o 154.7764 72.45188 -0.2167600     1.419624  0.000000       0.000000  -0.2167600     1.419624  ?        ?        154.7764 72.45188 ?              ?        
1 1 1 -11 24 1  o 299.9926 75.02027 1.840598       0.7605484 7.255114       3.279450  1.532832       0.7818648 376.2333 135.1827 223.7518 65.09846 152.4815       150.0405 
1 1 1 -11 24 2  o 268.9449 75.66999 1.842335       1.104448  5.369349       3.103225  1.330782       1.181831  327.1636 128.3850 210.7261 80.13159 116.4375       151.3400 
1 1 1 -11 24 3  o 196.2467 65.88618 0.2565961      1.026297  -0.1583744     3.982730  0.2861111      1.062168  230.5495 111.5321 161.9439 70.17519 68.60559       131.7724 
1 1 1 -11 24 4  o 215.1569 71.58145 0.2885809      1.213972  3.257841       3.775264  -0.5384952E-01 1.282063  268.8185 123.1015 161.4954 73.08658 107.3230       143.1629 
1 1 1 -11 24 5  o 171.2557 68.62496 -0.2108228E-01 0.8697253 -8.900091      3.164975  0.7041670      0.9045483 ?        ?        171.2557 68.62496 ?              ?        
1 1 1 -11 24 6  o 410.6857 67.99878 6.194384       1.259799  6.568843       2.518499  6.069419       1.454903  378.6105 118.3484 442.7610 66.99987 -64.15054      135.9976 
1 1 1 -11 24 7  o 232.2254 64.20408 2.035557       1.106844  1.087599       2.348160  2.306345       1.255014  212.2222 97.14774 252.2287 83.97006 -40.00656      128.4082 
1 1 1 -11 24 8  f 182.9964 59.54562 0.3565422      1.148047  0.6347812      2.227186  0.2558592      1.339756  198.7666 92.27692 167.2262 75.28407 31.54033       119.0912 
1 1 1 -11 24 9  o 218.8316 70.59023 1.520947       1.548970  1.091522       1.790504  2.798313       3.088087  199.3284 88.57046 238.3347 109.9418 -39.00623      141.1805 
1 1 1 -11 24 10 o 259.9227 69.66232 2.895708       1.239138  3.873306       1.981311  2.267682       1.588041  284.7355 104.6643 235.1098 91.96049 49.62570       139.3246 
1 1 1 -11 24 11 o 316.3612 109.0172 5.022139       2.116780  5.022139       2.116780  0.000000       0.000000  316.3612 109.0172 ?        ?        ?              ?        
1 1 1 -11 24 12 o 216.9032 65.54114 2.124084       1.305106  1.573030       2.085496  2.478814       1.673250  202.5929 92.28316 231.2134 93.09340 -28.62045      131.0823 
1 1 1 -11 25 1  o 212.9604 64.02483 1.160947       0.7221140 2.590574       3.146657  1.081472       0.7419142 239.3278 110.6028 186.5930 64.52702 52.73479       128.0497 
1 1 1 -11 25 2  o 156.6452 53.84364 -0.7229323E-03 0.6829004 -3.223255      3.552213  0.1229484      0.6958809 183.1855 91.61971 130.1048 56.58954 53.08066       107.6873 
1 1 1 -11 25 3  f 254.7748 68.41235 2.358743       0.9232778 3.413766       4.160365  2.304092       0.9468891 245.8566 117.6666 263.6931 69.82525 -17.83656      136.8247 
1 1 1 -11 25 4  o 186.3174 60.68703 0.5250768      1.220363  -0.1506282     2.582062  0.7194308      1.384793  191.3379 91.87009 181.2969 79.31929 10.04103       121.3741 
1 1 1 -11 25 5  o 215.6035 65.97254 1.651786       1.166120  0.6360574      3.625197  1.769016       1.231576  211.4297 103.2212 219.7773 82.18816 -8.347534      131.9451 
1 1 1 -11 25 6  o 160.5113 49.93410 0.2481527      0.8695113 -2.508164      1.878854  0.9993718      0.9808707 139.7646 69.36954 181.2580 71.84375 -41.49338      99.86820 
1 1 1 -11 25 7  o 241.7023 76.72807 3.325744       1.996781  3.611504       2.394482  2.673341       3.618002  256.1643 108.0045 227.2402 109.0129 28.92403       153.4561 
1 1 1 -11 25 8  o 186.2481 60.07106 0.3048013      1.225714  2.332847       2.013284  -0.8896158     1.545056  226.1310 97.30178 146.3652 70.47337 79.76578       120.1421 
1 1 1 -11 25 9  o 239.8015 68.55907 2.545047       1.291934  3.986811       2.028849  1.561678       1.675564  275.7917 104.9627 203.8114 88.22827 71.98026       137.1181 
1 1 1 -11 25 10 o 203.2969 68.91663 1.188614       1.616031  4.097569       3.806008  0.5488282      1.784919  229.5242 110.5367 177.0696 82.33865 52.45467       137.8333 
1 1 1 -11 25 11 f 221.6264 64.45722 1.941216       1.458472  4.698012       1.955782  -1.512432      2.189058  290.5406 104.3950 152.7121 75.63478 137.8285       128.9144 
1 1 1 -11 26 1  o 179.2712 56.48275 0.8252637      0.6810966 -0.1664471     3.350251  0.8680179      0.6956233 191.1597 94.47639 167.3826 61.93074 23.77710       112.9655 
1 1 1 -11 26 2  o 175.0353 57.45981 0.5952022      0.8983276 -0.3293742     3.172490  0.6757974      0.9366632 187.9338 92.70647 162.1368 67.91192 25.79704       114.9196 
1 1 1 -11 26 3  o 229.9253 67.21023 1.993706       0.9307947 4.325430       3.944679  1.856225       0.9578420 234.1129 112.6944 225.7377 73.27238 8.375198       134.4205 
1 1 1 -11 26 4  o 238.2033 73.14658 2.984180       1.499637  4.441472       4.225362  2.774160       1.604063  231.5297 112.6817 244.8770 93.29802 -13.34737      146.2932 
1 1 1 -11 26 5  o 212.7346 69.90575 0.6098101      1.157967  6.655608       3.256129  -0.2655063     1.238960  282.0009 122.5335 143.4683 67.32600 138.5326       139.8115 
1 1 1 -11 26 6  o 302.4556 70.19636 4.702498       1.394946  3.089470       2.126763  5.920368       1.847986  236.9219 100.9211 367.9893 97.59631 -131.0673      140.3927 
1 1 1 -11 26 7  o 183.8312 63.81383 0.7454266E-01  1.891836  -0.2655594     2.261416  0.8675545      3.453151  171.4921 83.22402 196.1703 96.76044 -24.67825      127.6277 
1 1 1 -11 26 8  o 196.1542 60.05222 0.6070704      1.249790  3.649451       1.869517  -1.851193      1.680494  258.3746 100.1318 133.9338 66.32268 124.4408       120.1044 
1 1 1 -11 26 9  o 185.0329 85.96307 1.236085       1.938402  1.236085       1.938402  0.000000       0.000000  185.0329 85.96307 ?        ?        ?              ?        
1 1 1 -11 26 10 o 153.0597 55.99396 -2.722588      1.563586  2.597870       3.777549  -3.822578      1.717631  192.6810 96.07597 113.4384 57.53868 79.24265       111.9879 
1 1 1 -11 27 1  o 237.5621 59.78627 2.540184       0.8514712 2.736780       3.516173  2.527937       0.8775913 204.9343 100.3900 270.1899 64.95717 -65.25565      119.5725 
1 1 1 -11 27 2  o 180.2947 60.76232 0.7535023      1.115643  2.191392       3.385397  0.5783222      1.181651  200.4758 98.26890 160.1135 71.49448 40.36229       121.5246 
1 1 1 -11 27 3  o 169.7643 53.43197 0.8446587      0.8174996 -2.889559      3.419182  1.071068       0.8419179 163.8461 82.90020 175.6826 67.43484 -11.83650      106.8639 
1 1 1 -11 27 4  f 176.6776 59.45491 0.6144148      1.279047  1.784369       2.545293  0.2191689      1.479405  195.5367 93.15507 157.8184 73.90318 37.71828       118.9098 
1 1 1 -11 27 5  o 182.4250 60.96166 0.9837440      1.188497  2.160373       3.154794  0.7891327      1.283025  197.6263 96.44017 167.2237 74.59617 30.40259       121.9233 
1 1 1 -11 27 6  o 322.5430 74.36223 5.841162       1.398389  6.158536       2.261552  5.644708       1.779307  305.0944 111.8709 339.9917 97.99934 -34.89728      148.7245 
1 1 1 -11 27 7  f 176.0622 57.99463 0.8459816      1.231448  2.416795       1.951783  -0.1928719     1.587254  203.3214 91.25674 148.8031 71.59412 54.51830       115.9893 
1 1 1 -11 27 8  o 257.1244 72.44032 4.587244       1.407319  5.286318       2.134029  4.049248       1.872095  267.7408 106.0182 246.5081 98.74481 21.23273       144.8806 
1 1 1 -11 28 1  o 110.7703 50.21526 -0.1340378     0.5984274 -4.048822      3.357701  -0.5608038E-02 0.6081643 ?        ?        110.7703 50.21526 ?              ?        
1 1 1 -11 28 2  o 225.9925 71.92298 0.9478025      0.7801056 11.92163       3.406953  0.3406173      0.8013968 317.4922 130.9489 134.4927 59.53195 182.9995       143.8460 
1 1 1 -11 28 3  f 133.7864 46.58101 -0.2095217     0.7129729 -0.6798962     2.386151  -0.1634103     0.7471029 153.6165 76.55904 113.9563 53.08368 39.66014       93.16203 
1 1 1 -11 28 4  o 184.2137 60.81116 1.981113       1.412838  1.670282       2.396351  2.146727       1.749188  177.3742 85.98466 191.0532 86.01527 -13.67894      121.6223 
1 1 1 -11 28 5  o 161.6211 74.87214 0.6689569      1.375815  -1.535463      4.231724  0.9295110      1.454853  ?        ?        161.6211 74.87214 ?              ?        
1 1 1 -11 28 6  o 194.8570 90.77771 3.151517       2.185642  3.151517       2.185642  0.000000       0.000000  194.8570 90.77771 ?        ?        ?              ?        
1 1 1 -10 0  1  o 849.2012 35.36796 18.47162       2.133323  18.47162       2.133323  18.47162       2.133323  849.2012 50.01785 849.2012 50.01785 -0.000000      0.000000 
1 1 1 -10 0  2  o 1724.718 56.42057 76.08527       6.933167  76.08527       6.933167  76.08527       6.933167  1724.718 79.79074 1724.718 79.79074 0.000000       0.000000 
1 1 1 -10 0  3  f 1882.671 59.24077 90.70132       7.949352  90.70132       7.949352  90.70132       7.949352  1882.671 83.77911 1882.671 83.77911 -0.000000      0.000000 
1 1 1 -10 0  4  o 2663.422 49.94751 180.6809       9.509583  180.6809       9.509583  180.6809       9.509583  2663.422 70.63645 2663.422 70.63645 0.000000       0.000000 
1 1 1 -10 0  5  o 1628.656 38.48698 67.54681       4.476529  67.54681       4.476529  67.54681       4.476529  1628.656 54.42881 1628.656 54.42881 0.000000       0.000000 
1 1 1 -10 0  6  o 3137.124 55.90824 250.9539       12.53956  250.9539       12.53956  250.9539       12.53956  3137.124 79.06618 3137.124 79.06618 -0.000000      0.000000 
1 1 1 -10 0  7  o 457.9883 40.59156 5.567203       1.274376  5.567203       1.274376  5.567203       1.274376  457.9883 57.40513 457.9883 57.40513 0.000000       0.000000 
1 1 1 -10 0  8  o 1851.273 40.59459 87.21551       5.368967  87.21551       5.368967  87.21551       5.368967  1851.273 57.40942 1851.273 57.40942 -0.000000      0.000000 
1 1 1 -10 0  9  o 1417.234 37.36573 51.17133       3.779561  51.17133       3.779561  51.17133       3.779561  1417.234 52.84313 1417.234 52.84313 0.000000       0.000000 
1 1 1 -10 0  10 o 241.1952 81.20726 2.187294       1.602098  2.187294       1.602098  2.187294       1.602098  241.1952 114.8444 241.1952 114.8444 -0.000000      0.000000 
1 1 1 -10 0  11 o 1096.102 35.84085 30.71668       2.799029  30.71668       2.799029  30.71668       2.799029  1096.102 50.68662 1096.102 50.68662 0.000000       0.000000 
1 1 1 -10 0  12 o 1341.884 38.18568 46.03473       3.655214  46.03473       3.655214  46.03473       3.655214  1341.884 54.00270 1341.884 54.00270 -0.000000      0.000000 
1 1 1 -10 0  13 o 2348.705 38.77023 140.7769       6.511644  140.7769       6.511644  140.7769       6.511644  2348.705 54.82939 2348.705 54.82939 0.000000       0.000000 
1 1 1 -10 0  14 o 500.0297 47.73207 6.742143       1.621192  6.742143       1.621192  6.742143       1.621192  500.0297 67.50335 500.0297 67.50335 -0.000000      0.000000 
1 1 1 -10 0  15 o 190.6036 76.25230 1.307045       1.600970  1.307045       1.600970  1.307045       1.600970  190.6036 107.8370 190.6036 107.8370 0.000000       0.000000 
1 1 1 -10 0  16 o 262.3917 99.01178 2.847734       2.532019  2.847734       2.532019  2.847734       2.532019  262.3917 140.0238 262.3917 140.0238 0.000000       0.000000 
1 1 1 -10 0  17 o 995.2287 67.80233 27.36030       4.728328  27.36030       4.728328  27.36030       4.728328  995.2287 95.88697 995.2287 95.88697 -0.000000      0.000000 
1 1 1 -10 0  18 o 153.7160 70.80810 0.1240547      1.889095  0.1240547      1.889095  0.1240547      1.889095  153.7160 100.1378 153.7160 100.1378 0.000000       0.000000 
1 1 1 -10 0  19 o 422.2636 72.51534 5.661786       1.899905  5.661786       1.899905  5.661786       1.899905  422.2636 102.5522 422.2636 102.5522 0.000000       0.000000 
1 1 1 -10 0  20 o 394.2845 77.90805 5.343191       1.903035  5.343191       1.903035  5.343191       1.903035  394.2845 110.1786 394.2845 110.1786 -0.000000      0.000000 
1 1 1 -10 0  21 o 365.7668 92.25050 5.453187       2.204033  5.453187       2.204033  5.453187       2.204033  365.7668 130.4619 365.7668 130.4619 -0.000000      0.000000 
1 1 1 -10 0  22 o 151.9475 75.48030 -1.028322      3.161653  -1.028322      3.161653  -1.028322      3.161653  151.9475 106.7453 151.9475 106.7453 0.000000       0.000000 
1 1 1 -10 1  1  o 1527.527 53.70626 59.27282       4.153341  0.000000       0.000000  59.27282       4.153341  ?        ?        1527.527 53.70626 ?              ?        
1 1 1 -10 1  2  o 1116.159 43.57501 32.05433       2.309507  30.84129       3.966433  32.67653       2.840720  1097.914 71.75355 1134.403 49.46265 -36.48914      87.15002 
1 1 1 -10 1  3  o 1417.213 52.06120 51.26028       3.722668  47.70563       5.191536  55.02246       5.340937  1365.371 75.39594 1469.056 71.81174 -103.6854      104.1224 
1 1 1 -10 1  4  o 1928.012 49.93723 92.92742       4.611888  89.17412       5.618826  100.6767       8.073652  1871.756 59.29426 1984.269 80.36851 -112.5126      99.87445 
1 1 1 -10 1  5  o 2543.358 48.40513 165.0690       6.229854  171.1234       8.820131  159.0414       8.800588  2590.252 67.25884 2496.465 69.63100 93.78711       96.81026 
1 1 1 -10 1  6  o 2130.515 43.52993 115.5885       4.695222  115.7168       6.643078  115.4604       6.637019  2131.698 61.55453 2129.333 61.56670 2.365723       87.05985 
1 1 1 -10 1  7  o 2384.379 46.29004 144.7497       5.587816  145.4507       7.900622  144.0480       7.904108  2390.192 65.28973 2378.566 65.63781 11.62646       92.58008 
1 1 1 -10 1  8  o 1607.259 38.32909 65.64997       3.117860  67.69907       4.415617  63.61253       4.403049  1632.360 53.43080 1582.157 54.96931 50.20374       76.65817 
1 1 1 -10 1  9  o 688.0349 35.86694 12.12749       1.236521  11.34936       1.777733  12.85679       1.721053  666.1740 53.15276 709.8959 48.17190 -43.72198      71.73387 
1 1 1 -10 1  10 o 1820.981 57.21088 84.94030       5.269639  80.53044       7.427350  89.41013       7.477695  1772.893 82.74995 1869.069 79.02397 -96.17566      114.4218 
1 1 1 -10 1  11 o 697.8229 46.05831 12.12949       1.507925  13.75598       2.708995  11.39928       1.815124  728.9655 74.44845 666.6802 54.24850 62.28522       92.11662 
1 1 1 -10 1  12 o 2151.077 41.44038 118.5632       4.431811  116.3725       6.921130  120.0856       5.769840  2132.227 64.11504 2169.927 52.52123 -37.70068      82.88075 
1 1 1 -10 1  13 o 1350.358 33.40779 46.53397       2.281619  44.52517       3.245209  48.49757       3.208498  1321.250 48.51476 1379.466 45.94169 -58.21619      66.81557 
1 1 1 -10 1  14 o 874.6764 34.36515 19.61083       1.515241  20.34557       2.158139  18.89651       2.127928  891.0090 48.01977 858.3438 49.17271 32.66528       68.73030 
1 1 1 -10 1  15 o 306.2294 64.80751 2.503395       1.149466  1.303674       1.693592  3.528072       1.565173  253.5667 96.04410 358.8920 87.03783 -105.3253      129.6150 
1 1 1 -10 1  16 o 702.4574 61.22396 13.39928       2.069345  13.65846       2.659632  13.00169       3.294120  716.8901 74.36168 688.0246 97.28223 28.86554       122.4479 
1 1 1 -10 1  17 o 482.0021 99.36815 7.159170       2.576598  6.817150       3.715925  7.475887       3.575832  470.0312 143.2220 493.9730 137.7809 -23.94183      198.7363 
1 1 1 -10 1  18 o 874.8707 44.91813 20.96005       1.885996  23.37775       2.441848  17.38523       2.969229  946.7040 51.13692 803.0373 73.86181 143.6667       89.83625 
1 1 1 -10 1  19 o 305.5609 72.50336 2.643242       1.334747  2.161364       1.882071  3.130841       1.893212  284.3506 102.3837 326.7711 102.6865 -42.42053      145.0067 
1 1 1 -10 1  20 o 378.6069 75.36051 4.537924       1.537407  5.421558       2.117974  3.553765       2.235203  420.5412 100.7925 336.6725 112.0611 83.86871       150.7210 
1 1 1 -10 1  21 o 272.0323 65.84548 1.368491       1.338040  -1.088964      1.818719  4.268018       1.975543  177.4748 82.72276 366.5898 102.4669 -189.1150      131.6910 
1 1 1 -10 1  22 o 301.6369 89.41393 2.697334       2.281060  2.592171       3.000443  2.841353       3.511262  296.2870 122.6044 306.9868 130.1828 -10.69983      178.8279 
1 1 1 -10 2  1  o 1975.466 59.84917 99.24372       5.985651  0.000000       0.000000  99.24372       5.985651  ?        ?        1975.466 59.84917 ?              ?        
1 1 1 -10 2  2  o 1806.894 56.78575 83.00230       5.194642  0.000000       0.000000  83.00230       5.194642  ?        ?        1806.894 56.78575 ?              ?        
1 1 1 -10 2  3  o 315.7122 48.63349 2.605310       0.7594745 1.925473       1.029320  3.417684       1.125190  270.3260 73.34478 361.0984 63.88589 -90.77243      97.26698 
1 1 1 -10 2  4  o 2565.164 58.62887 165.8176       7.200511  160.6561       8.786763  176.3699       12.56374  2509.604 69.15762 2620.724 94.69213 -111.1201      117.2577 
1 1 1 -10 2  5  o 1892.075 40.73603 91.14079       3.900622  94.30751       5.528977  88.00291       5.503734  1924.959 56.73351 1859.191 58.47225 65.76819       81.47205 
1 1 1 -10 2  6  o 895.8866 34.46627 20.45609       1.556881  20.96936       2.198025  19.93932       2.205519  907.2864 48.02347 884.4867 49.45141 22.79974       68.93254 
1 1 1 -10 2  7  o 1651.050 38.58143 69.28677       3.224095  67.32353       4.552004  71.26308       4.567152  1627.496 55.24578 1674.604 53.87032 -47.10876      77.16286 
1 1 1 -10 2  8  o 2373.972 46.36499 143.4596       5.572443  143.0597       7.889492  143.8577       7.871785  2370.637 65.73555 2377.306 65.40402 -6.668945      92.72998 
1 1 1 -10 2  9  f 1716.056 39.31963 74.88575       3.415026  72.64770       4.822661  77.13668       4.836522  1690.232 56.35814 1741.880 54.84427 -51.64758      78.63927 
1 1 1 -10 2  10 o 2836.325 74.41775 207.8325       10.67897  198.9799       15.08387  216.7287       15.12089  2774.594 107.3815 2898.056 103.0593 -123.4624      148.8355 
1 1 1 -10 2  11 o 3432.854 74.65029 305.5727       12.21016  307.2512       21.19192  304.7385       14.93909  3425.222 122.2075 3440.487 85.76705 -15.26440      149.3006 
1 1 1 -10 2  12 o 1133.572 33.71451 32.74427       1.904395  32.66096       2.965419  32.80274       2.484415  1131.714 51.75661 1135.430 43.21952 -3.716675      67.42902 
1 1 1 -10 2  13 o 1190.267 36.12428 36.24350       2.143251  35.74068       3.323434  36.60150       2.804294  1182.268 55.52485 1198.266 46.22602 -15.99805      72.24856 
1 1 1 -10 2  14 o 1142.348 34.29717 33.31740       1.980956  34.21788       2.890054  32.51941       2.720607  1156.688 49.35215 1128.009 47.63977 28.67920       68.59434 
1 1 1 -10 2  15 o 402.1417 53.28513 4.285059       1.039358  5.254491       1.569694  3.528202       1.386958  443.7491 72.36490 360.5341 78.23388 83.21500       106.5703 
1 1 1 -10 2  16 o 437.2561 75.85715 5.091717       1.592335  4.317893       1.937330  6.702976       2.795536  392.0031 97.90801 482.5090 115.8933 -90.50592      151.7143 
1 1 1 -10 2  17 o 1048.843 56.40504 28.45050       2.794697  33.00626       5.003017  26.38417       3.369396  1098.807 90.74663 998.8792 67.01613 99.92780       112.8101 
1 1 1 -10 2  18 o 366.9882 64.48392 3.811177       1.246858  5.508988       1.807176  2.268716       1.722515  444.3533 83.39495 289.6230 98.37675 154.7303       128.9678 
1 1 1 -10 2  19 o 505.3692 62.76629 7.511426       1.504019  10.04289       2.107962  4.886384       2.146570  607.1788 69.84704 403.5596 104.3064 203.6193       125.5326 
1 1 1 -10 2  20 o 358.4825 71.81098 3.885333       1.369982  3.071310       1.823611  4.939925       2.075661  317.4342 100.9033 399.5309 102.2047 -82.09671      143.6220 
1 1 1 -10 2  21 o 284.2933 76.22764 2.340380       1.507518  2.373264       2.048789  2.301557       2.226141  284.5251 106.0831 284.0615 109.4942 0.4636230      152.4553 
1 1 1 -10 2  22 o 250.3627 81.94962 -1.080935      1.960274  -2.376396      2.212545  3.647979       4.227275  173.8732 83.86798 326.8522 140.8159 -152.9790      163.8992 
1 1 1 -10 3  1  o 914.7479 44.60756 20.23584       1.854888  18.82929       2.163596  24.13686       3.603201  859.5107 49.93641 969.9850 73.93034 -110.4744      89.21513 
1 1 1 -10 3  2  o 1312.333 52.25746 44.10848       3.453814  41.67880       4.882015  46.54297       4.886849  1275.616 75.93897 1349.051 71.80975 -73.43518      104.5149 
1 1 1 -10 3  3  o 1314.546 44.54567 43.68544       2.795310  45.28430       4.853423  42.89182       3.419390  1330.143 72.34395 1298.949 51.99634 31.19373       89.09133 
1 1 1 -10 3  4  o 3671.596 74.22442 340.1815       13.10373  324.9084       16.02171  371.0392       22.77332  3559.162 88.91547 3784.031 118.8743 -224.8682      148.4488 
1 1 1 -10 3  5  o 2685.859 61.78458 185.3705       7.902107  186.1851       9.673403  183.7366       13.70006  2700.638 70.75045 2671.079 101.3100 29.55884       123.5692 
1 1 1 -10 3  6  o 3436.091 59.91522 302.1154       10.42123  308.3465       14.74487  295.8961       14.73083  3471.858 83.88710 3400.323 85.57037 71.53540       119.8304 
1 1 1 -10 3  7  o 1774.972 39.91097 80.08752       3.586468  80.22694       5.076235  79.94854       5.067840  1776.515 56.44028 1773.429 56.44498 3.085693       79.82194 
1 1 1 -10 3  8  o 903.3563 34.01757 20.80846       1.547828  19.44854       2.217621  22.10028       2.161382  873.6268 50.35254 933.0858 45.75370 -59.45892      68.03513 
1 1 1 -10 3  9  o 1642.195 38.57405 68.55972       3.206803  69.54859       4.566387  67.59750       4.504456  1653.879 54.53627 1630.511 54.56762 23.36792       77.14810 
1 1 1 -10 3  10 o 278.2615 60.44278 2.007641       0.9595630 2.524552       1.260085  1.294127       1.480448  308.2320 80.03883 248.2911 90.59306 59.94095       120.8856 
1 1 1 -10 3  11 o 1819.549 50.90285 88.87344       4.001807  77.19477       7.818698  93.01877       4.658195  1727.473 89.70920 1911.626 48.13169 -184.1532      101.8057 
1 1 1 -10 3  12 o 868.3241 40.53208 19.64671       1.741541  21.86820       2.356755  16.97443       2.584838  924.7649 50.52971 811.8833 63.38885 112.8816       81.06416 
1 1 1 -10 3  13 o 1223.619 35.67674 38.21533       2.161577  38.28897       3.435701  38.16709       2.780941  1223.502 55.46603 1223.737 44.88696 -0.2347412     71.35348 
1 1 1 -10 3  14 o 759.8107 39.09073 14.62771       1.474947  16.51641       2.317585  13.34199       1.912171  799.9252 57.61299 719.6962 52.84963 80.22894       78.18146 
1 1 1 -10 3  15 o 494.6535 58.62469 7.299302       1.276265  4.718979       2.157938  8.687405       1.582752  411.0679 103.6993 578.2392 54.71626 -167.1713      117.2494 
1 1 1 -10 3  16 o 773.3067 56.90624 16.13857       2.071413  16.41328       2.566608  15.62536       3.508098  790.3412 64.71208 756.2722 93.62493 34.06909       113.8125 
1 1 1 -10 3  17 o 759.2460 59.44083 14.27289       2.135132  21.05837       3.797410  11.13610       2.581904  878.8172 86.46998 639.6749 81.58305 239.1423       118.8817 
1 1 1 -10 3  18 o 553.6311 55.91922 8.354012       1.511631  7.900535       2.000199  8.957945       2.308288  537.8253 75.54256 569.4369 82.46914 -31.61157      111.8384 
1 1 1 -10 3  19 o 328.6469 70.35318 2.789984       1.344764  1.291503       1.727801  5.092492       2.141750  245.1705 95.91457 412.1233 102.9499 -166.9529      140.7064 
1 1 1 -10 3  20 o 638.7447 50.41777 11.38731       1.592946  11.63564       2.163048  11.09302       2.354663  650.0015 66.67458 627.4879 75.64593 22.51367       100.8355 
1 1 1 -10 3  21 o 333.3938 70.73347 3.697614       1.527303  5.417772       1.913389  0.6770434      2.535500  421.6378 92.20432 245.1498 107.2906 176.4880       141.4669 
1 1 1 -10 3  22 o 233.3826 70.67136 0.4024808      1.618085  2.260057       2.231020  -1.658978      2.350268  276.6494 108.7634 190.1157 90.26788 86.53369       141.3427 
1 1 1 -10 4  1  o 861.0186 35.18622 18.90174       1.527245  18.96889       2.156768  18.83421       2.162946  862.5774 49.59682 859.4597 49.92429 3.117676       70.37244 
1 1 1 -10 4  2  o 1421.603 46.17060 52.47610       3.100570  48.97372       5.344390  54.25299       3.806684  1382.337 76.66658 1460.869 51.46973 -78.53198      92.34120 
1 1 1 -10 4  3  o 1230.364 52.87440 38.81800       3.277135  39.95543       4.649580  37.69514       4.619703  1248.523 73.88747 1212.205 75.65348 36.31738       105.7488 
1 1 1 -10 4  4  f 1047.487 44.68104 28.31532       2.170722  28.77011       2.616336  27.31071       3.888518  1063.924 48.57348 1031.050 75.00798 32.87415       89.36208 
1 1 1 -10 4  5  o 2693.297 71.84506 186.8362       9.783331  175.0232       13.77666  198.8539       13.89554  2606.109 104.4162 2780.486 98.71227 -174.3767      143.6901 
1 1 1 -10 4  6  o 1915.816 49.31943 92.04205       4.520580  98.17931       7.907110  89.06203       5.509844  1960.458 79.66665 1871.174 58.16227 89.28381       98.63886 
1 1 1 -10 4  7  o 1530.193 37.85767 59.50370       2.932408  59.07553       4.172456  59.92160       4.122103  1524.697 54.05361 1535.689 53.01905 -10.99231      75.71534 
1 1 1 -10 4  8  o 1326.716 36.24857 44.70467       2.432842  47.17430       3.472327  42.32340       3.409644  1362.783 50.32808 1290.649 52.18159 72.13403       72.49713 
1 1 1 -10 4  9  o 367.2466 48.66391 3.589082       0.8639157 2.474128       1.203877  4.772841       1.240467  305.3512 77.68735 429.1419 58.62917 -123.7907      97.32781 
1 1 1 -10 4  10 f 332.5509 61.01275 2.889104       1.029209  2.508016       1.352548  3.413280       1.586276  307.6854 84.32394 357.4164 88.20258 -49.73099      122.0255 
1 1 1 -10 4  11 o 1146.411 45.19101 33.43998       2.622864  0.000000       0.000000  33.43998       2.622864  ?        ?        1146.411 45.19101 ?              ?        
1 1 1 -10 4  12 o 1538.565 40.16805 60.24818       3.120657  54.61971       4.276228  66.66084       4.564403  1461.749 57.78360 1615.382 55.81167 -153.6337      80.33609 
1 1 1 -10 4  13 o 187.2208 54.69896 0.1101778      0.8548594 0.7986935      1.312099  -0.3976407     1.126845  216.5255 83.89378 157.9161 70.21209 58.60947       109.3979 
1 1 1 -10 4  14 o 796.4474 38.53618 16.04859       1.494517  17.54554       2.489393  15.20501       1.868767  823.5120 60.12455 769.3828 48.22020 54.12915       77.07236 
1 1 1 -10 4  15 o 304.2870 65.19643 2.558171       1.098500  1.851623       1.823562  2.960589       1.376221  279.7950 100.7759 328.7791 82.74368 -48.98416      130.3929 
1 1 1 -10 4  16 o 356.8547 77.40270 3.606003       1.476360  3.788796       1.765852  3.181515       2.690958  367.3202 94.43380 346.3893 122.6661 20.93082       154.8054 
1 1 1 -10 4  17 o 327.1194 82.74628 2.806897       1.954384  -1.456260      3.785178  4.356545       2.282113  267.7985 122.8653 386.4403 110.8688 -118.6418      165.4926 
1 1 1 -10 4  18 o 287.0414 70.66109 2.180934       1.254722  1.916869       1.684520  2.510018       1.880501  272.3425 96.98777 301.7404 102.7878 -29.39789      141.3222 
1 1 1 -10 4  19 o 588.1447 53.41808 9.392181       1.536280  8.315941       1.998272  10.94772       2.402374  548.3976 73.85179 627.8916 77.20024 -79.49396      106.8362 
1 1 1 -10 4  20 o 364.7857 77.29366 4.352585       1.566854  4.930289       2.022488  3.485361       2.477985  398.7863 100.2774 330.7851 117.6506 68.00119       154.5873 
1 1 1 -10 4  21 o 434.5396 71.16265 5.380567       1.507373  3.707257       1.851735  8.667404       2.595253  341.6642 100.4070 527.4149 100.8708 -185.7506      142.3253 
1 1 1 -10 4  22 o 259.2747 79.02692 1.409583       1.863801  1.233472       2.444776  1.653979       2.880005  249.8000 107.3486 268.7495 116.0055 -18.94943      158.0538 
1 1 1 -10 5  1  o 1818.634 40.53579 84.23381       3.729989  80.98675       5.279749  87.46922       5.270267  1783.422 58.47572 1853.846 56.15329 -70.42480      81.07158 
1 1 1 -10 5  2  o 2570.281 48.37494 168.6466       6.289977  160.5751       8.873334  176.7987       8.917573  2507.995 69.88380 2632.568 66.90884 -124.5725      96.74987 
1 1 1 -10 5  3  o 2230.422 55.00616 126.0341       5.854027  130.9806       10.23038  123.6259       7.138183  2258.853 89.45824 2201.992 64.03071 56.86060       110.0123 
1 1 1 -10 5  4  o 904.2450 42.99075 20.51977       1.805981  21.96921       3.301958  19.90111       2.157244  924.9186 71.05872 883.5713 48.40944 41.34735       85.98149 
1 1 1 -10 5  5  o 1633.444 46.39022 66.13689       3.613013  62.73222       4.371319  73.47749       6.418601  1570.534 54.97707 1696.355 74.73775 -125.8213      92.78043 
1 1 1 -10 5  6  o 1534.450 46.62308 60.30233       3.390518  60.81682       4.144010  59.26054       5.896844  1546.991 52.91141 1521.909 76.78040 25.08240       93.24616 
1 1 1 -10 5  7  o 1226.273 43.22380 38.27848       2.532078  38.19321       3.112612  38.44533       4.353797  1226.252 50.13738 1226.293 70.42323 -0.4150391E-01 86.44761 
1 1 1 -10 5  8  o 1431.623 46.65668 53.59010       3.132317  48.62001       5.428240  56.07115       3.835263  1377.708 78.14658 1485.537 50.99506 -107.8287      93.31336 
1 1 1 -10 5  9  o 1324.975 44.22799 44.07346       2.787723  46.97082       4.906213  42.69203       3.387728  1354.284 71.81374 1295.666 51.64542 58.61816       88.45599 
1 1 1 -10 5  10 o 2325.023 46.23905 138.0371       5.440376  132.4967       7.596943  143.8695       7.794570  2276.994 65.90119 2373.051 64.87860 -96.05664      92.47810 
1 1 1 -10 5  11 o 1010.418 41.97952 25.96562       2.147446  0.000000       0.000000  25.96562       2.147446  ?        ?        1010.418 41.97952 ?              ?        
1 1 1 -10 5  12 o 959.2233 37.76027 23.56109       1.825788  22.66425       2.560343  24.48901       2.604326  940.4736 53.99987 977.9730 52.79550 -37.49939      75.52053 
1 1 1 -10 5  13 o 1225.032 36.23494 38.60708       2.174200  37.38632       3.524560  39.35698       2.762418  1207.696 57.64526 1242.367 43.91933 -34.67078      72.46988 
1 1 1 -10 5  14 o 299.0176 66.10307 2.250169       1.060524  2.767746       1.851660  1.997502       1.293739  322.7229 101.5760 275.3124 84.62141 47.41052       132.2061 
1 1 1 -10 5  15 o 1253.121 34.58371 40.09380       2.186087  44.19454       3.260448  36.74471       2.946521  1310.825 49.13025 1195.417 48.68625 115.4075       69.16743 
1 1 1 -10 5  16 o 424.2347 75.48646 5.696620       1.772780  7.773452       2.223326  2.071397       2.937446  532.8553 85.29258 315.6140 124.5713 217.2414       150.9729 
1 1 1 -10 5  17 o 282.8456 89.05466 -1.186034      1.805885  3.951210       4.816015  -2.026543      1.948022  391.6755 157.8533 174.0156 82.49400 217.6599       178.1093 
1 1 1 -10 5  18 o 276.1258 71.16774 1.911058       1.304552  1.424784       1.832325  2.410931       1.857769  255.8835 99.14069 296.3681 102.1299 -40.48468      142.3355 
1 1 1 -10 5  19 o 268.5239 77.84727 1.307243       1.544387  0.9845087      1.820488  2.135793       2.916925  236.0823 96.35212 300.9656 122.2990 -64.88329      155.6945 
1 1 1 -10 5  20 f 349.7181 80.67297 3.753533       1.582619  3.063670       1.955569  5.062965       2.694224  313.7313 104.8293 385.7050 122.6512 -71.97363      161.3459 
1 1 1 -10 5  21 o 428.8076 78.57320 6.477434       1.747496  7.367394       2.147674  4.733927       3.006040  494.8868 88.99113 362.7283 129.5205 132.1585       157.1464 
1 1 1 -10 5  22 o 315.6675 83.22433 3.526517       1.793966  3.835371       2.353406  3.098110       2.771711  329.0518 114.8602 302.2832 120.4670 26.76859       166.4487 
1 1 1 -10 6  1  o 817.0357 34.32381 17.04139       1.412163  16.33716       2.003894  17.73615       1.990374  800.0432 49.72010 834.0283 47.33294 -33.98511      68.64762 
1 1 1 -10 6  2  o 1038.365 36.38404 27.53640       1.903337  28.98757       2.643692  25.97475       2.742475  1067.810 48.90273 1008.919 53.88613 58.89166       72.76807 
1 1 1 -10 6  3  o 1054.811 34.38394 28.29817       1.835076  29.04427       2.575486  27.52879       2.615353  1069.033 47.58656 1040.588 49.64415 28.44592       68.76788 
1 1 1 -10 6  4  o 450.2545 61.41802 6.056738       1.146829  3.985684       2.305000  6.738082       1.322082  388.2630 111.4326 512.2460 51.68623 -123.9831      122.8360 
1 1 1 -10 6  5  o 1178.387 46.10162 35.12786       2.515563  34.65448       3.002590  36.24252       4.607421  1167.826 50.78487 1188.949 76.95670 -21.12341      92.20324 
1 1 1 -10 6  6  o 1135.685 34.77161 32.75509       1.998991  32.95536       2.853357  32.56205       2.801361  1139.070 49.47912 1132.300 48.86793 6.770630       69.54321 
1 1 1 -10 6  7  o 2094.323 52.82501 112.7258       5.266397  109.4198       9.092193  114.3949       6.460489  2068.194 86.83478 2120.453 60.18014 -52.25854      105.6500 
1 1 1 -10 6  8  o 502.6436 41.04253 6.529203       1.010711  7.824055       1.456033  5.325068       1.404103  552.2780 52.71518 453.0092 62.92111 99.26871       82.08506 
1 1 1 -10 6  9  o 877.3894 51.76377 19.65505       2.289149  19.65505       2.289149  0.000000       0.000000  877.3894 51.76377 ?        ?        ?              ?        
1 1 1 -10 6  10 o 345.5624 54.59747 3.255508       0.9315134 3.806377       1.249496  2.566274       1.397635  380.2226 67.37672 310.9023 85.92969 69.32037       109.1949 
1 1 1 -10 6  11 o 389.9211 68.03629 4.008461       1.294224  0.000000       0.000000  4.008461       1.294224  ?        ?        389.9211 68.03629 ?              ?        
1 1 1 -10 6  12 o 1226.400 39.14462 38.44120       2.429864  39.34489       3.482707  37.58407       3.391791  1240.415 55.45827 1212.385 55.25925 28.03040       78.28924 
1 1 1 -10 6  13 o 667.5924 40.56832 11.39728       1.335155  12.14631       2.114481  10.90061       1.721827  684.7347 61.65674 650.4502 52.74089 34.28448       81.13664 
1 1 1 -10 6  14 o 683.8217 38.71539 11.88602       1.312963  13.50650       2.061778  10.78058       1.702892  721.9606 56.86894 645.6827 52.54949 76.27789       77.43078 
1 1 1 -10 6  15 o 637.4178 43.83460 9.925161       1.342929  13.62438       2.319964  8.061008       1.646900  720.4702 64.27866 554.3655 59.61662 166.1047       87.66920 
1 1 1 -10 6  16 o 553.4142 71.21411 9.086703       1.780459  10.00342       2.186460  7.282373       3.067489  611.2120 72.04275 495.6165 122.8643 115.5954       142.4282 
1 1 1 -10 6  17 o 523.0216 97.52593 7.249934       1.989010  10.87281       5.397604  6.680678       2.139576  558.6450 173.0342 487.3981 90.02448 71.24689       195.0519 
1 1 1 -10 6  18 o 586.8066 57.76933 9.604736       1.571546  9.693803       1.941351  9.435408       2.676777  600.2242 64.92053 573.3890 95.57461 26.83527       115.5387 
1 1 1 -10 6  19 o 540.2603 68.08430 8.974997       1.708543  10.07552       2.181403  7.228471       2.748042  602.2508 73.03836 478.2698 114.9230 123.9810       136.1686 
1 1 1 -10 6  20 o 275.5284 72.57730 1.021783       1.510858  -1.072601      1.904260  4.580238       2.482154  182.2568 84.84930 368.8000 117.7729 -186.5432      145.1546 
1 1 1 -10 6  21 o 349.1025 79.19505 4.229296       1.649325  4.985463       2.095833  2.999224       2.673088  391.5637 103.9764 306.6413 119.4836 84.92242       158.3901 
1 1 1 -10 6  22 o 434.6160 118.3763 6.864992       2.675189  0.000000       0.000000  6.864992       2.675189  ?        ?        434.6160 118.3763 ?              ?        
1 1 1 -10 7  1  o 3239.067 56.45109 268.6799       9.252320  258.7332       13.08202  278.6349       13.08750  3178.393 81.29868 3299.741 78.34173 -121.3479      112.9022 
1 1 1 -10 7  2  o 1329.000 35.27673 44.86113       2.372020  42.69227       3.303813  47.16851       3.407685  1295.824 50.35998 1362.175 49.41318 -66.35083      70.55345 
1 1 1 -10 7  3  o 1405.647 36.49862 50.23388       2.597383  50.31753       3.673414  50.15025       3.673094  1406.822 51.57592 1404.472 51.65773 2.350098       72.99725 
1 1 1 -10 7  4  o 1269.032 44.84351 40.76270       2.673820  41.96102       4.775375  40.21544       3.227116  1280.087 74.00152 1257.977 50.67085 22.10999       89.68701 
1 1 1 -10 7  5  o 1706.283 47.34241 72.49064       3.833081  69.53555       4.625983  78.96393       6.846699  1653.793 55.25090 1758.774 76.89314 -104.9811      94.68482 
1 1 1 -10 7  6  o 1415.482 36.34924 50.90923       2.598920  55.56852       3.716529  46.45050       3.635660  1479.042 49.63331 1351.922 53.11877 127.1206       72.69849 
1 1 1 -10 7  7  o 1094.378 34.89837 30.41454       1.933112  31.26275       2.765613  29.60422       2.703124  1109.300 49.24463 1079.457 49.46263 29.84326       69.79675 
1 1 1 -10 7  8  o 664.9797 37.04921 11.34440       1.231389  10.12232       1.737650  12.57722       1.745268  628.3023 55.18660 701.6572 49.44710 -73.35486      74.09842 
1 1 1 -10 7  9  o 426.0262 53.53155 4.841194       1.103317  5.562534       1.529241  4.058071       1.593385  461.7885 67.39622 390.2639 83.18807 71.52454       107.0631 
1 1 1 -10 7  10 o 793.0950 35.18168 16.29817       1.377580  14.86144       2.111648  17.36266       1.817631  761.2141 55.16812 824.9760 43.67472 -63.76190      70.36336 
1 1 1 -10 7  11 o 758.6075 50.43296 14.74395       1.925900  0.000000       0.000000  14.74395       1.925900  ?        ?        758.6075 50.43296 ?              ?        
1 1 1 -10 7  12 f 873.6470 54.43997 19.85050       2.381576  18.94270       3.307240  20.82830       3.432356  852.6313 77.46146 894.6628 76.51511 -42.03149      108.8799 
1 1 1 -10 7  13 o 469.9705 58.28413 6.347855       1.177327  4.929692       2.191629  6.923106       1.395831  423.1202 103.2270 516.8207 54.15112 -93.70050      116.5683 
1 1 1 -10 7  14 o 1266.647 44.17043 41.76081       2.453854  41.37782       4.842680  41.89312       2.846321  1254.305 76.62795 1278.989 43.95753 -24.68433      88.34087 
1 1 1 -10 7  15 o 250.0518 62.82373 1.189144       1.104603  2.587589       1.580732  -0.1454046     1.544198  307.2509 93.36614 192.8526 84.08359 114.3983       125.6475 
1 1 1 -10 7  16 o 793.8384 65.68788 17.26039       2.240184  17.12445       2.601753  17.65007       4.404984  804.6786 64.40430 782.9982 114.5062 21.68036       131.3758 
1 1 1 -10 7  17 o 514.0276 100.4229 7.815804       2.165354  9.440183       5.637391  7.534670       2.345261  512.7807 177.8396 515.2745 93.33858 -2.493835      200.8457 
1 1 1 -10 7  18 o 1058.880 42.40577 29.83222       2.242864  29.83338       2.981032  29.83072       3.404824  1062.491 55.61222 1055.269 64.03342 7.222290       84.81155 
1 1 1 -10 7  19 o 676.3348 75.67331 13.41073       2.288162  15.59719       4.269653  12.52975       2.710215  690.7048 126.7720 661.9648 82.67204 28.73993       151.3466 
1 1 1 -10 7  20 o 344.5174 96.83247 3.993049       2.477169  5.371103       3.964252  3.110254       3.172914  373.1739 145.4793 315.8608 127.8354 57.31311       193.6649 
1 1 1 -10 7  21 f 180.7687 82.97069 -0.6030679     1.728597  -0.6030679     1.728597  0.000000       0.000000  180.7687 82.97069 ?        ?        ?              ?        
1 1 1 -10 8  1  f 1378.228 36.87693 48.30348       2.572480  47.07707       3.638505  49.52925       3.637568  1360.655 52.81915 1395.800 51.47593 -35.14526      73.75387 
1 1 1 -10 8  2  o 782.1066 34.82599 15.60783       1.369019  14.33635       1.918581  16.92680       1.954077  749.3185 50.87574 814.8947 47.57160 -65.57617      69.65198 
1 1 1 -10 8  3  o 1885.592 40.78089 90.45515       3.892907  89.43934       5.487703  91.48418       5.523272  1874.913 57.81305 1896.271 57.53238 -21.35852      81.56178 
1 1 1 -10 8  4  o 370.9595 59.56240 3.862239       0.9927693 3.028531       1.949928  4.153969       1.153459  342.0273 103.6451 399.8916 58.72312 -57.86432      119.1248 
1 1 1 -10 8  5  o 940.2295 35.21656 22.53211       1.669431  21.79092       2.368597  23.26378       2.353342  924.6953 50.78974 955.7638 48.79783 -31.06854      70.43313 
1 1 1 -10 8  6  o 1316.767 45.63000 43.44816       2.826745  42.12691       3.401509  46.39735       5.081953  1287.398 52.18854 1346.136 74.86485 -58.73804      91.26001 
1 1 1 -10 8  7  o 1215.747 35.73343 37.56358       2.198367  39.19354       3.136791  35.99021       3.081857  1241.723 49.89732 1189.771 51.16414 51.95251       71.46686 
1 1 1 -10 8  8  o 1146.741 35.87104 33.50326       2.079553  31.63748       2.953591  35.33739       2.928434  1114.850 52.32993 1178.631 49.07653 -63.78088      71.74209 
1 1 1 -10 8  9  o 1141.567 37.19968 33.27766       2.145425  34.59061       2.979570  31.86402       3.091715  1165.299 50.50476 1117.834 54.63090 47.46497       74.39937 
1 1 1 -10 8  10 o 340.4579 66.65061 3.390389       1.018665  1.603805       2.655193  3.698736       1.103073  305.1528 119.0333 375.7630 60.00230 -70.61020      133.3012 
1 1 1 -10 8  11 o 543.0331 44.04988 7.682719       1.183185  7.282564       1.725286  8.038014       1.625703  528.6695 65.89059 557.3967 58.48075 -28.72717      88.09976 
1 1 1 -10 8  12 o 543.6111 57.19855 7.892907       1.470675  7.554369       2.388314  8.099681       1.866533  530.4568 92.28323 556.7653 67.60548 -26.30847      114.3971 
1 1 1 -10 8  13 o 1606.732 37.64933 66.21162       2.991458  66.73250       4.777431  65.87566       3.836723  1609.466 58.63123 1603.998 47.24686 5.467407       75.29865 
1 1 1 -10 8  14 o 1021.930 48.09722 28.42430       2.321590  31.24875       2.927864  23.64105       3.810174  1100.871 52.53285 942.9885 80.58331 157.8823       96.19444 
1 1 1 -10 8  15 o 228.7205 67.48124 0.3705173      1.240665  -0.3899650E-01 1.521592  1.182824       2.143008  194.2269 84.07803 263.2141 105.5735 -68.98717      134.9625 
1 1 1 -10 8  16 o 504.5342 112.7311 7.487278       2.806964  7.487278       2.806964  0.000000       0.000000  504.5342 112.7311 ?        ?        ?              ?        
1 1 1 -10 8  17 o 333.4252 98.03737 3.222878       1.764952  0.000000       0.000000  3.222878       1.764952  ?        ?        333.4252 98.03737 ?              ?        
1 1 1 -10 8  18 o 188.8071 62.68135 -1.400407      1.446070  -0.9337809     1.745442  -2.421676      2.582207  180.1713 82.94640 197.4429 93.99841 -17.27159      125.3627 
1 1 1 -10 8  19 o 314.9111 76.42781 2.833147       1.386000  2.297930       1.667519  4.029195       2.492757  279.8015 96.73988 350.0208 118.3479 -70.21930      152.8556 
1 1 1 -10 8  20 o 177.7495 58.29379 -1.004274      1.221833  -1.573607      1.574123  -0.1413719     1.937919  153.2107 73.06448 202.2882 90.85287 -49.07751      116.5876 
1 1 1 -10 8  21 o 189.5203 87.16999 -0.5830418     1.921689  -0.5830418     1.921689  0.000000       0.000000  189.5203 87.16999 ?        ?        ?              ?        
1 1 1 -10 9  1  o 834.1393 35.81409 17.75354       1.504219  18.52557       2.129824  16.98517       2.124759  852.4380 49.56512 815.8405 51.70973 36.59747       71.62819 
1 1 1 -10 9  2  o 1358.418 36.37749 46.90266       2.501557  47.65678       3.539191  46.14978       3.536282  1369.373 51.05035 1347.464 51.83773 21.90833       72.75499 
1 1 1 -10 9  3  o 2016.924 41.87362 103.5360       4.274930  105.8769       6.045431  101.1948       6.045897  2039.851 58.53899 1993.996 59.88979 45.85437       83.74724 
1 1 1 -10 9  4  o 2119.604 52.57537 112.3845       5.319967  121.5343       9.373526  108.0367       6.461468  2179.284 84.95824 2059.924 61.95786 119.3604       105.1507 
1 1 1 -10 9  5  o 1103.111 34.83004 30.90615       1.944749  31.66295       2.783838  30.18476       2.717927  1116.295 49.25851 1089.927 49.25573 26.36865       69.66009 
1 1 1 -10 9  6  o 1112.292 46.29368 31.20609       2.382175  30.59708       2.838561  32.65654       4.380668  1096.999 51.11029 1127.585 77.20206 -30.58643      92.58736 
1 1 1 -10 9  7  o 1468.230 37.53553 54.94078       2.786107  51.90033       3.957917  57.92725       3.922621  1427.653 54.75961 1508.807 51.35220 -81.15393      75.07106 
1 1 1 -10 9  8  o 656.7400 41.69674 11.14615       1.363806  11.80593       1.874672  10.40440       1.987715  678.3070 55.06559 635.1730 62.62790 43.13397       83.39349 
1 1 1 -10 9  9  o 1023.041 38.40057 26.73773       1.964506  22.11752       2.712475  31.83478       2.849013  928.6141 57.98624 1117.468 50.35884 -188.8538      76.80115 
1 1 1 -10 9  10 o 690.6047 59.80888 12.45237       1.442162  12.58847       3.712778  12.42818       1.565054  684.1270 111.0001 697.0826 44.58014 -12.95563      119.6178 
1 1 1 -10 9  11 f 535.4152 48.15728 7.457733       1.258971  7.705070       1.955183  7.282542       1.645504  541.8013 73.14937 529.0291 62.65514 12.77216       96.31457 
1 1 1 -10 9  12 o 669.2196 51.04559 11.73825       1.594750  11.68371       2.767808  11.76535       1.951184  664.0862 84.21687 674.3530 57.70727 -10.26678      102.0912 
1 1 1 -10 9  13 o 863.8501 38.81652 19.69563       1.611755  17.73273       2.633739  20.87086       2.037912  824.9516 63.55034 902.7486 44.58974 -77.79700      77.63305 
1 1 1 -10 9  14 o 384.0134 70.65393 4.493735       1.226205  2.923714       2.848706  4.850785       1.358498  341.3922 125.4992 426.6347 64.94511 -85.24258      141.3079 
1 1 1 -10 9  15 o 361.8208 73.59610 3.864326       1.335447  2.983098       2.730871  4.141297       1.530996  336.9603 123.0263 386.6813 80.80892 -49.72107      147.1922 
1 1 1 -10 9  16 o 366.1011 96.79859 3.873387       1.821503  3.873387       1.821503  0.000000       0.000000  366.1011 96.79859 ?        ?        ?              ?        
1 1 1 -10 9  17 o 284.7875 92.47146 -0.2415323     2.611408  -1.614904      5.697780  0.1236677      2.938170  310.9432 145.4258 258.6317 114.2595 52.31146       184.9429 
1 1 1 -10 9  18 o 623.7130 65.50230 11.28588       1.814688  11.25559       2.168569  11.35665       3.314571  640.7579 67.88290 606.6680 112.0452 34.08990       131.0046 
1 1 1 -10 9  19 o 458.4352 71.35303 6.567699       1.617202  7.829305       2.346130  5.425592       2.232255  506.7699 94.93307 410.1005 106.5492 96.66943       142.7061 
1 1 1 -10 9  20 o 254.7509 71.99686 1.485610       1.349626  0.8985596      1.665313  2.609095       2.303784  219.4239 91.11327 290.0779 111.5014 -70.65399      143.9937 
1 1 1 -10 9  21 o 149.7570 71.98907 -1.728329      1.595932  -1.728329      1.595932  0.000000       0.000000  149.7570 71.98907 ?        ?        ?              ?        
1 1 1 -10 10 1  o 1013.493 35.47928 26.14291       1.816653  26.95286       2.571975  25.33653       2.566304  1029.882 49.32822 997.1033 51.00827 32.77905       70.95856 
1 1 1 -10 10 2  o 1061.919 35.57615 28.66403       1.911486  29.95451       2.714190  27.39415       2.692439  1085.714 49.37888 1038.124 51.22865 47.58984       71.15229 
1 1 1 -10 10 3  o 833.7421 34.79273 17.74865       1.459449  18.21372       2.022530  17.24340       2.108073  845.4042 47.44668 822.0800 50.90136 23.32416       69.58546 
1 1 1 -10 10 4  o 2137.660 41.92171 116.3615       4.534899  120.7577       6.431086  112.0136       6.395692  2178.024 58.32275 2097.296 60.23434 80.72827       83.84342 
1 1 1 -10 10 5  o 1177.590 45.98904 35.61682       2.505998  34.99015       4.536386  35.89206       3.006363  1167.059 77.21372 1188.121 49.98009 -21.06226      91.97808 
1 1 1 -10 10 6  o 1358.376 46.29157 46.27037       2.955084  44.75915       3.550794  49.67545       5.329972  1325.988 52.89347 1390.763 75.98630 -64.77454      92.58314 
1 1 1 -10 10 7  o 1736.284 37.17426 77.55870       3.192911  73.06129       5.003103  80.64906       4.147273  1692.083 58.40285 1780.484 46.00879 -88.40088      74.34851 
1 1 1 -10 10 8  o 775.9011 40.12326 15.45959       1.563765  16.25442       2.218682  14.67496       2.204384  796.0801 55.39477 755.7220 58.05966 40.35815       80.24653 
1 1 1 -10 10 9  o 690.3536 37.92769 12.29919       1.256900  12.05559       2.097775  12.43561       1.569889  683.4140 61.28157 697.2933 44.70580 -13.87933      75.85538 
1 1 1 -10 10 10 o 1091.048 49.53746 31.57963       2.143079  29.37956       4.759990  32.13897       2.400096  1058.863 89.63529 1123.233 42.20608 -64.36975      99.07491 
1 1 1 -10 10 11 o 806.1259 63.35502 18.83672       2.016063  14.25675       4.092077  20.30474       2.316746  723.0372 115.6896 889.2147 51.68515 -166.1775      126.7100 
1 1 1 -10 10 12 o 1464.964 52.81956 58.30753       3.535490  50.13277       6.270795  62.11699       4.280722  1375.441 90.55926 1554.486 54.39344 -179.0449      105.6391 
1 1 1 -10 10 13 f 308.8091 65.94698 2.488198       1.170491  3.664299       1.698806  1.425247       1.615020  363.3123 92.20408 254.3059 94.31026 109.0063       131.8940 
1 1 1 -10 10 14 o 423.6190 60.89474 5.025247       1.259295  5.761432       1.744977  4.225133       1.819165  460.0597 77.68553 387.1784 93.79572 72.88129       121.7895 
1 1 1 -10 10 15 f 376.7145 63.66609 4.071701       1.197423  3.582026       1.801026  4.459634       1.603038  353.3443 97.49820 400.0846 81.89985 -46.74026      127.3322 
1 1 1 -10 10 16 f 502.0099 76.88004 6.950492       1.891710  6.950492       1.891710  0.000000       0.000000  502.0099 76.88004 ?        ?        ?              ?        
1 1 1 -10 10 17 o 741.5731 61.86038 14.75876       2.301273  0.000000       0.000000  14.75876       2.301273  ?        ?        741.5731 61.86038 ?              ?        
1 1 1 -10 10 18 o 472.2797 68.29919 6.765420       1.574873  7.163703       2.165282  6.318076       2.294769  492.3907 90.18366 452.1686 102.5964 40.22214       136.5984 
1 1 1 -10 10 19 f 406.3030 68.83951 5.416604       1.427011  6.563179       1.890882  3.899566       2.175011  470.8972 82.31157 341.7088 110.3645 129.1884       137.6790 
1 1 1 -10 10 20 o 328.4213 90.69306 3.204271       1.749622  2.684280       1.912963  5.865005       4.327226  289.4498 103.3258 367.3927 149.0795 -77.94296      181.3861 
1 1 1 -10 10 21 f 277.3129 90.85743 0.3035225      1.781926  -0.5835657     1.881456  8.028666       5.552187  184.3991 85.32559 370.2267 160.4364 -185.8276      181.7149 
1 1 1 -10 11 1  o 1402.692 38.00262 50.04808       2.698080  48.52076       3.788082  51.62070       3.843851  1380.918 54.18359 1424.466 53.30043 -43.54822      76.00525 
1 1 1 -10 11 2  o 1118.983 36.24579 31.84386       2.053315  32.08355       2.904118  31.60427       2.903535  1123.212 51.07034 1114.753 51.44754 8.459229       72.49158 
1 1 1 -10 11 3  o 970.1335 36.72224 24.09987       1.789677  26.13060       2.488222  21.92329       2.576034  1013.833 48.47736 926.4339 55.17278 87.39923       73.44447 
1 1 1 -10 11 4  o 305.4164 48.62637 2.340591       0.7427152 3.625051       1.167439  1.467238       0.9626511 371.7257 64.36469 239.1070 72.90599 132.6187       97.25275 
1 1 1 -10 11 5  o 183.7198 54.72007 0.3413931      0.6766677 -0.6143083     1.824352  0.4938452      0.7286422 201.7160 89.52827 165.7236 62.94309 35.99239       109.4401 
1 1 1 -10 11 6  o 323.1186 66.56733 3.133554       1.198550  3.934510       1.332783  -0.2526473     2.740386  386.0038 70.80945 260.2334 112.7424 125.7703       133.1347 
1 1 1 -10 11 7  o 893.4718 38.79621 20.45366       1.746082  20.45690       2.445930  20.45029       2.493421  893.6517 54.31964 893.2919 55.40723 0.3598633      77.59242 
1 1 1 -10 11 8  o 1132.266 37.79358 32.74098       2.163306  32.89103       3.148450  32.60679       2.977459  1134.457 54.81823 1130.075 52.04210 4.382080       75.58716 
1 1 1 -10 11 9  f 373.3955 63.19925 3.673829       1.152091  0.000000       0.000000  3.673829       1.152091  ?        ?        373.3955 63.19925 ?              ?        
1 1 1 -10 11 10 o 395.0464 74.34849 4.690309       1.400589  2.549410       3.092789  5.242631       1.570900  344.9900 130.0010 445.1028 72.18396 -100.1128      148.6970 
1 1 1 -10 11 11 o 699.8915 42.37879 12.56166       1.478445  14.38188       2.227914  11.12936       1.976300  745.1017 59.55856 654.6812 60.30444 90.42059       84.75758 
1 1 1 -10 11 12 o 969.7589 39.33040 24.48047       1.907651  22.89838       2.819246  25.81660       2.590853  939.0293 59.61108 1000.489 51.32290 -61.45923      78.66080 
1 1 1 -10 11 13 o 708.7854 39.18520 13.11124       1.370444  13.01371       2.138521  13.17921       1.785183  704.5599 60.54120 713.0109 49.76628 -8.450928      78.37040 
1 1 1 -10 11 14 o 342.6484 62.08677 3.319181       1.155068  1.724950       1.646489  4.864129       1.620840  265.1295 95.72070 420.1672 79.09877 -155.0378      124.1735 
1 1 1 -10 11 15 o 699.8461 44.41682 13.08844       1.545175  11.44957       2.186924  14.72217       2.183495  653.2426 67.07883 746.4496 58.23957 -93.20709      88.83365 
1 1 1 -10 11 16 o 474.8073 81.41512 6.330213       1.886626  6.330213       1.886626  0.000000       0.000000  474.8073 81.41512 ?        ?        ?              ?        
1 1 1 -10 11 17 o 672.1799 70.64035 12.44109       2.367970  0.000000       0.000000  12.44109       2.367970  ?        ?        672.1799 70.64035 ?              ?        
1 1 1 -10 11 18 o 483.7950 67.21513 7.119390       1.586133  6.512928       2.181499  7.799581       2.310301  459.9841 96.74342 507.6059 93.33920 -47.62183      134.4303 
1 1 1 -10 11 19 o 285.6198 72.58346 2.560245       1.329129  2.483818       1.763514  2.660747       2.022292  281.8165 99.35580 289.4231 105.8388 -7.606628      145.1669 
1 1 1 -10 11 20 o 533.9186 65.28967 8.959193       1.691797  7.841111       2.391644  10.07899       2.393482  491.7769 99.47759 576.0602 84.58826 -84.28336      130.5793 
1 1 1 -10 11 21 o 305.9273 88.96975 3.269809       1.774986  2.938693       1.904049  5.466836       4.904620  287.9913 103.0551 323.8633 145.0590 -35.87201      177.9395 
1 1 1 -10 12 1  o 866.1316 36.19749 19.14886       1.579547  18.72483       2.195689  19.60368       2.274002  856.2134 50.88183 876.0497 51.49828 -19.83630      72.39498 
1 1 1 -10 12 2  o 277.1097 77.43416 1.122945       1.548102  1.408814       2.608716  0.9675459      1.923390  298.9906 117.5898 255.2287 100.7811 43.76192       154.8683 
1 1 1 -10 12 3  o 579.1924 39.83677 8.607629       1.150487  7.851820       1.584906  9.449504       1.672713  551.9374 57.56629 606.4473 55.08170 -54.50989      79.67353 
1 1 1 -10 12 4  o 727.1987 36.85823 13.54295       1.347945  13.47289       1.909991  13.61247       1.902593  725.2765 52.36900 729.1210 51.88068 -3.844482      73.71646 
1 1 1 -10 12 5  o 801.6350 51.19646 16.83237       1.813531  16.15893       3.455219  17.08843       2.130598  786.1749 88.34006 817.0952 51.77205 -30.92023      102.3929 
1 1 1 -10 12 6  o 221.9073 60.05777 0.1295124      1.166414  2.023530       1.510984  -2.663674      1.834923  283.2503 92.03301 160.5643 77.18591 122.6860       120.1155 
1 1 1 -10 12 7  o 511.9968 52.55976 6.964832       1.250080  6.633571       2.111550  7.143587       1.551116  499.0585 86.72031 524.9352 59.41130 -25.87671      105.1195 
1 1 1 -10 12 8  o 672.0627 42.95998 11.60423       1.425589  12.10396       2.227306  11.25744       1.855432  683.2853 65.17666 660.8403 55.98429 22.44501       85.91995 
1 1 1 -10 12 9  o 456.1244 66.93870 5.058613       1.126880  6.474531       2.947577  4.816239       1.219521  482.5801 120.8982 429.6687 57.50468 52.91135       133.8774 
1 1 1 -10 12 10 o 458.0411 54.26066 6.427672       1.053194  3.749145       1.864779  7.682249       1.276227  369.9137 98.00634 546.1686 46.60078 -176.2550      108.5213 
1 1 1 -10 12 11 o 801.6253 37.87105 16.67823       1.459662  16.36565       2.439575  16.85253       1.821724  793.2021 61.22381 810.0485 44.59271 -16.84644      75.74210 
1 1 1 -10 12 12 o 827.8337 37.97943 17.64044       1.548941  18.48816       2.482370  17.09994       1.982155  842.1204 58.58977 813.5471 48.34240 28.57330       75.95885 
1 1 1 -10 12 13 o 344.2837 57.89773 3.269784       1.078453  1.376992       1.496993  5.312069       1.554986  245.5849 90.85371 442.9825 71.79270 -197.3976      115.7955 
1 1 1 -10 12 14 o 617.9202 46.33420 10.14820       1.419040  10.75075       2.147193  9.680943       1.890816  632.9803 68.07347 602.8600 62.87634 30.12024       92.66840 
1 1 1 -10 12 15 o 588.7736 50.36255 9.480596       1.461504  10.12300       2.021653  8.777313       2.115281  612.7285 66.22443 564.8185 75.89381 47.90997       100.7251 
1 1 1 -10 12 16 o 391.4716 94.48232 4.531183       1.851163  4.531183       1.851163  0.000000       0.000000  391.4716 94.48232 ?        ?        ?              ?        
1 1 1 -10 12 17 o 504.8179 85.41309 7.419950       2.105083  0.000000       0.000000  7.419950       2.105083  ?        ?        504.8179 85.41309 ?              ?        
1 1 1 -10 12 18 o 179.0903 58.67162 -0.9985642     1.241087  -1.659337      1.611010  -0.3388782E-01 1.946538  153.5713 73.42419 204.6093 91.53320 -51.03807      117.3432 
1 1 1 -10 12 19 o 193.1471 61.10063 -0.6492223E-01 1.225650  -0.4233644     1.669067  0.3545786      1.805638  180.2800 82.28882 206.0143 90.34211 -25.73422      122.2013 
1 1 1 -10 12 20 o 250.9345 71.50943 1.320433       1.579248  3.371505       2.169031  -0.9935354     2.303849  307.4897 109.9968 194.3793 91.40623 113.1104       143.0189 
1 1 1 -10 13 1  o 1735.034 39.54630 76.84755       3.473368  75.32562       4.896840  78.38857       4.927472  1717.645 56.31171 1752.423 55.53944 -34.77783      79.09259 
1 1 1 -10 13 2  o 967.4146 36.71661 23.94220       1.790872  24.29334       2.507211  23.57642       2.558933  974.8573 50.97738 959.9718 52.85590 14.88550       73.43323 
1 1 1 -10 13 3  o 774.6793 42.69362 15.63668       1.619749  14.44222       2.528282  16.46822       2.109512  747.5608 67.53207 801.7977 52.25325 -54.23694      85.38725 
1 1 1 -10 13 4  o 411.7381 52.37213 4.950659       0.9995192 2.615957       1.529922  6.689192       1.320217  314.0746 90.97211 509.4016 51.91758 -195.3270      104.7443 
1 1 1 -10 13 5  o 806.5980 56.11207 17.53584       2.165465  14.17089       3.337719  19.98178       2.845660  732.9069 91.97930 880.2892 64.29670 -147.3824      112.2241 
1 1 1 -10 13 6  o 398.1661 59.76591 5.648054       1.338705  8.092743       1.571133  -0.8298828     2.557522  559.5831 56.21839 236.7491 105.4862 322.8340       119.5318 
1 1 1 -10 13 7  o 186.9767 54.26787 0.3283007      0.8210478 -0.3141158     1.396765  0.6674719      1.014903  180.6032 79.32189 193.3501 74.08133 -12.74687      108.5357 
1 1 1 -10 13 8  o 1309.719 46.26765 45.68212       2.558652  41.64861       5.217817  46.95908       2.935866  1262.592 82.07423 1356.846 42.73877 -94.25439      92.53530 
1 1 1 -10 13 9  o 1083.256 48.04424 28.43053       2.341769  35.12282       4.660719  26.17048       2.708476  1157.872 79.99817 1008.640 53.22866 149.2321       96.08849 
1 1 1 -10 13 10 o 550.8340 47.64098 8.080370       1.156077  7.759403       2.164827  8.208425       1.367383  537.9717 82.08383 563.6964 48.38280 -25.72461      95.28195 
1 1 1 -10 13 11 f 563.8210 42.92964 8.379832       1.138551  8.228387       1.939633  8.459447       1.406327  556.4457 70.42816 571.1963 49.10896 -14.75055      85.85928 
1 1 1 -10 13 12 o 1209.766 38.94405 38.28306       2.366277  35.12550       3.436419  41.13021       3.263142  1159.211 58.74637 1260.322 51.14117 -101.1113      77.88810 
1 1 1 -10 13 13 o 975.9955 38.89616 25.05589       1.902646  22.14076       2.721002  27.84487       2.661481  917.0499 58.91922 1034.941 50.79536 -117.8911      77.79231 
1 1 1 -10 13 14 o 311.7670 68.87316 2.742742       1.225257  3.462620       1.772358  2.083767       1.695730  344.6251 97.31177 278.9088 97.49086 65.71625       137.7463 
1 1 1 -10 13 15 o 297.6947 65.86588 2.304643       1.264365  0.3942386      1.789055  4.210894       1.787110  217.0712 92.51621 378.3183 93.77637 -161.2471      131.7318 
1 1 1 -10 13 16 o 288.2525 89.64203 2.429967       1.446999  2.429967       1.446999  0.000000       0.000000  288.2525 89.64203 ?        ?        ?              ?        
1 1 1 -10 13 17 o 129.1994 64.10278 -3.351711      1.598792  0.000000       0.000000  -3.351711      1.598792  ?        ?        129.1994 64.10278 ?              ?        
1 1 1 -10 13 18 o 252.6847 70.32068 1.628729       1.362672  0.6929095      1.892548  2.636172       1.963636  218.9866 94.28296 286.3828 104.3586 -67.39613      140.6414 
1 1 1 -10 13 19 o 184.0974 59.27210 -0.3028366     1.213155  -0.2218386     1.656508  -0.3965335     1.781637  183.2135 82.98145 184.9812 84.65698 -1.767731      118.5442 
1 1 1 -10 13 20 o 163.1976 55.43924 -1.580148      1.270832  -1.113855      2.077535  -1.858946      1.606435  180.5736 85.48312 145.8217 70.61638 34.75188       110.8785 
1 1 1 -10 14 1  o 1212.632 42.96677 37.73507       2.528637  37.78632       4.197504  37.70587       3.167991  1210.242 68.79110 1215.022 51.50104 -4.780518      85.93353 
1 1 1 -10 14 2  o 592.4348 56.02146 9.057157       1.660326  9.057157       1.660326  0.000000       0.000000  592.4348 56.02146 ?        ?        ?              ?        
1 1 1 -10 14 3  o 480.0757 47.81439 6.008838       1.125770  5.716709       1.515458  6.368547       1.681637  467.2874 65.88714 492.8640 69.30909 -25.57657      95.62878 
1 1 1 -10 14 4  o 799.7373 42.49916 16.38995       1.665633  16.03464       2.122768  16.95916       2.686776  790.0131 53.38768 809.4616 66.13979 -19.44855      84.99832 
1 1 1 -10 14 5  o 936.3681 58.02726 23.70601       2.604835  19.38680       4.053334  26.74475       3.399822  855.5526 95.19384 1017.184 66.38361 -161.6310      116.0545 
1 1 1 -10 14 6  o 728.5008 46.42041 13.17490       1.636864  11.60896       2.024297  16.13281       2.782140  669.6272 60.36025 787.3744 70.54117 -117.7472      92.84081 
1 1 1 -10 14 7  o 860.2359 47.28310 19.31555       1.681703  18.94852       3.564893  19.42061       1.907260  848.1814 84.12814 872.2904 43.18821 -24.10901      94.56620 
1 1 1 -10 14 8  o 525.7513 65.81867 6.940774       1.208107  8.238357       3.243493  6.731757       1.301778  541.5752 121.3089 509.9274 51.11300 31.64780       131.6373 
1 1 1 -10 14 9  o 610.7045 56.24453 8.352225       1.268573  12.53058       3.346773  7.651183       1.370868  677.8622 100.5717 543.5469 50.38974 134.3153       112.4891 
1 1 1 -10 14 10 o 570.9559 47.43275 8.907485       1.209553  7.882399       2.163369  9.373650       1.458881  540.1979 81.65077 601.7140 48.29713 -61.51605      94.86549 
1 1 1 -10 14 11 o 631.0470 48.90288 10.97781       1.451543  7.569145       2.098708  14.10367       2.009764  526.8789 81.29442 735.2151 54.38000 -208.3362      97.80576 
1 1 1 -10 14 12 o 320.0514 65.91979 2.858646       1.112713  3.121068       1.785379  2.691977       1.422846  330.7971 98.93714 309.3056 87.13850 21.49155       131.8396 
1 1 1 -10 14 13 o 479.0266 54.34052 6.415163       1.241479  5.930810       1.938424  6.752007       1.616524  457.8745 86.79825 500.1786 65.40359 -42.30414      108.6810 
1 1 1 -10 14 14 o 250.3553 63.89346 1.603719       1.045526  1.269224       1.560003  1.876489       1.408735  238.4455 91.72996 262.2652 88.96690 -23.81969      127.7869 
1 1 1 -10 14 15 o 358.6876 94.55830 3.851610       1.741498  3.851610       1.741498  0.000000       0.000000  358.6876 94.55830 ?        ?        ?              ?        
1 1 1 -10 14 16 o 197.4784 62.79345 -0.3784824     1.346557  0.6691003      1.550235  -3.597880      2.717633  210.5426 87.70721 184.4141 89.88612 26.12851       125.5869 
1 1 1 -10 14 17 o 322.5749 76.46874 2.887913       1.336787  5.338085       2.642108  2.044886       1.549790  383.9652 121.3914 261.1845 93.02686 122.7808       152.9375 
1 1 1 -10 14 18 o 235.1429 68.84789 1.308970       1.343058  1.555281       1.885760  1.055417       1.913281  242.6903 98.43633 227.5955 96.28300 15.09476       137.6958 
1 1 1 -10 14 19 o 413.3428 63.37052 5.593824       1.299110  6.911835       1.814037  4.206221       1.861313  477.3247 77.74297 349.3608 100.0966 127.9640       126.7410 
1 1 1 -10 15 1  o 1795.474 50.48820 84.31913       4.339479  86.59582       5.375835  80.06107       7.351919  1837.025 57.80260 1753.923 82.79548 83.10193       100.9764 
1 1 1 -10 15 2  o 1319.324 52.04303 44.55304       3.476144  44.55304       3.476144  0.000000       0.000000  1319.324 52.04303 ?        ?        ?              ?        
1 1 1 -10 15 3  o 1133.061 43.24616 32.96847       2.402861  32.66439       3.050728  33.46537       3.899849  1129.233 53.36250 1136.889 68.06883 -7.655273      86.49232 
1 1 1 -10 15 4  o 513.5907 47.63942 7.402537       1.113017  4.806939       1.689363  9.393351       1.479515  423.0240 81.84047 604.1574 48.78726 -181.1334      95.27885 
1 1 1 -10 15 5  f 464.4855 73.18221 6.659445       1.596901  3.838579       2.928514  7.853163       1.905053  382.3020 128.2805 546.6691 70.47445 -164.3671      146.3644 
1 1 1 -10 15 6  o 401.1823 69.59126 4.935462       1.645863  0.3425666      2.737479  7.535611       2.059713  269.9484 114.7318 532.4161 78.79328 -262.4677      139.1825 
1 1 1 -10 15 7  o 956.2795 46.92200 22.91219       1.840572  25.30805       4.078119  22.29931       2.062594  978.7535 83.08563 933.8055 43.62884 44.94800       93.84401 
1 1 1 -10 15 8  o 440.1957 67.39564 4.334105       1.081825  7.005159       2.973660  3.926659       1.161409  495.5047 119.8476 384.8867 61.68654 110.6180       134.7913 
1 1 1 -10 15 9  o 610.8436 41.86652 9.113225       1.191389  11.62662       2.211327  8.085284       1.414186  663.9316 66.68941 557.7557 50.63345 106.1760       83.73305 
1 1 1 -10 15 10 o 273.6977 65.94880 1.841950       1.102844  2.611883       1.686070  1.266234       1.457987  307.9046 96.93035 239.4909 89.45102 68.41370       131.8976 
1 1 1 -10 15 11 o 158.0735 51.71006 -0.7348331     0.8823290 -1.256533      1.694205  -0.5406749     1.033555  172.7520 80.29368 143.3950 65.18163 29.35704       103.4201 
1 1 1 -10 15 12 o 396.6309 57.90429 5.075377       1.135119  2.080195       1.824634  6.966441       1.449831  281.3695 100.8621 511.8922 56.90742 -230.5227      115.8086 
1 1 1 -10 15 13 o 355.0149 59.98516 3.862218       1.132597  1.878419       1.725038  5.365349       1.501579  268.4597 97.81526 441.5701 69.46259 -173.1104      119.9703 
1 1 1 -10 15 14 o 247.0705 53.03626 0.3670852      1.019427  3.897249       1.554105  -2.299068      1.350596  365.6296 85.48646 128.5114 62.79687 237.1181       106.0725 
1 1 1 -10 15 15 o 471.2154 66.72342 7.033962       1.507153  8.508870       1.975490  4.979903       2.331302  550.1617 72.70647 392.2690 111.9010 157.8927       133.4468 
1 1 1 -10 15 16 o 196.7875 61.25846 -0.6967855E-01 1.226019  -1.063586      1.750988  0.8862529      1.717210  172.5025 80.65893 221.0725 92.22002 -48.56999      122.5169 
1 1 1 -10 15 17 o 150.1998 50.46738 -1.348957      1.052701  -1.935879      1.537218  -0.8306402     1.444584  142.5771 69.05348 157.8225 73.61687 -15.24538      100.9348 
1 1 1 -10 15 18 o 240.1939 68.70741 1.582516       1.298030  1.848156       1.856599  1.328514       1.815474  249.3988 98.84532 230.9890 95.45907 18.40974       137.4148 
1 1 1 -10 15 19 o 303.4000 66.94269 3.308053       1.263184  4.489091       1.663712  1.700530       1.940996  366.6973 90.23116 240.1027 98.91224 126.5945       133.8854 
1 1 1 -10 16 1  o 382.8355 52.45286 4.102415       0.9600366 4.926642       1.268424  2.997010       1.468932  433.6630 59.32953 332.0080 86.51715 101.6550       104.9057 
1 1 1 -10 16 2  o 683.5904 42.23579 11.89814       1.420032  11.03860       1.814604  13.25616       2.280888  653.2474 55.38993 713.9333 63.77621 -60.68591      84.47159 
1 1 1 -10 16 3  o 1176.870 36.86869 35.51939       2.191189  35.75746       3.219063  35.31385       2.991097  1180.008 53.88413 1173.733 50.33588 6.275269       73.73737 
1 1 1 -10 16 4  o 1189.379 37.69382 36.79496       2.237247  31.49265       3.243565  41.60683       3.089914  1104.266 58.22410 1274.492 47.88789 -170.2253      75.38763 
1 1 1 -10 16 5  o 1546.573 52.44844 63.68565       3.736988  59.32509       6.704375  65.65106       4.501055  1496.306 88.90176 1596.841 55.67613 -100.5349      104.8969 
1 1 1 -10 16 6  o 683.9926 100.6035 12.77688       3.379684  0.000000       0.000000  12.77688       3.379684  ?        ?        683.9926 100.6035 ?              ?        
1 1 1 -10 16 7  o 640.6799 51.15807 8.602614       1.341686  15.42092       3.213400  7.163014       1.476548  757.9454 85.21960 523.4145 56.62344 234.5309       102.3161 
1 1 1 -10 16 8  o 499.1538 72.92963 7.571654       1.321394  6.025025       3.365106  7.853611       1.436802  449.5645 136.1398 548.7431 52.35336 -99.17859      145.8593 
1 1 1 -10 16 9  o 549.4159 48.80194 8.307010       1.174675  7.540360       2.168364  8.625460       1.397507  523.2396 84.75434 575.5923 48.40682 -52.35272      97.60389 
1 1 1 -10 16 10 o 221.8107 61.47951 0.8476633      0.9716679 1.353583       1.632206  0.5699486      1.209300  247.5315 94.15995 196.0898 79.07481 51.44171       122.9590 
1 1 1 -10 16 11 f 381.3262 66.21206 3.664687       1.134768  5.631606       2.313215  3.041347       1.302224  434.6550 106.0583 327.9974 79.29562 106.6576       132.4241 
1 1 1 -10 16 12 o 288.9830 67.52428 2.340070       1.234975  3.348525       1.639460  1.017199       1.877722  337.5832 92.97018 240.3828 97.95235 97.20047       135.0486 
1 1 1 -10 16 13 o 678.1322 43.31126 12.26196       1.450168  15.24370       2.173483  9.869563       1.946874  754.5958 57.32139 601.6687 64.94398 152.9271       86.62253 
1 1 1 -10 16 14 o 274.7238 61.66649 1.866652       1.075170  3.733945       1.630389  0.4296896      1.430236  351.9392 90.87481 197.5082 83.38342 154.4310       123.3330 
1 1 1 -10 16 15 o 368.2396 72.13373 4.194921       1.359330  3.541463       1.713539  5.304255       2.232630  334.9549 96.06194 401.5243 107.6346 -66.56940      144.2675 
1 1 1 -10 16 16 o 393.0979 65.09183 3.058676       1.426804  11.18093       2.814395  0.2490075      1.655291  590.3397 97.57611 195.8560 86.17822 394.4837       130.1837 
1 1 1 -10 16 17 o 315.3759 70.69161 3.454542       1.268413  3.289776       1.893699  3.588613       1.708221  305.8957 103.1530 324.8561 96.68855 -18.96042      141.3832 
1 1 1 -10 16 18 o 240.3187 69.44394 1.602595       1.355085  2.367193       1.981178  0.9304441      1.857551  264.1952 102.8863 216.4423 93.29660 47.75287       138.8879 
1 1 1 -10 16 19 o 230.2801 64.71368 1.138667       1.311257  3.296763       1.850532  -1.037558      1.858289  292.7932 101.8718 167.7670 79.83472 125.0261       129.4274 
1 1 1 -10 17 1  o 496.1075 45.93647 6.439893       1.119416  6.907810       1.697363  6.079720       1.489176  511.5154 67.16766 480.6998 62.68288 30.81558       91.87295 
1 1 1 -10 17 2  o 431.8844 45.26110 4.946115       0.9510983 4.833307       1.432177  5.035117       1.272117  426.0051 68.74499 437.7637 58.89310 -11.75858      90.52221 
1 1 1 -10 17 3  o 577.1224 37.99054 8.511869       1.068208  9.256655       1.748669  8.068494       1.349205  595.6661 58.75091 558.5787 48.18147 37.08746       75.98107 
1 1 1 -10 17 4  o 525.9611 40.85170 7.226017       1.016387  7.258523       1.722144  7.208643       1.259048  524.2199 66.37625 527.7023 47.64072 -3.482361      81.70340 
1 1 1 -10 17 5  o 811.0328 93.66080 17.86367       3.775022  0.000000       0.000000  17.86367       3.775022  ?        ?        811.0328 93.66080 ?              ?        
1 1 1 -10 17 6  f 443.6620 70.15871 5.284908       1.523455  0.000000       0.000000  5.284908       1.523455  ?        ?        443.6620 70.15871 ?              ?        
1 1 1 -10 17 7  o 207.4171 66.48423 -0.1861232     0.9749173 -0.9931475E-01 2.898634  -0.1971957     1.035228  259.4927 114.1126 155.3414 68.25629 104.1513       132.9685 
1 1 1 -10 17 8  o 541.2614 58.58098 8.664330       1.434170  5.683872       2.230306  10.76561       1.872687  443.7843 101.4758 638.7383 58.56274 -194.9540      117.1620 
1 1 1 -10 17 9  o 327.4679 59.90036 3.279148       1.001651  2.027024       1.796475  3.844009       1.206614  279.2737 100.0840 375.6621 65.84379 -96.38837      119.8007 
1 1 1 -10 17 10 o 555.6928 47.35186 8.212034       1.286744  9.313268       2.037836  7.481847       1.659383  584.6221 70.25803 526.7635 63.50280 57.85864       94.70373 
1 1 1 -10 17 11 o 450.1314 66.47169 6.330566       1.333227  4.974846       2.511075  6.862761       1.573295  397.3921 116.9641 502.8708 63.19299 -105.4787      132.9434 
1 1 1 -10 17 12 o 239.2471 62.48979 1.452019       0.9977044 1.278198       1.546211  1.576020       1.305956  235.7791 91.14983 242.7151 85.50790 -6.935974      124.9796 
1 1 1 -10 17 13 o 348.6307 59.73991 3.821074       1.069210  2.452416       1.701199  4.714724       1.374647  287.4310 97.76550 409.8304 68.68286 -122.3994      119.4798 
1 1 1 -10 17 14 o 532.5201 51.99338 8.030951       1.354466  8.837004       2.072592  7.430084       1.789455  553.9149 75.90375 511.1254 71.07649 42.78946       103.9868 
1 1 1 -10 17 15 o 286.0557 72.77744 2.705964       1.348132  2.982496       1.663014  2.175897       2.302438  301.9145 96.39904 270.1970 109.0571 31.71747       145.5549 
1 1 1 -10 17 16 o 405.1474 86.82772 5.238543       1.727401  0.000000       0.000000  5.238543       1.727401  ?        ?        405.1474 86.82772 ?              ?        
1 1 1 -10 17 17 o 205.7506 64.71250 0.3185599      1.426864  1.308485       1.737063  -1.734965      2.501869  224.8783 93.19001 186.6230 89.81345 38.25534       129.4250 
1 1 1 -10 17 18 o 192.6490 62.20459 0.4087118E-01  1.358342  -0.4638079     1.914882  0.5520357      1.927147  181.4987 84.69307 203.7994 91.13027 -22.30075      124.4092 
1 1 1 -10 18 1  o 201.6506 51.38020 0.9217616      0.6747477 0.6970565      1.018806  1.097337       0.9005698 193.0182 74.15948 210.2831 71.13419 -17.26492      102.7604 
1 1 1 -10 18 2  o 1317.383 43.68171 46.72205       2.520982  42.32426       4.857444  48.34330       2.949282  1262.492 76.35604 1372.274 42.45139 -109.7816      87.36341 
1 1 1 -10 18 3  o 347.7799 51.49283 4.308839       0.8691143 0.8042534      1.681154  5.587125       1.015320  231.3031 93.24844 464.2568 43.71243 -232.9537      102.9857 
1 1 1 -10 18 4  o 544.5347 47.31727 7.704809       1.291487  0.000000       0.000000  7.704809       1.291487  ?        ?        544.5347 47.31727 ?              ?        
1 1 1 -10 18 5  o 299.5706 82.34042 2.494013       1.287463  0.000000       0.000000  2.494013       1.287463  ?        ?        299.5706 82.34042 ?              ?        
1 1 1 -10 18 6  o 293.1131 83.63744 2.397494       1.302185  0.000000       0.000000  2.397494       1.302185  ?        ?        293.1131 83.63744 ?              ?        
1 1 1 -10 18 7  o 357.9216 60.59890 3.161108       0.9502679 4.727520       2.005645  2.707691       1.079072  402.9629 99.01941 312.8803 69.88605 90.08252       121.1978 
1 1 1 -10 18 8  o 317.3464 62.84866 2.183692       0.9950059 4.908107       1.975308  1.257369       1.151806  409.5938 96.79131 225.0990 80.19513 184.4947       125.6973 
1 1 1 -10 18 9  o 500.0559 50.96417 6.697512       1.228679  7.944834       1.991015  5.930337       1.561465  535.1202 75.59684 464.9916 68.37035 70.12854       101.9283 
1 1 1 -10 18 10 o 460.3988 67.43307 5.824055       1.764312  12.60914       2.740169  1.019257       2.305883  667.3123 82.89392 253.4854 106.3836 413.8269       134.8661 
1 1 1 -10 18 11 o 382.2595 71.64101 4.493177       1.272225  4.382268       2.670410  4.525742       1.446993  365.2780 122.4975 399.2410 74.32429 -33.96298      143.2820 
1 1 1 -10 18 12 o 448.1969 61.36320 6.587195       1.326338  3.150653       2.022574  9.179997       1.756825  317.0225 106.6068 579.3714 60.80109 -262.3489      122.7264 
1 1 1 -10 18 13 o 244.9956 66.30821 1.597599       1.140776  1.400128       1.823034  1.724687       1.462500  242.4024 97.32131 247.5888 90.08706 -5.186432      132.6164 
1 1 1 -10 18 14 o 310.5609 67.05241 3.137444       1.151609  3.347201       1.658471  2.942137       1.600327  320.0299 95.27431 301.0918 94.37642 18.93814       134.1048 
1 1 1 -10 18 15 o 248.7043 97.45278 1.905168       1.785836  1.905168       1.785836  0.000000       0.000000  248.7043 97.45278 ?        ?        ?              ?        
1 1 1 -10 18 16 o 152.6916 73.87231 -1.827905      1.747960  0.000000       0.000000  -1.827905      1.747960  ?        ?        152.6916 73.87231 ?              ?        
1 1 1 -10 18 17 o 266.5271 68.23473 2.430048       1.240033  3.594911       1.803101  1.384705       1.708096  310.5862 100.5049 222.4680 92.31838 88.11821       136.4695 
1 1 1 -10 18 18 o 162.5268 56.35490 -1.469410      1.323250  -1.188641      1.492738  -2.499466      2.859171  145.6290 69.90442 179.4245 88.41309 -33.79544      112.7098 
1 1 1 -10 19 1  o 349.3431 64.58687 2.042866       0.7984816 6.178477       2.534846  1.587300       0.8413120 457.6554 110.6268 241.0308 66.69002 216.6246       129.1737 
1 1 1 -10 19 2  o 366.1735 48.67845 3.675438       0.8091968 3.601578       1.448609  3.708939       0.9755995 358.4389 81.65137 373.9081 53.02280 -15.46912      97.35690 
1 1 1 -10 19 3  o 1129.379 42.92938 32.93390       2.454585  0.000000       0.000000  32.93390       2.454585  ?        ?        1129.379 42.92938 ?              ?        
1 1 1 -10 19 4  o 758.3576 61.34389 15.26787       2.335035  0.000000       0.000000  15.26787       2.335035  ?        ?        758.3576 61.34389 ?              ?        
1 1 1 -10 19 5  o 521.5089 64.10837 7.318931       1.656979  0.000000       0.000000  7.318931       1.656979  ?        ?        521.5089 64.10837 ?              ?        
1 1 1 -10 19 6  o 222.7474 65.88216 0.7854491      1.022465  -0.5177386     2.679179  1.007607       1.106189  235.4288 106.1805 210.0659 78.02267 25.36292       131.7643 
1 1 1 -10 19 7  o 658.6831 47.63635 12.45888       1.341740  10.24669       2.504129  13.34974       1.589103  602.2764 84.44662 715.0899 44.10958 -112.8135      95.27270 
1 1 1 -10 19 8  o 451.0639 64.00182 6.016881       1.354829  5.660499       2.269972  6.214084       1.688568  429.9991 105.1479 472.1288 72.99896 -42.12976      128.0036 
1 1 1 -10 19 9  o 944.7880 41.52512 23.74442       1.954101  25.67975       3.039934  22.38162       2.550961  974.2469 61.95463 915.3290 55.30793 58.91791       83.05025 
1 1 1 -10 19 10 o 689.0481 56.56038 13.55063       1.851669  13.55834       2.325861  13.53729       3.059923  701.2607 66.29838 676.8355 91.65606 24.42517       113.1208 
1 1 1 -10 19 11 o 285.5592 73.19361 2.490503       1.301829  1.071050       3.001664  2.819355       1.444781  266.3552 116.6501 304.7632 88.44194 -38.40805      146.3872 
1 1 1 -10 19 12 o 259.2242 66.97057 1.905864       1.136358  2.408895       1.751032  1.539870       1.493599  279.5342 98.95486 238.9143 90.26717 40.61987       133.9411 
1 1 1 -10 19 13 o 427.1790 61.18664 5.737176       1.278721  7.193008       1.811573  4.291550       1.805212  493.4710 74.86202 360.8869 96.80339 132.5841       122.3733 
1 1 1 -10 19 14 o 221.8427 68.66498 0.3774889      1.659666  2.218798       2.076495  -2.879269      2.761596  260.6248 104.1386 183.0607 89.52464 77.56403       137.3300 
1 1 1 -10 19 15 o 213.2906 93.90427 0.8198264      1.967905  0.8198264      1.967905  0.000000       0.000000  213.2906 93.90427 ?        ?        ?              ?        
1 1 1 -10 19 16 o 197.6344 88.21262 0.4825023      1.796937  0.000000       0.000000  0.4825023      1.796937  ?        ?        197.6344 88.21262 ?              ?        
1 1 1 -10 19 17 o 191.2223 60.55492 -0.1997138E-01 1.263892  -1.519321      1.698676  1.839466       1.891689  150.4933 72.81248 231.9513 96.77777 -81.45799      121.1098 
1 1 1 -10 20 1  f 227.9657 65.92052 0.9844421      0.9992045 1.220643       1.074607  -0.5236859     2.715362  219.9635 77.55735 235.9679 106.6157 -16.00441      131.8410 
1 1 1 -10 20 2  o 258.3036 79.35841 0.4620177      1.940232  1.085711       2.777444  -0.1324310     2.711546  273.1332 115.8024 243.4741 108.5396 29.65916       158.7168 
1 1 1 -10 20 3  f 243.4381 69.20975 0.6522385      0.7350377 2.916687       2.775915  0.4814968      0.7622454 323.4892 122.8573 163.3869 63.76542 160.1023       138.4195 
1 1 1 -10 20 4  o 490.0942 69.32033 4.807129       1.411571  12.79033       3.354845  3.089788       1.556009  655.6809 104.5774 324.5075 91.02093 331.1734       138.6407 
1 1 1 -10 20 5  o 200.3761 64.27882 -1.562533      1.569794  0.8042455      2.097832  -4.574100      2.366400  240.4672 101.2239 160.2849 79.25142 80.18227       128.5576 
1 1 1 -10 20 6  o 278.0596 73.88554 2.051045       1.173587  0.9330839      3.295832  2.213379       1.255906  279.1768 122.2497 276.9423 83.01385 2.234467       147.7711 
1 1 1 -10 20 7  o 389.8078 68.61440 4.450138       1.296177  5.307839       2.227255  4.010886       1.593889  411.4520 106.2009 368.1636 86.90869 43.28842       137.2288 
1 1 1 -10 20 8  o 262.0923 69.24185 1.729334       1.082747  2.191217       2.307054  1.598860       1.226176  283.7461 110.8803 240.4386 82.96569 43.30743       138.4837 
1 1 1 -10 20 9  o 294.8925 65.01096 2.671295       1.070879  2.373643       1.745476  2.850958       1.356090  281.6195 98.88396 308.1654 84.42550 -26.54593      130.0219 
1 1 1 -10 20 10 o 393.8973 81.38270 5.235878       1.683603  5.049568       2.101759  5.569510       2.812544  394.3353 103.8428 393.4592 125.3365 0.8760986      162.7654 
1 1 1 -10 20 11 o 344.0761 70.56075 4.404998       1.456738  1.456527       2.899171  5.400827       1.684876  264.3015 115.2241 423.8508 81.47811 -159.5494      141.1215 
1 1 1 -10 20 12 o 389.5950 63.94722 4.938787       1.245371  4.115733       1.818828  5.665243       1.708763  349.4202 98.54894 429.7697 81.51744 -80.34958      127.8944 
1 1 1 -10 20 13 o 214.1637 63.60265 1.068040       1.149044  0.4325105      2.072298  1.350170       1.380733  209.2983 93.97922 219.0291 85.72686 -9.730774      127.2053 
1 1 1 -10 20 14 f 206.0306 64.58716 0.6332667      1.320769  1.127751       2.043911  0.2787483      1.730633  221.0572 96.54879 191.0040 85.81571 30.05322       129.1743 
1 1 1 -10 20 15 o 218.3507 71.92956 0.1464398      1.953850  -1.392040      2.650344  1.977922       2.891730  189.5826 91.53046 247.1187 110.9848 -57.53607      143.8591 
1 1 1 -10 20 16 o 192.8376 87.27021 0.4615693      1.827920  0.000000       0.000000  0.4615693      1.827920  ?        ?        192.8376 87.27021 ?              ?        
1 1 1 -10 21 1  o 404.1376 70.73375 4.315056       0.9117416 5.914680       3.153948  4.169191       0.9524044 413.1284 132.8448 395.1467 48.63452 17.98178       141.4675 
1 1 1 -10 21 2  o 198.1523 58.87905 0.7609078      0.6822861 -4.310831      3.369107  0.9778016      0.6967224 204.5924 99.80043 191.7123 62.50475 12.88013       117.7581 
1 1 1 -10 21 3  f 329.4232 75.16446 2.728653       0.8772821 3.964030       3.596518  2.650498       0.9046066 349.4771 137.8705 309.3694 59.92088 40.10773       150.3289 
1 1 1 -10 21 4  o 654.1991 87.19392 14.15120       2.739973  15.07584       3.630291  12.92724       4.176730  699.8182 105.7635 608.5800 138.6549 91.23816       174.3878 
1 1 1 -10 21 5  o 459.4515 90.45043 7.284074       2.124309  7.244022       2.605739  7.363444       3.668169  475.5631 110.3579 443.3400 143.3396 32.22305       180.9009 
1 1 1 -10 21 6  o 340.2507 94.86328 3.912846       2.423571  3.297389       3.615731  4.414943       3.265811  326.0470 134.7275 354.4544 133.5839 -28.40744      189.7266 
1 1 1 -10 21 7  o 347.8179 68.01328 3.589544       1.188978  4.651818       2.050828  3.051728       1.459243  379.5636 103.7558 316.0721 87.96563 63.49142       136.0266 
1 1 1 -10 21 8  o 305.9700 66.95275 2.884028       1.121161  3.290394       1.802992  2.627831       1.431605  319.7996 100.1635 292.1404 88.87046 27.65915       133.9055 
1 1 1 -10 21 9  o 267.0406 63.90391 2.133956       1.118932  0.8802706      1.674772  3.144758       1.503815  217.8321 90.98820 316.2492 89.75514 -98.41708      127.8078 
1 1 1 -10 21 10 o 250.2930 73.38462 1.623477       1.523885  2.025900       1.872823  0.8350138      2.621476  259.5815 100.3259 241.0045 107.1258 18.57697       146.7692 
1 1 1 -10 21 11 o 205.3083 66.48633 0.2749551      1.304111  -1.874413      3.444568  0.6345892      1.408996  215.9499 104.2822 194.6666 82.50421 21.28326       132.9727 
1 1 1 -10 21 12 o 207.5560 63.60464 0.8291810      1.206199  0.7829252      1.990496  0.8560236      1.516315  213.0921 94.09757 202.0198 85.60285 11.07227       127.2093 
1 1 1 -10 21 13 o 178.0240 58.34156 -0.2945262     1.191090  0.2938409      1.993069  -0.6213998     1.485553  197.7072 90.11855 158.3409 74.11880 39.36621       116.6831 
1 1 1 -10 21 14 o 304.4303 74.30182 3.518250       1.499491  6.001914       2.303955  1.693106       1.975041  379.3364 112.1464 229.5243 97.49991 149.8121       148.6036 
1 1 1 -10 21 15 o 233.7650 76.58016 1.724796       2.169502  2.231362       2.785285  0.9433417      3.459422  241.3316 108.6064 226.1985 107.9941 15.13318       153.1603 
1 1 1 -10 21 16 o 241.0216 99.11396 2.527577       1.944619  0.000000       0.000000  2.527577       1.944619  ?        ?        241.0216 99.11396 ?              ?        
1 1 1 -10 22 1  f 292.8799 64.17485 1.006903       0.6404666 5.922450       2.459663  0.6493787      0.6633494 420.0331 113.1347 165.7266 60.61507 254.3065       128.3497 
1 1 1 -10 22 2  o 326.2856 69.37359 3.695298       1.192801  1.564328       3.081336  4.070910       1.293661  275.9118 119.5427 376.6595 70.42963 -100.7477      138.7472 
1 1 1 -10 22 3  o 408.3976 75.65637 5.462130       1.073889  5.219974       3.826978  5.482827       1.118842  365.9664 142.8639 450.8287 49.85439 -84.86224      151.3127 
1 1 1 -10 22 4  o 507.5613 57.24137 7.245952       1.369214  8.961106       2.345449  6.359262       1.686399  545.4199 87.92965 469.7029 73.31219 75.71701       114.4827 
1 1 1 -10 22 5  o 249.9564 64.29408 0.8964627      1.140120  3.737050       1.965167  -0.5447498     1.399779  336.1117 104.4569 163.8010 74.99115 172.3107       128.5882 
1 1 1 -10 22 6  o 718.8570 73.34946 16.05032       2.009329  17.00899       4.464187  15.80676       2.250143  681.2346 134.2121 756.4794 59.22578 -75.24475      146.6989 
1 1 1 -10 22 7  o 484.6664 84.03614 8.018806       1.905252  7.515383       2.252250  9.285515       3.572637  487.1182 94.73781 482.2147 138.8274 4.903503       168.0723 
1 1 1 -10 22 8  o 276.1350 78.23679 2.235727       1.422249  2.757464       3.338860  2.120073       1.572001  291.6306 125.3918 260.6395 93.59962 30.99109       156.4736 
1 1 1 -10 22 9  o 351.0695 83.27687 4.315959       1.451941  5.715283       4.009721  4.104791       1.557647  344.5929 142.0862 357.5461 86.90028 -12.95316      166.5537 
1 1 1 -10 22 10 o 324.4553 72.33582 4.079299       1.522498  5.514751       1.946191  1.815246       2.444187  399.7099 97.12828 249.2006 107.2193 150.5092       144.6716 
1 1 1 -10 22 11 f 222.8356 69.53651 1.201094       1.338811  0.7403942      3.196785  1.299084       1.474333  231.6902 108.5407 213.9810 86.94954 17.70927       139.0730 
1 1 1 -10 22 12 o 205.4861 62.54580 0.6536689      1.169758  2.303847       1.920261  -0.3199958     1.475025  248.0413 99.77778 162.9309 75.44736 85.11035       125.0916 
1 1 1 -10 22 13 o 249.3266 70.14372 2.316863       1.286680  3.126812       2.126940  1.849376       1.615887  269.2555 106.0878 229.3978 91.79299 39.85767       140.2874 
1 1 1 -10 22 14 o 204.1973 64.09373 1.021980       1.346482  0.3175503      2.084871  1.526046       1.763618  192.4743 89.32893 215.9202 91.93675 -23.44589      128.1875 
1 1 1 -10 22 15 o 210.3380 70.38978 1.134906       2.015320  1.878618       2.693991  0.1898090      3.036909  220.6081 102.0876 200.0679 96.93811 20.54025       140.7796 
1 1 1 -10 23 1  o 166.2115 51.52487 0.4072254      0.5937666 -6.080106      3.073120  0.6587970      0.6051699 170.1371 85.11213 162.2858 58.09624 7.851227       103.0497 
1 1 1 -10 23 2  o 226.4182 58.09633 1.530350       0.7474090 -1.888221      2.915471  1.770824       0.7732499 205.3653 98.34385 247.4711 61.88071 -42.10585      116.1927 
1 1 1 -10 23 3  o 262.0966 70.65832 1.823187       0.8545783 1.597947       3.664552  1.836141       0.8788083 274.6350 123.9924 249.5581 67.79584 25.07693       141.3166 
1 1 1 -10 23 4  o 595.1494 42.89973 8.590723       1.143771  13.42268       2.332520  7.061063       1.312385  682.8637 68.38885 507.4351 51.81227 175.4286       85.79945 
1 1 1 -10 23 5  o 442.8283 63.07399 6.320041       1.361845  7.677569       1.889868  4.853687       1.964158  507.2346 75.92831 378.4220 100.7383 128.8126       126.1480 
1 1 1 -10 23 6  o 215.2169 71.77493 -0.2422858     1.115703  2.481485       3.706576  -0.5136606     1.169964  283.0625 126.4922 147.3713 67.86963 135.6911       143.5499 
1 1 1 -10 23 7  o 456.8537 59.48421 6.671120       1.300099  5.969849       1.992296  7.191232       1.715772  422.1519 95.45697 491.5555 71.00320 -69.40366      118.9684 
1 1 1 -10 23 8  o 367.7437 66.08031 6.121181       1.697706  8.062814       1.911856  -1.118495      3.691743  511.7019 76.11790 223.7854 108.0393 287.9164       132.1606 
1 1 1 -10 23 9  o 255.8640 77.18918 2.271694       1.634420  2.127802       1.889451  2.699405       3.257561  247.4163 99.16864 264.3117 118.3142 -16.89540      154.3784 
1 1 1 -10 23 10 o 236.6113 72.49453 1.852863       1.529410  1.663658       1.850776  2.260281       2.715860  226.7858 95.25027 246.4367 109.3125 -19.65088      144.9891 
1 1 1 -10 23 11 o 270.2917 66.55241 3.254366       1.407500  -1.177522      3.430578  4.151382       1.543381  202.1313 99.04755 338.4520 88.91837 -136.3206      133.1048 
1 1 1 -10 23 12 o 217.7295 71.26040 0.7415639      1.374333  4.034579       3.361505  0.8064961E-01  1.505946  265.4796 119.4084 169.9793 77.80624 95.50032       142.5208 
1 1 1 -10 23 13 f 203.8582 60.91350 -0.1913607     1.316540  -3.395282      1.793993  3.547886       1.938081  128.8049 64.52283 278.9114 103.3374 -150.1065      121.8270 
1 1 1 -10 23 14 o 237.3093 70.92223 2.488415       1.599077  0.5056511      2.293031  4.365545       2.231112  190.4367 90.04852 284.1819 109.5952 -93.74524      141.8445 
1 1 1 -10 24 1  o 175.2653 58.70659 0.1475977      0.5426806 0.1487575      2.906916  0.1475558      0.5523918 226.4890 105.2387 124.0415 52.06418 102.4474       117.4132 
1 1 1 -10 24 2  o 168.1273 59.06000 -0.3608827     0.5270598 0.8899137      2.931890  -0.4026540     0.5357883 239.3622 109.1816 96.89245 45.07442 142.4698       118.1200 
1 1 1 -10 24 3  o 220.6228 59.59359 1.288734       1.113409  -2.110844      2.303472  2.325153       1.271856  174.0613 84.35931 267.1843 84.19673 -93.12296      119.1872 
1 1 1 -10 24 4  o 211.5824 57.32026 1.304669       0.8614956 -0.4566142     2.088657  1.665737       0.9456863 190.6960 88.80633 232.4688 72.49748 -41.77281      114.6405 
1 1 1 -10 24 5  o 395.4603 91.87144 5.177661       1.628398  4.158820       1.756560  11.40518       4.342771  342.0530 96.97921 448.8675 156.0656 -106.8144      183.7429 
1 1 1 -10 24 6  o 415.1724 65.46127 6.078355       1.339605  5.119007       2.046456  6.797651       1.772018  367.2644 104.8678 463.0804 78.38016 -95.81598      130.9225 
1 1 1 -10 24 7  o 253.6765 63.90155 2.215013       1.071735  3.119136       1.559764  1.406376       1.475102  291.4113 93.39165 215.9416 87.24467 75.46962       127.8031 
1 1 1 -10 24 8  o 186.5869 57.73327 0.6506732      1.017437  0.4995253      1.689952  0.7366070      1.274252  189.2556 84.93146 183.9182 78.22512 5.337357       115.4665 
1 1 1 -10 24 9  o 203.9826 62.87439 1.137019       1.213096  0.9463254      1.938561  1.259755       1.555237  202.7290 90.97205 205.2362 86.81499 -2.507172      125.7488 
1 1 1 -10 24 10 o 231.2804 99.62238 2.159959       2.114972  2.159959       2.114972  0.000000       0.000000  231.2804 99.62238 ?        ?        ?              ?        
1 1 1 -10 24 11 o 244.4978 63.95094 2.448519       1.282463  -0.6868883E-01 2.200790  3.742795       1.578093  184.0193 87.36650 304.9764 93.41298 -120.9571      127.9019 
1 1 1 -10 24 12 o 282.0056 79.41622 4.006268       1.773799  1.871834       2.291610  7.196450       2.801608  217.4254 98.11778 346.5858 124.9025 -129.1605      158.8324 
1 1 1 -10 24 13 o 178.9467 85.34344 0.1972088      2.148423  0.1972088      2.148423  0.000000       0.000000  178.9467 85.34344 ?        ?        ?              ?        
1 1 1 -10 25 1  o 228.1089 62.85989 1.793159       1.056652  -1.377217      3.207625  2.179076       1.119116  201.2408 97.99241 254.9771 78.75883 -53.73630      125.7198 
1 1 1 -10 25 2  o 206.5149 66.23934 0.3909045      0.6723552 3.638208       3.034451  0.2232470      0.6894935 276.4999 119.2138 136.5299 57.78122 139.9701       132.4787 
1 1 1 -10 25 3  o 223.6179 57.62439 1.727004       0.8350563 -0.1208199     2.378287  1.986843       0.8918381 197.0587 92.73021 250.1770 68.43529 -53.11835      115.2488 
1 1 1 -10 25 4  o 262.2402 59.45634 2.521445       0.8914193 1.954675       1.806422  2.703891       1.024901  234.0824 95.80809 290.3980 70.43464 -56.31560      118.9127 
1 1 1 -10 25 5  o 256.5359 71.63266 2.903019       1.565441  3.621244       1.726196  -0.4232464     3.714823  300.0215 98.41249 213.0503 104.1150 86.97118       143.2653 
1 1 1 -10 25 6  o 207.3430 61.44575 1.265385       1.070644  1.960732       1.686051  0.7955554      1.385927  228.7323 92.96791 185.9538 80.36969 42.77858       122.8915 
1 1 1 -10 25 7  o 234.1536 65.68789 2.173600       1.153104  2.311165       1.762610  2.070675       1.524626  237.1824 95.52924 231.1247 90.18736 6.057678       131.3758 
1 1 1 -10 25 8  o 275.9524 67.14288 3.307862       1.231818  2.074165       1.821544  4.347478       1.672138  225.6739 94.62420 326.2308 95.28342 -100.5568      134.2858 
1 1 1 -10 25 9  o 249.3452 70.82230 2.891678       1.341145  3.246444       2.210007  2.684867       1.687366  251.9821 104.8244 246.7083 95.26295 5.273819       141.6446 
1 1 1 -10 25 10 o 210.2304 59.57651 1.519886       1.284593  -4.533240      2.982892  2.898124       1.423344  155.9040 78.73993 264.5568 89.42855 -108.6528      119.1530 
1 1 1 -10 25 11 o 190.6001 60.33851 1.130717       1.183361  0.6865608      2.140362  1.326256       1.420155  186.9942 87.98672 194.2061 82.59105 -7.211899      120.6770 
1 1 1 -10 25 12 o 208.2283 65.94226 1.698444       1.490415  3.881285       2.221155  -0.8934560E-01 2.010139  249.4095 104.5284 167.0471 80.41977 82.36244       131.8845 
1 1 1 -10 26 1  o 281.9840 56.29411 3.631699       0.9216131 0.1368677E-03  3.389287  3.921656       0.9576992 201.9482 98.84956 362.0198 53.89685 -160.0716      112.5882 
1 1 1 -10 26 2  o 281.1427 64.33252 2.647685       0.8404493 4.485878       2.160922  2.320069       0.9122756 297.9098 109.3359 264.3755 67.82582 33.53427       128.6650 
1 1 1 -10 26 3  o 235.6529 64.61051 1.485478       1.126781  4.635179       2.012848  0.4799191E-01  1.359810  311.5877 106.3424 159.7181 73.41236 151.8696       129.2210 
1 1 1 -10 26 4  f 199.6251 70.30737 -0.1538919     0.9493794 7.138587       4.325340  -0.5230037     0.9731094 273.6677 127.5632 125.5824 59.16201 148.0853       140.6147 
1 1 1 -10 26 5  o 236.1150 69.64960 2.791401       1.527525  3.236344       1.634102  -0.2897014     4.300116  269.4114 95.56994 202.8186 101.3442 66.59280       139.2992 
1 1 1 -10 26 6  o 209.2113 61.04381 1.572514       1.063562  2.522694       1.604418  0.8276669      1.420522  238.3629 92.65400 180.0596 79.50234 58.30331       122.0876 
1 1 1 -10 26 7  o 175.4711 56.47650 0.5926484      1.090209  0.6273296      1.699808  0.5684122      1.420968  179.2244 82.26741 171.7178 77.39803 7.506668       112.9530 
1 1 1 -10 26 8  o 350.8737 73.68391 5.772828       1.436479  7.496392       2.167087  4.421971       1.918525  406.0762 104.7288 295.6712 103.6782 110.4050       147.3678 
1 1 1 -10 26 9  o 345.4736 67.71282 5.906165       1.391932  3.950155       2.213251  7.186040       1.790313  257.2883 105.7633 433.6588 84.58273 -176.3705      135.4256 
1 1 1 -10 26 10 o 236.1017 69.78084 2.758654       1.404724  5.207949       2.273717  1.246684       1.786437  284.9445 110.4276 187.2589 85.34177 97.68562       139.5617 
1 1 1 -10 26 11 o 204.8426 65.01215 2.025347       1.310682  3.841352       2.299026  1.150903       1.595333  231.6078 101.7437 178.0774 80.96008 53.53038       130.0243 
1 1 1 -10 27 1  o 194.8974 61.45472 0.9993059      0.6759802 3.568089       3.328781  0.8888181      0.6903647 222.9381 106.2983 166.8566 61.70414 56.08151       122.9094 
1 1 1 -10 27 2  o 263.4810 60.78309 3.040196       0.9101780 3.082134       2.244214  3.031940       0.9957469 230.4584 100.8982 296.5037 67.80775 -66.04529      121.5662 
1 1 1 -10 27 3  o 148.8537 47.09645 0.2996034      0.7301161 -1.143000      1.601909  0.6778582      0.8202694 140.7911 68.70863 156.9162 64.43156 -16.12506      94.19289 
1 1 1 -10 27 4  o 271.6939 65.31140 3.472278       1.088662  3.319221       1.802246  3.560212       1.366052  251.0234 98.02674 292.3643 86.33119 -41.34096      130.6228 
1 1 1 -10 27 5  o 190.6994 54.22161 0.6875532      0.8710699 2.966841       1.445253  -0.6127828     1.091622  254.4749 89.92014 126.9240 60.61603 127.5510       108.4432 
1 1 1 -10 27 6  o 220.7989 61.86662 2.172799       1.133948  0.8280993      1.654366  3.364361       1.557319  176.9595 81.20288 264.6383 93.35955 -87.67883      123.7332 
1 1 1 -10 27 7  o 209.2534 65.17191 2.172030       1.318405  2.738152       2.085881  1.795398       1.701346  218.8619 96.50179 199.6448 87.61803 19.21710       130.3438 
1 1 1 -10 27 8  o 192.7740 60.69588 1.593121       1.319621  -0.2304931     2.247534  2.552527       1.630200  164.7256 80.60144 220.8224 90.77095 -56.09676      121.3918 
1 1 1 -10 27 9  o 146.4896 50.34873 -0.4728198     1.186035  -1.120277      1.904702  -0.6278969E-01 1.515756  144.0018 71.18194 148.9774 71.22577 -4.975571      100.6975 
1 1 1 -10 28 1  o 159.6751 70.65302 0.2818967      1.080063  -4.342611      3.752833  0.6995295      1.127778  ?        ?        159.6751 70.65302 ?              ?        
1 1 1 -10 28 2  o 230.7056 59.64430 2.122629       0.7484003 3.605728       2.081299  1.902387       0.8020468 232.8159 99.52041 228.5954 65.76823 4.220520       119.2886 
1 1 1 -10 28 3  o 158.5210 48.10551 0.6803751      0.7659727 -0.7699911     1.466854  1.224132       0.8981531 136.6682 66.48592 180.3737 69.54269 -43.70546      96.21103 
1 1 1 -10 28 4  o 143.7324 47.67828 0.5871876E-01  0.7034216 0.8124352      1.556031  -0.1348727     0.7886009 168.2375 77.75893 119.2273 55.19441 49.01028       95.35657 
1 1 1 -10 28 5  o 138.8403 62.97195 0.4692023E-01  0.9369013 -4.353621      4.500804  0.2462409      0.9578847 ?        ?        138.8403 62.97195 ?              ?        
1 1 1 -10 28 6  o 160.2082 52.89932 0.2494377      1.093724  -1.160374      1.497377  1.861878       1.601373  129.7610 63.94906 190.6554 84.28447 -60.89438      105.7986 
1 1 1 -10 28 7  o 175.4935 58.66010 1.188782       1.310705  2.856908       2.145690  0.1958101      1.655469  199.0751 91.76578 151.9119 73.09633 47.16318       117.3202 
1 1 1 -10 29 1  o 114.1249 50.68066 0.1001796      0.5770565 -1.549094      3.428457  0.1482650      0.5854083 ?        ?        114.1249 50.68066 ?              ?        
1 1 1 -10 29 2  o 141.0965 44.11028 0.5108322      0.6576874 -1.402590      1.633006  0.8812881      0.7185394 126.8395 63.23328 155.3535 61.51764 -28.51402      88.22057 
1 1 1 -10 29 3  o 165.2400 51.67112 1.188104       0.8517010 0.9796533      1.492600  1.288745       1.037120  159.8233 74.64407 170.6567 71.46944 -10.83336      103.3422 
1 1 1 -10 29 4  o 152.4415 72.57849 0.2740072      1.432378  0.6665019      1.539935  -2.244924      3.901159  152.4415 72.57849 ?        ?        ?              ?        
1 1 1 -10 29 5  o 129.9661 61.28776 0.1028549      1.049060  0.000000       0.000000  0.1028549      1.049060  ?        ?        129.9661 61.28776 ?              ?        
1 1 1 -9  0  1  o 1985.294 42.01740 100.1471       5.960342  100.1471       5.960342  100.1471       5.960342  1985.294 59.42158 1985.294 59.42158 0.000000       0.000000 
1 1 1 -9  0  2  o 1901.930 41.07097 91.92110       5.580979  91.92110       5.580979  91.92110       5.580979  1901.930 58.08313 1901.930 58.08313 -0.000000      0.000000 
1 1 1 -9  0  3  o 1519.140 53.30360 58.96111       5.765099  58.96111       5.765099  58.96111       5.765099  1519.140 75.38268 1519.140 75.38268 -0.000000      0.000000 
1 1 1 -9  0  4  o 604.3212 50.59526 9.645720       2.108391  9.645720       2.108391  9.645720       2.108391  604.3212 71.55250 604.3212 71.55250 -0.000000      0.000000 
1 1 1 -9  0  5  o 1138.562 48.25752 33.25195       3.901505  33.25195       3.901505  33.25195       3.901505  1138.562 68.24644 1138.562 68.24644 -0.000000      0.000000 
1 1 1 -9  0  6  o 3631.960 62.39259 336.5026       16.20292  336.5026       16.20292  336.5026       16.20292  3631.960 88.23645 3631.960 88.23645 -0.000000      0.000000 
1 1 1 -9  0  7  o 534.1088 37.48597 7.449938       1.401096  7.449938       1.401096  7.449938       1.401096  534.1088 53.01317 534.1088 53.01317 -0.000000      0.000000 
1 1 1 -9  0  8  o 149.6724 57.72575 0.7991753      0.8783883 0.7991753      0.8783883 0.7991753      0.8783883 149.6724 81.63654 149.6724 81.63654 0.000000       0.000000 
1 1 1 -9  0  9  o 570.8971 38.97672 8.496422       1.559062  8.496422       1.559062  8.496422       1.559062  570.8971 55.12141 570.8971 55.12141 0.000000       0.000000 
1 1 1 -9  0  10 f 2218.911 44.41905 125.3288       7.044006  125.3288       7.044006  125.3288       7.044006  2218.911 62.81803 2218.911 62.81803 -0.000000      0.000000 
1 1 1 -9  0  11 o 3154.640 80.50883 256.4071       18.13037  256.4071       18.13037  256.4071       18.13037  3154.640 113.8567 3154.640 113.8567 0.000000       0.000000 
1 1 1 -9  0  12 o 275.6398 91.05559 2.870079       2.004727  2.870079       2.004727  2.870079       2.004727  275.6398 128.7720 275.6398 128.7720 0.000000       0.000000 
1 1 1 -9  0  13 o 2789.556 42.49118 198.5586       8.477688  198.5586       8.477688  198.5586       8.477688  2789.556 60.09160 2789.556 60.09160 0.000000       0.000000 
1 1 1 -9  0  14 o 998.1795 33.13576 25.51630       2.356231  25.51630       2.356231  25.51630       2.356231  998.1795 46.86104 998.1795 46.86104 -0.000000      0.000000 
1 1 1 -9  0  15 o 234.1425 81.53252 2.127815       1.633089  2.127815       1.633089  2.127815       1.633089  234.1425 115.3044 234.1425 115.3044 0.000000       0.000000 
1 1 1 -9  0  16 o 496.5950 56.68934 6.871415       1.858036  6.871415       1.858036  6.871415       1.858036  496.5950 80.17083 496.5950 80.17083 0.000000       0.000000 
1 1 1 -9  0  17 o 1632.005 43.42495 69.30068       5.057797  69.30068       5.057797  69.30068       5.057797  1632.005 61.41215 1632.005 61.41215 0.000000       0.000000 
1 1 1 -9  0  18 o 441.8469 101.3922 6.926004       2.836848  6.926004       2.836848  6.926004       2.836848  441.8469 143.3902 441.8469 143.3902 -0.000000      0.000000 
1 1 1 -9  0  19 o 166.1337 74.93695 0.5351260      1.976282  0.5351260      1.976282  0.5351260      1.976282  166.1337 105.9769 166.1337 105.9769 0.000000       0.000000 
1 1 1 -9  0  20 o 413.4619 80.51452 5.802544       2.061133  5.802544       2.061133  5.802544       2.061133  413.4619 113.8647 413.4619 113.8647 0.000000       0.000000 
1 1 1 -9  0  21 o 204.3456 89.21700 1.998857       2.564948  1.998857       2.564948  1.998857       2.564948  204.3456 126.1719 204.3456 126.1719 -0.000000      0.000000 
1 1 1 -9  0  22 o 177.8963 88.02853 -0.3905728     4.179775  -0.3905728     4.179775  -0.3905728     4.179775  177.8963 124.4911 177.8963 124.4911 0.000000       0.000000 
1 1 1 -9  1  1  o 1767.342 48.02256 78.53280       4.069436  76.98225       4.984300  81.63286       7.047680  1742.190 56.50996 1792.493 77.66136 -50.30322      96.04511 
1 1 1 -9  1  2  o 3345.032 72.06242 287.1202       11.46139  291.1870       14.04093  278.9992       19.84139  3384.579 81.94216 3305.485 118.5641 79.09375       144.1248 
1 1 1 -9  1  3  o 1180.147 49.43139 35.48891       2.939669  36.35287       4.181626  34.64474       4.133432  1194.446 69.45026 1165.848 70.35986 28.59827       98.86277 
1 1 1 -9  1  4  o 737.2659 43.34949 14.42571       1.466352  12.51403       2.564128  15.35472       1.787487  697.7053 73.70699 776.8264 45.65078 -79.12103      86.69899 
1 1 1 -9  1  5  o 2052.756 59.61993 107.5837       6.182266  98.85760       8.703921  116.4686       8.782701  1968.098 87.35437 2137.414 81.16256 -169.3165      119.2399 
1 1 1 -9  1  6  o 1009.692 41.08607 25.66728       1.976804  25.03670       2.412991  26.95418       3.447159  992.8788 48.00382 1026.506 66.69254 -33.62732      82.17214 
1 1 1 -9  1  7  o 2345.538 45.80078 140.2671       5.435038  134.1790       7.679654  146.3764       7.692971  2294.193 66.11928 2396.882 63.39627 -102.6895      91.60156 
1 1 1 -9  1  8  o 2089.824 42.97746 111.1262       4.547076  111.4055       6.442435  110.8489       6.418703  2092.435 60.81553 2087.214 60.74306 5.220703       85.95492 
1 1 1 -9  1  9  o 1427.950 36.86731 51.81755       2.663619  49.87199       3.774504  53.74757       3.759393  1401.135 53.21036 1454.764 51.04362 -53.62891      73.73461 
1 1 1 -9  1  10 o 2775.700 51.09658 196.5036       7.173669  186.4527       10.13185  206.6074       10.15840  2704.014 74.01102 2847.386 70.46852 -143.3726      102.1932 
1 1 1 -9  1  11 o 2708.048 71.96347 189.1307       9.852771  200.8856       13.96264  177.4720       13.90538  2793.336 98.73268 2622.760 104.7226 170.5752       143.9269 
1 1 1 -9  1  12 o 901.1942 43.69760 20.85017       1.979697  20.22666       2.831442  21.44649       2.769031  887.6272 63.42541 914.7612 60.12601 -27.13403      87.39520 
1 1 1 -9  1  13 o 879.4752 34.15934 19.81735       1.503505  19.09262       2.257215  20.39533       2.015765  863.7674 51.85707 895.1829 44.47792 -31.41553      68.31868 
1 1 1 -9  1  14 o 914.7462 33.81921 21.38328       1.559923  22.35525       2.240139  20.46828       2.173498  935.0325 47.47797 894.4600 48.17466 40.57257       67.63841 
1 1 1 -9  1  15 o 822.9027 36.54946 17.41292       1.514822  17.58052       2.160227  17.25077       2.124776  826.7664 51.87268 819.0391 51.50414 7.727356       73.09892 
1 1 1 -9  1  16 o 601.9202 43.74133 9.506436       1.309188  8.935975       1.885808  10.03716       1.818944  583.2753 64.96544 620.5649 58.58931 -37.28961      87.48266 
1 1 1 -9  1  17 o 1089.276 44.90056 31.05151       2.464315  29.98391       3.427210  32.19437       3.545958  1069.812 63.56324 1108.741 63.43467 -38.92957      89.80112 
1 1 1 -9  1  18 o 730.1493 67.37080 14.87182       2.415489  13.28250       3.415059  16.46293       3.416978  686.3570 101.3270 773.9417 88.81522 -87.58466      134.7416 
1 1 1 -9  1  19 o 561.7003 50.91285 8.474692       1.394734  6.872944       1.876707  10.45082       2.084524  499.8645 76.60000 623.5361 67.08883 -123.6716      101.8257 
1 1 1 -9  1  20 o 306.2650 74.49686 2.746111       1.416351  3.187137       1.855246  2.129962       2.192867  326.3883 101.5031 286.1417 109.0699 40.24664       148.9937 
1 1 1 -9  1  21 o 363.6157 71.99426 4.265018       1.501499  5.905292       2.019085  2.235613       2.245850  442.7117 93.04012 284.5196 109.8919 158.1922       143.9885 
1 1 1 -9  1  22 o 303.2756 89.96490 2.548889       2.335748  3.022003       2.993009  1.811913       3.735528  312.1852 124.9249 294.3659 129.4932 17.81937       179.9298 
1 1 1 -9  2  1  o 1786.394 47.39948 79.92609       4.068359  77.67661       4.984684  84.41431       7.041005  1749.993 56.26232 1822.794 76.29805 -72.80042      94.79895 
1 1 1 -9  2  2  o 1059.387 41.68542 28.43762       2.109190  28.24291       2.590834  28.82027       3.631972  1055.476 48.48503 1063.298 67.82255 -7.822144      83.37083 
1 1 1 -9  2  3  o 2166.274 43.85226 119.1158       4.809371  118.7961       6.798965  119.4359       6.803991  2163.360 62.07696 2169.189 61.95589 -5.829834      87.70451 
1 1 1 -9  2  4  f 4716.908 109.8011 569.1727       26.22092  0.000000       0.000000  569.1727       26.22092  ?        ?        4716.908 109.8011 ?              ?        
1 1 1 -9  2  5  o 2123.320 53.45552 116.1740       5.393445  111.0439       9.306708  118.7682       6.618077  2085.123 88.16187 2161.518 60.47688 -76.39478      106.9110 
1 1 1 -9  2  6  o 2436.646 59.37341 155.4830       6.814524  162.4377       8.351194  141.6247       11.78860  2525.145 65.32488 2348.147 99.16384 176.9980       118.7468 
1 1 1 -9  2  7  o 2051.323 42.16043 107.1380       4.378044  108.9847       6.197238  105.2980       6.185756  2069.061 59.16178 2033.584 60.08237 35.47705       84.32086 
1 1 1 -9  2  8  o 898.2900 34.51049 20.53677       1.562938  21.18020       2.249104  19.93587       2.173491  911.9171 48.89404 884.6630 48.71619 27.25409       69.02097 
1 1 1 -9  2  9  o 464.5751 39.18634 5.561677       0.9034766 5.545354       1.277672  5.578003       1.277746  463.8716 55.50734 465.2787 55.32821 -1.407166      78.37267 
1 1 1 -9  2  10 o 910.8424 35.10869 21.12872       1.612324  21.33913       2.315086  20.93055       2.246789  915.1993 50.15625 906.4855 49.14093 8.713806       70.21738 
1 1 1 -9  2  11 o 1392.006 52.77547 49.69209       3.704630  50.48819       5.207206  48.87616       5.271666  1403.588 73.53512 1380.424 75.72045 23.16479       105.5509 
1 1 1 -9  2  12 o 1237.088 47.76452 39.43084       2.834048  38.54963       4.789393  39.90565       3.515608  1223.093 77.74966 1251.082 55.50484 -27.98914      95.52905 
1 1 1 -9  2  13 o 560.8502 41.42949 8.204641       1.135824  7.654657       1.748341  8.606278       1.494059  542.9992 64.88297 578.7012 51.53456 -35.70203      82.85898 
1 1 1 -9  2  14 o 232.6049 59.69938 1.098587       0.9304485 1.666422       1.330524  0.5551239      1.301657  259.6133 86.46074 205.5965 82.34441 54.01682       119.3988 
1 1 1 -9  2  15 o 286.6101 63.74409 2.139440       1.027945  2.057066       1.387762  2.239579       1.530109  280.5739 87.87564 292.6462 92.36400 -12.07227      127.4882 
1 1 1 -9  2  16 o 1192.973 33.88387 36.53640       2.044926  38.52116       2.919259  34.62418       2.865417  1225.074 47.06811 1160.872 48.75510 64.20215       67.76774 
1 1 1 -9  2  17 o 598.0540 59.88340 9.963696       1.694772  10.96381       2.208653  8.531619       2.642926  642.8001 68.94485 553.3078 97.93209 89.49231       119.7668 
1 1 1 -9  2  18 o 867.2867 64.89575 20.58968       2.793856  22.69380       4.195609  18.91334       3.744911  906.3386 92.74310 828.2348 90.79952 78.10376       129.7915 
1 1 1 -9  2  19 o 846.8320 44.76450 18.92883       1.857777  18.35810       2.365477  19.84751       3.001134  834.5591 56.31521 859.1050 69.59914 -24.54596      89.52901 
1 1 1 -9  2  20 o 883.8649 44.01514 21.12034       1.916247  21.51702       2.492901  20.54746       2.995862  899.8580 54.98400 867.8717 68.74656 31.98627       88.03027 
1 1 1 -9  2  21 o 277.8408 73.50642 1.936614       1.411935  0.9911831      1.838878  3.294607       2.203875  232.7267 96.11633 322.9550 111.2404 -90.22824      147.0128 
1 1 1 -9  2  22 o 238.9529 79.44831 -0.7021335     2.151733  -0.3616287     2.443936  -1.876130      4.537970  218.9676 99.80289 258.9383 123.6427 -39.97066      158.8966 
1 1 1 -9  3  1  o 441.6022 59.57133 5.129309       1.282194  4.990565       1.846076  5.258619       1.782202  435.3113 86.81039 447.8930 81.60226 -12.58163      119.1427 
1 1 1 -9  3  2  o 1953.451 49.92393 95.08083       4.680099  102.6894       8.159313  91.35015       5.713412  2009.590 80.19783 1897.313 59.48027 112.2767       99.84786 
1 1 1 -9  3  3  o 937.6565 41.07169 22.60019       1.835171  21.66273       3.120521  23.09585       2.269033  920.9656 67.39484 954.3473 46.96246 -33.38165      82.14339 
1 1 1 -9  3  4  o 2918.102 74.28868 216.7187       10.97506  0.000000       0.000000  216.7187       10.97506  ?        ?        2918.102 74.28868 ?              ?        
1 1 1 -9  3  5  o 306.3373 51.70906 2.188909       0.7569459 3.531789       1.369639  1.598381       0.9082556 365.4437 76.48417 247.2309 69.60949 118.2127       103.4181 
1 1 1 -9  3  6  o 802.9219 41.58658 16.67833       1.583704  17.07646       1.956716  15.92220       2.696580  818.5337 47.42117 787.3100 68.33015 31.22369       83.17316 
1 1 1 -9  3  7  o 594.4825 35.22992 9.031972       1.049760  9.370558       1.520740  8.723774       1.450893  605.1489 50.08766 583.8162 49.55619 21.33270       70.45985 
1 1 1 -9  3  8  o 3035.108 54.41200 235.0718       8.359169  240.9247       11.83681  229.2487       11.80655  3073.071 76.08137 2997.146 77.80932 75.92456       108.8240 
1 1 1 -9  3  9  o 1686.366 38.93203 72.27106       3.322785  69.92514       4.685255  74.64498       4.713125  1658.744 55.79179 1713.988 54.31472 -55.24438      77.86406 
1 1 1 -9  3  10 o 3115.917 51.40754 248.7118       7.936478  242.1845       12.49772  253.1228       10.27397  3078.978 80.17529 3152.857 64.36508 -73.87988      102.8151 
1 1 1 -9  3  11 o 770.0021 51.99297 15.26779       1.991759  13.37977       2.753991  17.33837       2.884055  719.0838 76.83786 820.9203 70.06438 -101.8365      103.9859 
1 1 1 -9  3  12 o 683.6077 68.56648 13.81430       1.890286  9.507988       3.620068  15.42862       2.216455  591.5627 124.7992 775.6526 56.83850 -184.0898      137.1330 
1 1 1 -9  3  13 o 659.0796 41.79375 11.04628       1.348759  11.87152       2.178530  10.53336       1.717506  677.8876 64.24478 640.2715 53.47411 37.61609       83.58751 
1 1 1 -9  3  14 o 405.5142 52.82381 4.351820       1.032892  4.496585       1.598074  4.247953       1.353630  410.2086 79.82259 400.8198 69.20821 9.388824       105.6476 
1 1 1 -9  3  15 o 392.6404 59.83413 4.164633       1.144308  4.288461       1.756284  4.073288       1.508437  396.6017 89.58447 388.6791 79.34178 7.922516       119.6683 
1 1 1 -9  3  16 o 676.1618 43.72285 11.94515       1.478571  11.81324       2.039832  12.09118       2.146254  672.6332 60.54974 679.6904 63.09105 -7.057251      87.44570 
1 1 1 -9  3  17 o 722.8892 51.07957 14.05934       1.802356  14.78889       2.364440  13.04745       2.784627  749.9465 62.85478 695.8318 80.53427 54.11469       102.1591 
1 1 1 -9  3  18 o 504.5936 85.82492 7.730446       2.190511  9.155890       3.013589  6.133631       3.189601  561.8188 109.8873 447.3683 131.8653 114.4505       171.6498 
1 1 1 -9  3  19 o 406.0402 69.03893 5.514093       1.523989  7.376388       1.871683  1.850650       2.625142  519.2638 73.23003 292.8167 117.0592 226.4471       138.0779 
1 1 1 -9  3  20 o 370.2045 76.82364 4.225133       1.524312  3.955039       2.026699  4.576915       2.312960  358.8089 104.9291 381.6002 112.2380 -22.79129      153.6473 
1 1 1 -9  3  21 o 262.0734 76.12837 1.557209       1.582335  1.975281       1.871380  0.5086438      2.963699  268.1548 101.1065 255.9920 113.8402 12.16286       152.2567 
1 1 1 -9  3  22 o 391.7645 95.02789 6.118277       2.412905  6.933696       2.761119  3.483242       4.963499  449.7053 119.3094 333.8238 147.9408 115.8815       190.0558 
1 1 1 -9  4  1  o 1166.199 43.06280 34.73657       2.391126  34.13908       4.113327  35.04152       2.938654  1156.949 70.56292 1175.449 49.38111 -18.50061      86.12560 
1 1 1 -9  4  2  o 1310.742 50.35844 43.73600       3.326396  41.49426       4.611969  46.16656       4.802269  1275.620 71.70454 1345.864 70.72729 -70.24451      100.7169 
1 1 1 -9  4  3  f 2076.866 86.87502 109.9544       9.134548  0.000000       0.000000  109.9544       9.134548  ?        ?        2076.866 86.87502 ?              ?        
1 1 1 -9  4  4  o 757.5884 48.89369 14.62827       1.865286  0.000000       0.000000  14.62827       1.865286  ?        ?        757.5884 48.89369 ?              ?        
1 1 1 -9  4  5  o 571.6930 40.68409 7.756959       1.099759  10.45275       1.985321  6.563530       1.320947  637.8485 62.27376 505.5375 52.37138 132.3110       81.36819 
1 1 1 -9  4  6  o 2114.550 52.77508 114.1122       5.321205  113.8836       6.510555  114.5723       9.235249  2114.606 60.81417 2114.493 86.26977 0.1132813      105.5502 
1 1 1 -9  4  7  o 1064.799 33.96325 28.80573       1.830754  28.64341       2.599911  28.96537       2.578377  1061.796 48.36528 1067.801 47.69496 -6.004517      67.92650 
1 1 1 -9  4  8  o 1013.745 33.94861 26.09450       1.742235  26.02681       2.476136  26.16086       2.451829  1012.424 48.30902 1015.067 47.71028 -2.642517      67.89722 
1 1 1 -9  4  9  o 1149.730 35.63003 33.66261       2.068068  31.22773       2.954647  36.00118       2.895625  1108.688 52.63961 1190.772 48.03194 -82.08386      71.26006 
1 1 1 -9  4  10 o 447.9571 51.74559 5.022592       1.107456  3.727581       1.420706  7.028125       1.768001  375.2814 77.34805 520.6327 68.75829 -145.3513      103.4912 
1 1 1 -9  4  11 f 1548.219 54.52803 61.45826       4.264851  59.13312       5.979769  63.86550       6.084413  1517.203 78.11478 1579.235 76.10062 -62.03162      109.0561 
1 1 1 -9  4  12 o 973.8561 59.06364 25.91013       2.381609  22.18375       4.822102  27.11238       2.738987  917.7255 105.7190 1029.987 52.70255 -112.2612      118.1273 
1 1 1 -9  4  13 o 1057.050 35.08967 28.25614       1.831071  29.78031       2.952944  27.30398       2.333955  1078.589 54.25051 1035.511 44.51990 43.07813       70.17934 
1 1 1 -9  4  14 o 1228.131 32.51668 38.21824       2.014809  42.36675       2.994147  34.78518       2.723749  1288.639 45.89422 1167.622 46.07666 121.0170       65.03336 
1 1 1 -9  4  15 o 1319.465 33.53159 44.58257       2.237791  44.44846       3.233324  44.70586       3.100294  1317.220 48.48499 1321.710 46.33223 -4.489990      67.06318 
1 1 1 -9  4  16 o 623.6424 45.12092 10.10032       1.396345  9.013250       1.864235  11.48964       2.107532  585.4414 63.93703 661.8434 63.68394 -76.40198      90.24184 
1 1 1 -9  4  17 f 323.2162 100.9485 2.897875       1.832814  2.897875       1.832814  0.000000       0.000000  323.2162 100.9485 ?        ?        ?              ?        
1 1 1 -9  4  18 o 855.5696 66.23156 20.35802       2.821891  20.37246       3.983683  20.34348       3.997869  856.0617 93.43431 855.0776 93.89626 0.9841309      132.4631 
1 1 1 -9  4  19 o 234.6548 68.09849 0.6039835      1.316112  -0.2284031     1.743088  1.707807       2.007273  198.5636 87.84992 270.7461 104.0769 -72.18253      136.1970 
1 1 1 -9  4  20 o 215.3702 60.07427 0.8455107E-01  1.242887  2.187187       1.543110  -3.798769      2.097087  276.5530 93.11683 154.1873 75.92712 122.3657       120.1485 
1 1 1 -9  4  21 o 249.0739 71.15450 1.203460       1.463867  2.360543       2.011153  -0.1002956     2.134818  284.2967 105.2804 213.8510 95.74907 70.44576       142.3090 
1 1 1 -9  4  22 o 283.1620 84.33080 2.072906       1.895673  2.323182       2.137000  1.148743       4.106472  280.2748 107.4711 286.0491 129.9873 -5.774261      168.6616 
1 1 1 -9  5  1  o 1437.015 45.14008 53.88422       3.075081  48.48629       5.211840  56.76688       3.808669  1378.309 74.97168 1495.720 50.29668 -117.4106      90.28017 
1 1 1 -9  5  2  o 932.2766 42.47127 22.88014       1.878065  19.77182       3.116854  24.65198       2.353230  878.8013 70.65260 985.7518 47.15342 -106.9504      84.94254 
1 1 1 -9  5  3  o 1996.536 51.76841 103.6006       4.901012  95.36155       8.402835  107.8485       6.033592  1932.875 85.86941 2060.197 57.84735 -127.3221      103.5368 
1 1 1 -9  5  4  o 593.1243 45.67928 8.500261       1.201176  7.893403       1.388601  10.30415       2.394081  555.2502 49.93145 630.9984 76.50645 -75.74811      91.35857 
1 1 1 -9  5  5  o 363.4984 69.04762 3.491983       1.273126  3.462250       1.618783  3.540197       2.061319  360.5029 89.18485 366.4939 105.4341 -5.990997      138.0952 
1 1 1 -9  5  6  o 992.0850 49.73256 25.24110       2.481280  25.89993       3.533556  24.60023       3.485067  1004.996 69.88336 979.1743 70.77869 25.82141       99.46511 
1 1 1 -9  5  7  o 2493.996 59.38536 161.3070       7.007797  152.6967       12.15321  165.5959       8.577353  2438.624 98.43794 2549.368 66.45644 -110.7449      118.7707 
1 1 1 -9  5  8  o 1118.552 34.33209 31.76729       1.944102  32.01543       2.766118  31.52507       2.732932  1122.861 48.65878 1114.244 48.44680 8.617065       68.66418 
1 1 1 -9  5  9  o 579.7792 36.28039 8.627907       1.042501  8.445232       1.583793  8.767561       1.384801  573.7961 55.20138 585.7624 47.09431 -11.96631      72.56078 
1 1 1 -9  5  10 o 2083.894 51.18072 112.2280       4.650531  108.1997       9.274717  113.5810       5.375070  2053.959 89.19187 2113.829 50.22622 -59.87061      102.3614 
1 1 1 -9  5  11 o 867.7609 49.18830 19.34089       2.139453  17.94161       2.958452  20.87492       3.097632  834.4924 70.69020 901.0295 68.41675 -66.53711      98.37660 
1 1 1 -9  5  12 o 1088.147 51.74335 30.18757       2.850532  0.000000       0.000000  30.18757       2.850532  ?        ?        1088.147 51.74335 ?              ?        
1 1 1 -9  5  13 o 811.0887 35.71056 16.81959       1.424633  16.99166       2.278224  16.70909       1.825602  813.4878 55.65165 808.6898 44.76463 4.798035       71.42113 
1 1 1 -9  5  14 o 919.0765 33.60518 21.57627       1.553558  22.30776       2.303627  20.96604       2.104039  933.0475 48.93753 905.1055 46.06895 27.94196       67.21035 
1 1 1 -9  5  15 o 729.0085 37.26937 13.75437       1.362982  13.08584       1.960269  14.38006       1.896413  711.1338 54.87212 746.8832 50.44873 -35.74945      74.53874 
1 1 1 -9  5  16 o 887.6702 41.53132 20.83102       1.819584  22.65036       2.425514  18.48924       2.751826  935.7564 51.39541 839.5840 65.25269 96.17242       83.06264 
1 1 1 -9  5  17 o 407.9707 101.5352 4.762611       2.088817  4.762611       2.088817  0.000000       0.000000  407.9707 101.5352 ?        ?        ?              ?        
1 1 1 -9  5  18 o 923.4362 56.45425 23.39029       2.483667  23.96898       3.107874  22.36753       4.131679  950.0505 65.00555 896.8218 92.31796 53.22876       112.9085 
1 1 1 -9  5  19 f 518.0114 64.58749 8.140797       1.549463  9.769105       2.009013  5.750223       2.434252  600.6611 67.21706 435.3617 110.3089 165.2994       129.1750 
1 1 1 -9  5  20 o 843.3353 45.70060 19.25016       1.839226  18.95115       2.272168  19.81839       3.132321  843.2325 53.50133 843.4381 74.10659 -0.2055664     91.40120 
1 1 1 -9  5  21 o 420.3010 72.56590 5.658739       1.527623  6.052805       2.014226  5.125163       2.343807  446.6847 92.12765 393.9173 112.1416 52.76740       145.1318 
1 1 1 -9  5  22 o 316.9623 86.14091 3.477354       1.890267  4.010292       2.013416  -0.4837654     5.489136  348.0326 105.2863 285.8921 136.3665 62.14050       172.2818 
1 1 1 -9  6  1  o 2060.356 51.78071 107.4774       5.128340  110.3118       8.805770  106.0227       6.308591  2078.754 83.67208 2041.958 61.02419 36.79663       103.5614 
1 1 1 -9  6  2  o 1721.906 48.23081 76.92043       3.961062  71.08720       6.721697  80.02386       4.902802  1669.138 79.54321 1774.674 54.56851 -105.5364      96.46162 
1 1 1 -9  6  3  o 642.9923 33.53822 10.55215       1.083866  10.27545       1.519092  10.83909       1.546922  634.3356 47.65037 651.6490 47.20900 -17.31335      67.07643 
1 1 1 -9  6  4  o 1637.056 37.53314 68.15031       3.109867  66.11449       4.386828  70.20705       4.409289  1612.385 53.74009 1661.727 52.41135 -49.34192      75.06628 
1 1 1 -9  6  5  o 1364.805 45.36360 47.97215       2.914811  46.38995       5.105394  48.73729       3.550316  1345.114 75.27187 1384.495 50.65145 -39.38086      90.72720 
1 1 1 -9  6  6  o 1599.420 46.14581 64.80424       3.523351  63.99991       4.304279  66.43771       6.133883  1586.293 53.59611 1612.547 75.13454 -26.25305      92.29161 
1 1 1 -9  6  7  o 1356.955 44.50756 46.77303       2.879934  46.44372       3.527982  47.43076       4.985940  1352.000 51.54258 1361.911 72.57448 -9.911499      89.01512 
1 1 1 -9  6  8  o 1661.776 47.21592 70.30596       3.761024  70.27403       4.627324  70.36811       6.456003  1662.812 54.96715 1660.741 76.78531 2.070679       94.43183 
1 1 1 -9  6  9  o 488.0062 46.16294 6.069927       1.010613  6.414390       1.883504  5.930664       1.197605  495.4181 77.64648 480.5942 49.95089 14.82388       92.32588 
1 1 1 -9  6  10 o 1570.679 44.84290 63.64882       3.076073  61.66097       6.104408  64.32537       3.561275  1550.134 78.03388 1591.224 44.20696 -41.08960      89.68580 
1 1 1 -9  6  11 o 1292.021 52.29154 43.00647       3.397875  46.22325       4.797854  39.76958       4.812824  1341.551 70.89260 1242.492 76.88861 99.05884       104.5831 
1 1 1 -9  6  12 o 600.3754 64.55406 9.334637       1.931314  0.000000       0.000000  9.334637       1.931314  ?        ?        600.3754 64.55406 ?              ?        
1 1 1 -9  6  13 o 1487.276 35.23194 55.73731       2.596248  59.90979       4.182773  53.12230       3.311337  1530.902 53.96763 1443.650 45.30622 87.25146       70.46388 
1 1 1 -9  6  14 o 959.5275 35.43543 23.50308       1.704109  24.63174       2.585528  22.63620       2.265923  979.2613 52.34108 939.7936 47.78171 39.46765       70.87086 
1 1 1 -9  6  15 o 1059.172 34.65815 28.78493       1.855674  29.12720       2.706180  28.48116       2.549464  1064.746 50.20270 1053.599 47.79581 11.14697       69.31631 
1 1 1 -9  6  16 o 395.8270 67.31903 4.495860       1.340664  5.230047       1.782987  3.540769       2.033607  436.6477 83.70159 355.0063 105.4583 81.64142       134.6381 
1 1 1 -9  6  17 o 413.3130 92.77444 4.828749       1.893672  4.828749       1.893672  0.000000       0.000000  413.3130 92.77444 ?        ?        ?              ?        
1 1 1 -9  6  18 f 357.9455 76.69872 3.692067       1.602584  5.264933       2.251326  2.076370       2.281773  422.9101 105.4986 292.9810 111.3590 129.9291       153.3974 
1 1 1 -9  6  19 o 571.2249 62.92391 8.305518       1.637942  6.733639       1.930183  12.34975       3.096041  489.3138 80.73199 653.1360 96.54025 -163.8222      125.8478 
1 1 1 -9  6  20 o 278.5057 83.14091 1.136246       1.792569  3.359649       3.508904  0.3510633      2.085201  332.6324 134.4999 224.3790 97.77228 108.2534       166.2818 
1 1 1 -9  6  21 o 308.9915 85.99901 2.964294       1.994557  2.245198       3.118906  3.461875       2.594423  293.8410 123.5434 324.1419 119.6676 -30.30093      171.9980 
1 1 1 -9  6  22 o 193.0625 88.07918 -0.4067718     1.909201  -0.4067718     1.909201  0.000000       0.000000  193.0625 88.07918 ?        ?        ?              ?        
1 1 1 -9  7  1  o 2349.678 45.52110 140.6388       5.415028  139.8606       7.640112  141.4245       7.676025  2343.140 64.40475 2356.217 64.34836 -13.07715      91.04221 
1 1 1 -9  7  2  o 1864.124 40.25981 88.41245       3.799163  86.74592       5.357180  90.09860       5.388614  1846.390 57.30985 1881.859 56.55961 -35.46912      80.51962 
1 1 1 -9  7  3  o 1198.156 34.81419 36.47594       2.110634  34.81142       2.957320  38.20402       3.013240  1170.238 49.91610 1226.075 48.54373 -55.83728      69.62838 
1 1 1 -9  7  4  o 1793.932 40.21515 81.93469       3.652265  81.40729       5.176342  82.45753       5.153895  1788.128 57.17956 1799.736 56.56439 -11.60864      80.43030 
1 1 1 -9  7  5  o 2380.598 54.04272 142.0439       6.170951  153.8225       10.77007  136.2871       7.529454  2449.135 86.86047 2312.061 64.32512 137.0740       108.0854 
1 1 1 -9  7  6  o 881.4863 41.15865 19.54739       1.708856  19.00329       2.065873  20.72640       3.041039  863.6677 47.42853 899.3049 67.28054 -35.63721      82.31729 
1 1 1 -9  7  7  o 1203.947 35.26999 36.85330       2.147698  35.49714       3.064544  38.16229       3.010777  1182.048 51.20908 1225.846 48.51309 -43.79810      70.53999 
1 1 1 -9  7  8  o 808.3582 32.77885 16.41025       1.318182  18.04736       2.073251  15.29939       1.707820  841.5493 48.87234 775.1669 43.69560 66.38239       65.55769 
1 1 1 -9  7  9  o 1146.519 36.40353 33.35023       2.104616  29.39650       2.908494  37.69589       3.049246  1075.144 53.43403 1217.894 49.45375 -142.7504      72.80706 
1 1 1 -9  7  10 o 799.4340 49.98386 16.32460       2.012844  16.32460       2.012844  0.000000       0.000000  799.4340 49.98386 ?        ?        ?              ?        
1 1 1 -9  7  11 o 2387.615 67.03917 147.7160       8.099917  142.7075       11.45481  152.7248       11.45522  2346.180 96.43678 2429.049 93.15014 -82.86865      134.0783 
1 1 1 -9  7  12 o 1602.524 55.85423 65.62466       4.531524  0.000000       0.000000  65.62466       4.531524  ?        ?        1602.524 55.85423 ?              ?        
1 1 1 -9  7  13 o 515.5190 41.98182 6.955128       1.058973  6.535246       1.609277  7.275805       1.406374  500.2205 65.08735 530.8176 53.04273 -30.59711      83.96365 
1 1 1 -9  7  14 o 1927.200 39.89428 95.77982       3.815413  93.84251       5.986900  97.10477       4.951088  1907.699 61.98814 1946.701 50.23631 -39.00244      79.78857 
1 1 1 -9  7  15 o 1050.957 37.72298 28.62282       1.970625  29.15167       2.584301  27.88810       3.046050  1065.210 47.92080 1036.703 58.27254 28.50732       75.44595 
1 1 1 -9  7  16 o 348.3301 61.38824 3.180645       1.147131  1.557745       1.518602  5.337273       1.750595  255.3115 91.96341 441.3486 81.34370 -186.0371      122.7765 
1 1 1 -9  7  17 o 478.1194 70.10707 6.508685       1.520733  6.498219       1.812716  6.533550       2.794197  488.1124 75.81424 468.1264 117.9500 19.98599       140.2141 
1 1 1 -9  7  18 o 413.5469 81.29473 5.262766       1.744288  4.656729       2.915945  5.600463       2.176675  389.3693 127.9162 437.7246 100.3632 -48.35532      162.5895 
1 1 1 -9  7  19 o 318.0323 71.68774 1.524730       1.318611  -0.8582841E-02 1.516885  6.266802       2.667604  190.3261 83.14950 445.7385 116.8019 -255.4124      143.3755 
1 1 1 -9  7  20 o 262.3500 72.21473 0.7266073E-02  1.530376  -2.245188      1.877677  4.464247       2.641273  161.0365 77.57451 363.6636 121.8280 -202.6272      144.4295 
1 1 1 -9  7  21 o 270.3614 72.01991 1.905422       1.317478  1.232076       1.659128  3.054695       2.167566  232.3073 92.99327 308.4155 109.9987 -76.10825      144.0398 
1 1 1 -9  7  22 o 275.1742 91.45029 -0.1411458     1.813193  -0.9106785     1.907226  7.090528       5.846664  181.4616 84.62476 368.8867 162.1458 -187.4251      182.9006 
1 1 1 -9  8  1  o 2411.747 45.83568 148.3779       5.595152  144.4637       7.906755  152.3040       7.918740  2379.655 65.62974 2443.839 64.00293 -64.18384      91.67136 
1 1 1 -9  8  2  o 1940.133 40.49006 95.91152       3.974326  99.52378       5.602523  92.25241       5.638743  1977.185 55.96967 1903.081 58.52499 74.10376       80.98011 
1 1 1 -9  8  3  o 715.9860 34.41035 13.11327       1.235972  11.92166       1.742959  14.31857       1.752940  682.7859 50.78525 749.1860 46.44509 -66.40009      68.82069 
1 1 1 -9  8  4  o 2526.171 47.40454 162.8298       6.062700  162.9711       8.579474  162.6889       8.568441  2527.261 67.05434 2525.080 67.02596 2.180664       94.80909 
1 1 1 -9  8  5  o 3099.275 65.19975 245.4376       9.635911  249.4697       16.76518  243.4485       11.77518  3111.314 106.4341 3087.237 75.33798 24.07715       130.3995 
1 1 1 -9  8  6  o 1308.719 35.32146 43.52799       2.339041  41.92489       3.309640  45.12774       3.306168  1284.547 50.89174 1332.891 48.99441 -48.34497      70.64291 
1 1 1 -9  8  7  o 583.1229 35.08968 8.710437       1.001068  8.647085       1.595680  8.751554       1.285516  580.6660 54.93218 585.5798 43.67604 -4.913818      70.17935 
1 1 1 -9  8  8  o 1311.495 34.08529 43.61242       2.218396  44.10841       3.512076  43.28317       2.861504  1317.237 52.66431 1305.752 43.28624 11.48462       68.17058 
1 1 1 -9  8  9  o 573.9124 37.68508 7.932432       1.034914  10.27235       1.818633  6.811799       1.258568  632.5132 57.41827 515.3115 48.82422 117.2018       75.37016 
1 1 1 -9  8  10 o 1022.956 38.14449 26.72862       1.967157  27.14474       2.843545  26.34669       2.724248  1030.470 54.70152 1015.443 53.17659 15.02734       76.28897 
1 1 1 -9  8  11 o 1071.685 36.89093 29.26184       1.995880  29.78073       2.946587  28.82194       2.713053  1080.177 53.88163 1063.194 50.40369 16.98328       73.78185 
1 1 1 -9  8  12 o 2754.355 105.3669 199.1122       14.69291  0.000000       0.000000  199.1122       14.69291  ?        ?        2754.355 105.3669 ?              ?        
1 1 1 -9  8  13 o 1527.471 48.38836 59.49739       3.577668  57.86726       4.424609  62.57601       6.080534  1501.576 58.20280 1553.367 77.31862 -51.79053      96.77673 
1 1 1 -9  8  14 o 1050.452 45.29372 27.83961       2.296321  31.49447       3.943193  25.96406       2.824720  1098.137 71.31253 1002.767 55.86238 95.36993       90.58743 
1 1 1 -9  8  15 o 1160.170 55.33797 34.82214       3.250337  0.000000       0.000000  34.82214       3.250337  ?        ?        1160.170 55.33797 ?              ?        
1 1 1 -9  8  16 o 345.0061 73.01130 3.248515       1.317818  3.822438       2.279446  2.960387       1.615083  365.1124 112.3405 324.8998 93.28561 40.21259       146.0226 
1 1 1 -9  8  17 o 324.4002 74.49342 2.993069       1.428695  3.601834       1.914441  2.227886       2.146346  352.6864 101.6509 296.1140 108.9227 56.57245       148.9868 
1 1 1 -9  8  18 o 210.3817 65.33896 -0.2502545     1.309991  0.6989321      2.127827  -0.8296012     1.662378  242.0042 101.9119 178.7591 81.79662 63.24506       130.6779 
1 1 1 -9  8  19 o 420.8785 70.14142 5.699664       1.438609  6.420817       1.758194  4.238796       2.502409  477.8233 75.16245 363.9337 118.4478 113.8896       140.2828 
1 1 1 -9  8  20 o 633.8225 60.84560 11.71098       1.788108  11.50807       2.197261  12.10884       3.076792  641.1860 68.76149 626.4589 100.4022 14.72711       121.6912 
1 1 1 -9  8  21 o 266.3232 68.25242 2.019356       1.369463  3.260890       1.669275  -0.5363804     2.395006  320.6797 95.61061 211.9668 97.42783 108.7129       136.5048 
1 1 1 -9  8  22 o 213.1104 64.91917 -0.3104878     1.392919  -2.373075      1.854615  2.358546       2.109720  153.6329 74.74351 272.5879 106.1669 -118.9550      129.8383 
1 1 1 -9  9  1  o 1057.045 35.04154 28.40351       1.874807  28.91998       2.687609  27.91399       2.616573  1066.379 49.78183 1047.712 49.32959 18.66736       70.08308 
1 1 1 -9  9  2  o 1075.909 33.85264 29.41895       1.843719  28.93741       2.582442  29.91957       2.633121  1066.938 47.80882 1084.880 47.94081 -17.94275      67.70528 
1 1 1 -9  9  3  o 3013.981 52.43496 232.1642       8.000853  234.0860       11.32428  230.2488       11.30558  3026.531 73.90633 3001.432 74.40131 25.09937       104.8699 
1 1 1 -9  9  4  f 1795.390 39.15742 82.01717       3.556953  85.74578       5.047373  78.33860       5.013381  1836.106 54.29802 1754.675 56.43525 81.43115       78.31483 
1 1 1 -9  9  5  o 1125.926 42.07808 31.77288       2.228162  33.81908       4.001985  30.85364       2.682365  1149.735 69.07377 1102.116 48.07362 47.61829       84.15616 
1 1 1 -9  9  6  o 483.0678 39.52073 6.028756       0.9426945 6.747347       1.338002  5.320450       1.328393  512.6321 52.28654 453.5035 59.27621 59.12857       79.04146 
1 1 1 -9  9  7  o 1636.884 35.38992 68.32793       2.870138  66.87090       4.527402  69.30697       3.711183  1621.575 55.14783 1652.193 44.36781 -30.61816      70.77985 
1 1 1 -9  9  8  o 1493.284 35.16340 57.02774       2.586923  55.19810       4.132933  58.20631       3.317078  1472.687 55.43246 1513.880 43.27934 -41.19238      70.32680 
1 1 1 -9  9  9  o 1347.119 34.39631 45.73058       2.282978  48.08591       3.721053  44.30880       2.891048  1373.933 53.49542 1320.304 43.25116 53.62903       68.79261 
1 1 1 -9  9  10 o 565.2067 47.49203 8.477143       1.295802  6.810372       1.899591  9.927728       1.772122  509.4253 75.97741 620.9882 57.00355 -111.5629      94.98406 
1 1 1 -9  9  11 o 1914.041 50.91737 92.03954       4.661085  100.9717       8.201955  87.77889       5.664709  1976.490 81.96703 1851.592 60.42946 124.8979       101.8347 
1 1 1 -9  9  12 f 1383.561 54.10453 48.97932       3.789794  0.000000       0.000000  48.97932       3.789794  ?        ?        1383.561 54.10453 ?              ?        
1 1 1 -9  9  13 o 2327.290 62.24520 147.7811       6.718542  126.2989       11.66913  158.4335       8.217160  2177.500 105.8514 2477.080 65.52365 -299.5793      124.4904 
1 1 1 -9  9  14 o 1014.402 45.76495 25.19567       2.239966  21.52585       2.731378  32.73283       3.914382  910.3168 59.59494 1118.487 69.47060 -208.1704      91.52990 
1 1 1 -9  9  15 o 741.7312 60.68981 14.42258       2.259051  14.42258       2.259051  0.000000       0.000000  741.7312 60.68981 ?        ?        ?              ?        
1 1 1 -9  9  16 o 944.6738 49.84211 23.75691       2.134864  23.72246       2.533498  23.84130       3.964799  953.9390 52.66253 935.4087 84.63806 18.53027       99.68422 
1 1 1 -9  9  17 o 310.0105 79.44762 2.238672       1.629579  3.987399       2.588104  1.090000       2.097580  365.8625 120.5264 254.1584 103.5427 111.7040       158.8952 
1 1 1 -9  9  18 o 423.1276 97.29185 4.117808       1.792647  9.868057       4.854486  3.209863       1.928988  517.2402 164.6535 329.0149 103.6921 188.2253       194.5837 
1 1 1 -9  9  19 o 289.9675 66.55113 2.427128       1.289697  3.893285       1.681078  0.3297037      2.010669  359.0256 92.05183 220.9094 96.13882 138.1163       133.1023 
1 1 1 -9  9  20 o 319.6216 78.49216 3.289294       1.478848  3.276433       1.745131  3.322058       2.785378  321.4556 98.19443 317.7877 122.4824 3.667938       156.9843 
1 1 1 -9  9  21 o 202.5178 64.93911 -0.2916331     1.409504  -0.7296790     1.820348  0.3641977      2.227361  181.9770 84.10754 223.0585 98.96602 -41.08147      129.8782 
1 1 1 -9  10 1  o 480.8069 39.57272 5.978805       0.9417785 6.367599       1.314399  5.568622       1.350069  497.5829 52.99230 464.0309 58.78621 33.55203       79.14545 
1 1 1 -9  10 2  o 842.0916 34.45663 18.10351       1.456337  20.21145       2.077903  16.06834       2.041719  890.7952 46.23378 793.3880 51.10260 97.40723       68.91327 
1 1 1 -9  10 3  f 1091.413 34.29030 30.21421       1.891542  27.84384       2.621515  32.78859       2.731994  1046.752 49.46805 1136.073 47.49958 -89.32117      68.58060 
1 1 1 -9  10 4  o 2459.795 46.87899 154.1895       5.837918  154.9812       8.267735  153.4022       8.244439  2466.112 66.22015 2453.479 66.37357 12.63306       93.75799 
1 1 1 -9  10 5  o 1915.795 39.89890 93.36549       3.869432  92.18814       5.486625  94.53053       5.457896  1903.695 56.92776 1927.894 55.91887 -24.19910      79.79781 
1 1 1 -9  10 6  o 450.2004 38.21482 5.136837       0.8456860 6.061191       1.298356  4.455689       1.114540  485.3008 53.74687 415.1000 54.33933 70.20081       76.42963 
1 1 1 -9  10 7  o 840.7130 33.14316 17.99543       1.373890  17.98751       2.189514  18.00057       1.764503  839.4193 51.77380 842.0068 41.39264 -2.587524      66.28632 
1 1 1 -9  10 8  o 1722.673 45.39624 74.42631       3.443821  78.55035       6.922432  73.06994       3.969954  1750.210 78.12405 1695.135 46.25914 55.07556       90.79249 
1 1 1 -9  10 9  o 1202.854 33.86009 36.78497       2.004714  37.08938       3.244663  36.59701       2.549565  1206.051 53.13984 1199.657 41.97834 6.393799       67.72018 
1 1 1 -9  10 10 f 1287.324 49.18377 43.32483       2.921019  40.93570       5.253927  44.39370       3.514205  1255.922 83.09962 1318.726 52.63671 -62.80444      98.36753 
1 1 1 -9  10 11 o 361.2897 80.52855 3.142848       1.795780  1.021566       2.516658  5.343344       2.563216  281.2098 113.8366 441.3695 113.9325 -160.1597      161.0571 
1 1 1 -9  10 12 o 2153.880 64.04903 121.4975       6.983052  123.3085       9.843012  119.6623       9.908366  2170.844 89.56033 2136.916 91.58638 33.92822       128.0981 
1 1 1 -9  10 13 o 482.9669 48.21621 6.172966       1.143017  5.998864       1.660834  6.329632       1.575482  475.4897 71.18159 490.4440 65.05682 -14.95428      96.43241 
1 1 1 -9  10 14 o 359.2221 61.32609 3.602174       1.104684  3.145262       1.635270  3.985713       1.498228  336.7405 92.89785 381.7037 80.08462 -44.96317      122.6522 
1 1 1 -9  10 15 o 515.8145 50.68086 7.127216       1.278104  6.097121       1.753180  8.295694       1.867231  473.9021 75.61399 557.7268 67.50350 -83.82471      101.3617 
1 1 1 -9  10 16 o 571.9419 52.32207 8.989505       1.443464  7.105929       2.054505  10.82566       2.028476  506.3479 83.02290 637.5359 63.69924 -131.1880      104.6441 
1 1 1 -9  10 17 o 507.6658 76.48528 7.585084       1.896134  6.796261       2.522137  8.610474       2.875565  477.7070 106.9492 537.6245 109.3703 -59.91748      152.9706 
1 1 1 -9  10 18 o 465.9267 89.61261 6.941154       2.107254  6.440063       2.631320  7.837176       3.518633  452.4182 114.7180 479.4353 137.7006 -27.01715      179.2252 
1 1 1 -9  10 19 o 384.8021 87.28194 5.102897       1.747313  5.215863       1.909152  4.520067       4.336495  413.1590 93.45890 356.4451 147.4381 56.71390       174.5639 
1 1 1 -9  10 20 o 254.7023 74.61475 1.516738       1.590420  2.072933       1.965687  0.4625065      2.706257  267.8913 102.9899 241.5134 107.9931 26.37794       149.2295 
1 1 1 -9  10 21 o 340.7991 79.10285 4.157488       1.574139  4.393155       1.924399  3.680939       2.736525  362.9311 101.0213 318.6671 121.7528 44.26404       158.2057 
1 1 1 -9  11 1  o 683.7051 36.13448 11.94201       1.240360  11.22276       1.733757  12.69611       1.775247  662.3774 52.12209 705.0327 50.06086 -42.65533      72.26896 
1 1 1 -9  11 2  f 1503.364 38.10825 57.45801       2.899174  59.90341       4.137404  55.09896       4.063692  1534.864 53.24446 1471.865 54.53423 62.99915       76.21651 
1 1 1 -9  11 3  o 1407.682 36.55962 50.38507       2.604862  51.27171       3.667269  49.48224       3.700620  1420.263 51.00236 1395.100 52.39448 25.16333       73.11923 
1 1 1 -9  11 4  o 943.8848 34.60556 22.63065       1.643631  25.46813       2.378984  20.03923       2.273493  1001.295 46.92950 886.4746 50.87044 114.8204       69.21113 
1 1 1 -9  11 5  o 2207.924 44.49911 124.3038       4.969241  118.2521       7.039873  130.3134       7.015326  2153.948 64.55738 2261.899 61.26197 -107.9512      88.99823 
1 1 1 -9  11 6  o 1599.449 34.68852 65.29556       2.750996  63.75258       4.326837  66.34251       3.564135  1582.789 53.99627 1616.109 43.56120 -33.31982      69.37704 
1 1 1 -9  11 7  o 1036.792 45.32313 26.67457       2.195296  29.89829       4.021168  25.30580       2.620224  1077.986 74.13161 995.5980 52.16559 82.38806       90.64626 
1 1 1 -9  11 8  o 1428.304 45.40582 52.02113       2.745640  52.71229       5.755658  51.81751       3.124003  1429.281 79.86086 1427.327 43.23190 1.954468       90.81165 
1 1 1 -9  11 9  o 1119.086 36.26201 31.88063       2.048372  35.49798       2.968512  28.59271       2.830113  1179.815 49.69825 1058.357 52.81873 121.4585       72.52402 
1 1 1 -9  11 10 o 509.2845 49.43716 6.805972       1.238068  6.445951       1.772297  7.149111       1.730245  495.1555 72.87855 523.4134 66.81953 -28.25787      98.87433 
1 1 1 -9  11 11 o 1087.764 56.67883 31.48733       3.027038  25.60142       4.441448  36.59288       4.136552  986.2750 89.93839 1189.254 69.00034 -202.9787      113.3577 
1 1 1 -9  11 12 o 204.6155 59.24276 0.3722197      1.010072  -0.9219585     1.752657  1.015818       1.235968  187.4926 85.09302 221.7384 82.44997 -34.24586      118.4855 
1 1 1 -9  11 13 o 1053.711 37.88563 28.67347       2.013481  29.35308       2.901594  28.04228       2.796309  1065.621 53.95956 1041.802 53.19444 23.81897       75.77126 
1 1 1 -9  11 14 o 381.0899 62.59013 4.032890       1.194736  3.128731       1.648012  5.034477       1.734532  334.4375 93.62631 427.7423 83.09159 -93.30484      125.1803 
1 1 1 -9  11 15 o 1006.999 38.29295 26.40073       1.941674  28.02329       2.849631  24.99458       2.652806  1035.639 54.54192 978.3596 53.76410 57.27905       76.58589 
1 1 1 -9  11 16 o 507.7249 65.81818 7.361838       1.585444  7.417811       2.020364  7.272122       2.557847  517.6794 79.64002 497.7704 104.8122 19.90900       131.6364 
1 1 1 -9  11 17 o 635.2133 73.08644 12.04109       2.214147  9.017556       3.137874  15.03933       3.124720  539.8306 118.0986 730.5960 86.13494 -190.7654      146.1729 
1 1 1 -9  11 18 o 632.0330 59.34670 9.953930       1.716606  17.41768       3.129150  6.740752       2.053124  784.1782 79.93618 479.8878 87.74013 304.2903       118.6934 
1 1 1 -9  11 19 o 224.3530 67.81636 0.7152589      1.368017  1.025432       1.790720  0.2805092      2.120044  228.9431 94.72538 219.7629 97.07388 9.180206       135.6327 
1 1 1 -9  11 20 o 158.7230 53.14916 -1.313824      1.135647  -1.195934      1.547516  -1.451404      1.671764  157.5724 74.34590 159.8735 75.97380 -2.301041      106.2983 
1 1 1 -9  11 21 o 247.9773 95.80668 1.820449       1.707425  1.820449       1.707425  0.000000       0.000000  247.9773 95.80668 ?        ?        ?              ?        
1 1 1 -9  12 1  o 1689.779 39.32288 72.65701       3.363996  72.25887       4.751194  73.05724       4.763648  1685.124 55.69128 1694.433 55.53049 -9.309326      78.64575 
1 1 1 -9  12 2  o 1399.903 36.40477 49.84792       2.579129  48.45170       3.657244  51.22927       3.637713  1380.290 52.33592 1419.515 50.61799 -39.22449      72.80955 
1 1 1 -9  12 3  o 1266.843 36.48335 40.80478       2.339372  39.57733       3.285721  42.06667       3.331496  1247.477 52.02530 1286.209 51.16159 -38.73242      72.96671 
1 1 1 -9  12 4  o 840.0543 42.85174 18.24011       1.718998  17.52518       2.893492  18.63007       2.137000  825.5440 69.88681 854.5646 49.60767 -29.02063      85.70348 
1 1 1 -9  12 5  o 406.4463 50.63453 3.959385       0.9520656 5.652305       1.718701  3.209930       1.143549  464.1064 75.76183 348.7862 67.19796 115.3201       101.2691 
1 1 1 -9  12 6  o 396.1394 44.93092 4.209540       0.8386481 3.668906       1.334527  4.562391       1.078132  372.1318 73.44254 420.1470 51.78170 -48.01523      89.86184 
1 1 1 -9  12 7  o 710.8391 47.68444 12.24288       1.637363  9.973757       2.022580  16.55777       2.789080  620.9000 65.32259 800.7782 69.48512 -179.8782      95.36887 
1 1 1 -9  12 8  o 393.2601 50.42950 3.731358       0.9037918 5.152360       1.683964  3.156425       1.071135  440.7990 78.32832 345.7213 63.53905 95.07773       100.8590 
1 1 1 -9  12 9  o 353.2262 60.69879 3.328728       1.069220  3.709090       1.619916  3.035094       1.423303  370.7071 87.68662 335.7452 83.95491 34.96191       121.3976 
1 1 1 -9  12 10 o 2324.408 42.94340 138.7692       4.948801  138.5550       7.827066  138.9118       6.387610  2319.542 66.65199 2329.275 54.16690 -9.732910      85.88680 
1 1 1 -9  12 11 f 282.7034 68.40405 1.705571       1.401279  -1.340536      2.366753  3.349714       1.738802  214.8576 98.03988 350.5492 95.41821 -135.6917      136.8081 
1 1 1 -9  12 12 o 589.3186 56.26672 9.696903       1.484203  8.062101       2.565548  10.51926       1.819605  542.5250 96.96510 636.1122 57.10992 -93.58728      112.5334 
1 1 1 -9  12 13 o 704.0754 42.37202 13.08217       1.481226  11.67491       2.156601  14.33886       2.037968  665.7505 64.80602 742.4004 54.60526 -76.64984      84.74405 
1 1 1 -9  12 14 o 871.1536 40.01834 19.83756       1.752090  18.26195       2.435375  21.52804       2.522584  834.4861 58.00567 907.8210 55.14721 -73.33490      80.03669 
1 1 1 -9  12 15 o 1108.430 38.50105 32.19603       2.153653  30.43014       3.050249  33.95150       3.041223  1076.287 56.17360 1140.573 52.66737 -64.28601      77.00211 
1 1 1 -9  12 16 o 833.1399 53.76099 19.13457       2.054511  19.37475       2.481190  18.61071       3.664337  854.7938 57.67159 811.4861 90.74670 43.30768       107.5220 
1 1 1 -9  12 17 o 388.8986 83.76067 4.825572       1.828802  3.839997       2.586390  5.811035       2.586244  350.1874 120.5145 427.6098 116.3601 -77.42233      167.5213 
1 1 1 -9  12 18 o 470.7840 87.74714 8.071841       2.232794  9.777407       2.871629  5.464305       3.550662  558.0788 105.5018 383.4892 140.2413 174.5896       175.4943 
1 1 1 -9  12 19 o 179.0631 58.39621 -0.7782631     1.236490  -0.1372612     1.798542  -1.352777      1.702713  194.4497 87.41270 163.6765 77.45635 30.77316       116.7924 
1 1 1 -9  12 20 o 413.3356 65.15877 6.173208       1.435982  8.446712       1.839779  2.629009       2.297084  541.9749 68.58564 284.6963 110.8092 257.2786       130.3175 
1 1 1 -9  12 21 o 321.3610 94.42045 3.515374       1.637660  3.515374       1.637660  0.000000       0.000000  321.3610 94.42045 ?        ?        ?              ?        
1 1 1 -9  13 1  o 2132.877 53.30782 116.5050       5.464485  116.2773       9.317255  116.6244       6.746645  2127.529 86.50255 2138.225 62.32336 -10.69580      106.6156 
1 1 1 -9  13 2  o 1079.659 41.90827 30.57527       2.169351  26.98163       3.557566  32.70250       2.737121  1025.289 68.93733 1134.030 47.67447 -108.7411      83.81654 
1 1 1 -9  13 3  o 611.8965 42.63910 9.640120       1.281134  9.638656       1.667235  9.642230       2.001936  612.8118 54.30090 610.9812 65.75547 1.830627       85.27819 
1 1 1 -9  13 4  o 1584.961 37.73407 64.06341       3.024540  62.30120       4.341182  65.72564       4.216244  1563.473 54.84460 1606.449 51.84121 -42.97583      75.46814 
1 1 1 -9  13 5  o 1432.664 34.54190 52.76323       2.433823  50.08922       3.884128  54.49186       3.122949  1401.399 54.74545 1463.928 42.13678 -62.52930      69.08380 
1 1 1 -9  13 6  o 1689.255 46.79712 73.34795       3.418448  72.70628       6.945508  73.55309       3.927026  1678.925 81.71264 1699.586 45.63908 -20.66174      93.59424 
1 1 1 -9  13 7  o 1200.205 38.64296 36.92647       2.340530  34.72401       3.377288  38.96176       3.246597  1165.108 57.25565 1235.301 51.91248 -70.19360      77.28593 
1 1 1 -9  13 8  o 706.2075 37.73809 13.04175       1.256682  12.16016       2.145365  13.50226       1.550541  685.6063 62.49422 726.8087 42.32171 -41.20239      75.47618 
1 1 1 -9  13 9  o 729.5520 40.00021 13.72495       1.464312  14.49079       2.081566  12.97468       2.060298  750.1337 55.19881 708.9703 57.90648 41.16339       80.00043 
1 1 1 -9  13 10 o 317.0511 69.49641 2.470670       1.103871  3.084121       2.233466  2.272383       1.269802  342.9859 111.9152 291.1163 82.42574 51.86960       138.9928 
1 1 1 -9  13 11 o 748.6947 57.17274 14.69343       2.117126  16.25113       3.242285  13.53559       2.795325  782.2828 83.14031 715.1067 78.50210 67.17609       114.3455 
1 1 1 -9  13 12 o 539.5234 64.18383 9.536689       1.436447  4.709157       2.557869  11.76048       1.736050  405.6242 117.6687 673.4225 51.30634 -267.7984      128.3677 
1 1 1 -9  13 13 o 557.7141 46.11976 8.223752       1.272509  8.778209       1.906049  7.777906       1.709201  574.1186 66.82697 541.3096 63.57897 32.80902       92.23952 
1 1 1 -9  13 14 o 407.3647 57.85452 4.583698       1.169122  7.336143       1.752674  2.377172       1.569266  521.8667 67.94868 292.8626 93.65661 229.0041       115.7090 
1 1 1 -9  13 15 o 528.8234 51.10215 7.650846       1.332135  7.823237       1.899615  7.484035       1.868615  534.9244 71.97013 522.7222 72.56735 12.20221       102.2043 
1 1 1 -9  13 16 o 245.6531 68.38691 1.297797       1.238303  1.335436       1.620298  1.244942       1.920067  242.3581 93.41553 248.9482 99.90304 -6.590103      136.7738 
1 1 1 -9  13 17 o 210.0243 57.97704 0.7195641E-01  1.180266  -4.102359      2.045253  2.156142       1.445182  147.3898 73.01833 272.6587 90.07594 -125.2689      115.9541 
1 1 1 -9  13 18 o 734.0764 57.36152 15.96366       2.015537  14.75884       3.194053  16.76086       2.598144  695.2451 93.08079 772.9078 67.06223 -77.66278      114.7230 
1 1 1 -9  13 19 o 212.4486 63.47039 0.3589562      1.249742  1.867356       1.820311  -0.9859820     1.718853  254.4698 98.75329 170.4274 79.76057 84.04247       126.9408 
1 1 1 -9  13 20 o 343.6155 70.06048 4.052143       1.298332  4.451109       1.748721  3.562095       1.938082  368.1221 93.61652 319.1090 104.2585 49.01315       140.1210 
1 1 1 -9  14 1  o 899.0155 40.86601 20.26095       1.807701  18.72399       2.288126  22.81335       2.948649  855.3455 53.10137 942.6854 62.13187 -87.33990      81.73203 
1 1 1 -9  14 2  o 592.5232 52.67242 7.736427       1.288627  11.89690       2.963088  6.766010       1.431041  673.1357 89.14047 511.9106 56.13831 161.2252       105.3448 
1 1 1 -9  14 3  o 850.0026 37.78893 18.50840       1.616764  17.70179       2.282584  19.32050       2.290335  831.1365 54.54910 868.8686 52.31070 -37.73212      75.57787 
1 1 1 -9  14 4  o 293.2687 51.64215 2.281095       0.7397380 2.309039       1.248913  2.265993       0.9181155 294.6263 81.14646 291.9112 63.89755 2.715088       103.2843 
1 1 1 -9  14 5  o 874.5489 45.48506 19.06982       1.600309  20.75322       3.627271  18.66295       1.783244  892.7453 81.14039 856.3525 41.13150 36.39282       90.97012 
1 1 1 -9  14 6  o 447.7780 51.37895 5.520219       0.9947923 4.764846       1.856202  5.824602       1.178297  420.4299 89.92762 475.1262 49.72132 -54.69629      102.7579 
1 1 1 -9  14 7  o 1256.499 35.89042 40.93282       2.197369  38.10096       3.566346  42.66575       2.789826  1219.169 57.77980 1293.828 42.59089 -74.65991      71.78085 
1 1 1 -9  14 8  o 964.4825 39.81750 24.29016       1.903793  20.82519       2.820262  27.19088       2.580435  897.7449 62.44018 1031.220 49.42627 -133.4752      79.63499 
1 1 1 -9  14 9  o 738.1737 46.85169 13.60461       1.693184  10.72483       2.166405  18.12485       2.714197  640.6837 67.82130 835.6637 64.65753 -194.9800      93.70338 
1 1 1 -9  14 10 o 271.2241 63.76378 1.976049       1.109458  -1.055689      2.442386  2.764278       1.245360  223.4970 101.0357 318.9513 77.81430 -95.45428      127.5276 
1 1 1 -9  14 11 o 244.9264 63.22991 1.076760       1.041258  0.3100709      1.331167  2.285361       1.671338  195.3540 81.31818 294.4987 96.84750 -99.14471      126.4598 
1 1 1 -9  14 12 o 587.5215 52.27159 8.924846       1.397642  10.17995       2.593091  8.410934       1.659288  609.8397 86.40547 565.2032 58.85041 44.63654       104.5432 
1 1 1 -9  14 13 o 253.9532 63.69384 1.604027       1.020209  1.788431       1.542376  1.460590       1.360303  264.2251 92.94319 243.6813 87.11593 20.54379       127.3877 
1 1 1 -9  14 14 o 713.9960 42.64131 13.61894       1.518877  14.69720       2.114533  12.46957       2.183142  745.6242 56.43388 682.3679 63.94016 63.25635       85.28262 
1 1 1 -9  14 15 o 508.3931 51.27177 7.097683       1.275577  6.765323       1.704642  7.520595       1.922888  496.2599 69.77595 520.5264 75.14316 -24.26645      102.5435 
1 1 1 -9  14 16 o 286.5161 91.44613 2.399367       1.496629  2.399367       1.496629  0.000000       0.000000  286.5161 91.44613 ?        ?        ?              ?        
1 1 1 -9  14 17 o 393.4037 71.07198 4.578627       1.371246  6.299010       2.358914  3.700579       1.685227  441.8253 106.6684 344.9823 93.95081 96.84299       142.1440 
1 1 1 -9  14 18 o 259.6811 66.63100 1.964818       1.226755  2.973330       1.624832  0.6277835      1.870852  303.4041 95.09544 215.9581 93.35748 87.44597       133.2620 
1 1 1 -9  14 19 o 574.3862 53.72390 9.774090       1.512592  11.13341       2.185184  8.523622       2.095867  618.0057 71.13942 530.7667 80.52460 87.23895       107.4478 
1 1 1 -9  14 20 o 309.7936 67.23173 3.361895       1.257325  4.603497       1.709857  1.900110       1.855284  372.0191 91.43346 247.5681 98.59180 124.4510       134.4635 
1 1 1 -9  15 1  o 890.9539 46.22618 20.35115       1.852007  20.18907       2.177378  20.77518       3.521820  888.3040 48.60022 893.6037 78.64769 -5.299744      92.45237 
1 1 1 -9  15 2  o 1759.812 40.84989 79.29385       3.637236  82.65303       5.152065  75.95605       5.135632  1797.364 56.61892 1722.260 58.89950 75.10449       81.69978 
1 1 1 -9  15 3  o 403.2084 45.02884 4.148202       0.8548940 4.707289       1.455100  3.853493       1.056451  422.2104 70.56424 384.2064 55.95598 38.00406       90.05767 
1 1 1 -9  15 4  o 965.3741 49.63433 25.45139       1.868714  21.94419       4.132486  26.35291       2.095168  913.4821 90.54974 1017.266 40.68183 -103.7842      99.26866 
1 1 1 -9  15 5  o 1199.915 46.19634 37.90530       2.277995  35.75512       4.862353  38.50996       2.578477  1170.481 82.58356 1229.348 41.42902 -58.86694      92.39268 
1 1 1 -9  15 6  o 546.3245 44.60947 7.682931       1.052767  7.961052       2.087336  7.588047       1.219195  549.1612 77.20994 543.4877 44.70621 5.673462       89.21894 
1 1 1 -9  15 7  o 1501.135 39.08577 57.88942       2.964469  56.45908       4.298499  59.18676       4.093774  1482.694 57.26400 1519.576 53.21299 -36.88257      78.17153 
1 1 1 -9  15 8  o 1295.031 38.03898 43.06024       2.492420  43.14042       3.590015  42.98564       3.463041  1295.877 54.72035 1294.186 52.85395 1.691406       76.07796 
1 1 1 -9  15 9  o 325.2876 59.75861 2.742232       0.9972421 3.892919       1.574147  1.970820       1.288872  377.5192 84.47199 273.0560 84.55085 104.4632       119.5172 
1 1 1 -9  15 10 o 376.0459 63.10711 4.263359       1.128880  2.810648       2.112427  4.844068       1.335585  324.9905 108.9507 427.1013 63.71640 -102.1107      126.2142 
1 1 1 -9  15 11 o 382.7036 63.27832 3.890472       1.191243  2.970398       1.513529  5.388265       1.931101  325.9433 89.14867 439.4639 89.82815 -113.5206      126.5566 
1 1 1 -9  15 12 o 764.9137 50.05250 15.85959       1.740916  15.23037       3.146095  16.13729       2.090077  744.3934 85.00497 785.4341 52.86932 -41.04071      100.1050 
1 1 1 -9  15 13 o 251.2838 61.37954 1.641318       0.9573776 1.961177       1.348366  1.316118       1.359577  267.3615 86.94298 235.2061 86.66435 32.15536       122.7591 
1 1 1 -9  15 14 o 150.6623 50.15701 -1.365637      0.9978158 -1.962286      1.442092  -0.8176214     1.382070  140.9386 67.91509 160.3861 73.82711 -19.44749      100.3140 
1 1 1 -9  15 15 o 457.8503 54.97039 5.935582       1.226272  5.992990       1.793503  5.885185       1.680436  458.4607 80.19141 457.2399 75.20846 1.220734       109.9408 
1 1 1 -9  15 16 o 242.9262 88.68852 1.588069       1.419159  1.588069       1.419159  0.000000       0.000000  242.9262 88.68852 ?        ?        ?              ?        
1 1 1 -9  15 17 o 238.8511 64.57865 1.400323       1.234049  -0.7354638     2.113938  2.504430       1.519913  195.0398 90.31777 282.6624 92.32718 -87.62251      129.1573 
1 1 1 -9  15 18 o 207.9520 62.23447 0.3336784      1.245903  1.828207       1.704191  -1.382248      1.826061  248.6913 95.81828 167.2127 79.44417 81.47864       124.4689 
1 1 1 -9  15 19 o 223.0343 64.97932 0.7724512      1.194801  -0.2556836     1.503565  2.534079       1.968132  172.6776 78.54062 273.3909 103.5404 -100.7133      129.9586 
1 1 1 -9  15 20 o 202.8595 62.80072 0.3072532      1.311179  1.875964       1.864973  -1.226011      1.843783  240.6270 97.78651 165.0919 78.82587 75.53513       125.6014 
1 1 1 -9  16 1  o 448.9610 61.25981 4.552979       1.133266  3.917852       1.262988  7.177057       2.567185  384.5320 67.32909 513.3900 102.3614 -128.8579      122.5196 
1 1 1 -9  16 2  o 981.5959 32.71318 24.79351       1.573270  23.98580       2.532167  25.30136       2.007843  966.6930 51.92946 996.4988 39.79874 -29.80585      65.42636 
1 1 1 -9  16 3  o 550.7363 40.78717 8.355018       1.026887  6.375821       1.691629  9.509930       1.292216  492.2471 69.83775 609.2256 42.15524 -116.9785      81.57435 
1 1 1 -9  16 4  o 412.4081 59.28179 3.043473       0.8971967 7.474307       2.537160  2.410215       0.9591703 524.5828 99.16564 300.2334 64.98846 224.3493       118.5636 
1 1 1 -9  16 5  o 1076.733 35.42580 29.51773       1.830507  30.38668       3.138331  29.06968       2.253555  1086.074 57.27884 1067.392 41.70234 18.68176       70.85161 
1 1 1 -9  16 6  o 963.0073 35.07144 23.31141       1.620785  25.34885       2.811060  22.29679       1.983715  991.5143 56.23140 934.5004 41.92916 57.01385       70.14288 
1 1 1 -9  16 7  o 465.0966 54.10714 5.815082       1.217943  6.064009       1.633830  5.503742       1.827210  478.6602 69.44876 451.5330 82.98917 27.12723       108.2143 
1 1 1 -9  16 8  o 635.8965 49.64450 10.71045       1.560575  11.20086       2.126337  10.13786       2.297570  653.6682 65.11944 618.1249 74.95174 35.54333       99.28900 
1 1 1 -9  16 9  o 377.6436 64.23283 4.398029       1.148725  2.659950       2.247192  5.012863       1.336547  320.5909 112.2197 434.6964 62.53137 -114.1055      128.4657 
1 1 1 -9  16 10 o 186.1068 56.07928 0.1900495      0.8904559 -0.7515299     1.710582  0.5400385      1.042900  186.0673 84.29489 186.1464 73.98590 -0.7910156E-01 112.1586 
1 1 1 -9  16 11 o 588.3998 56.84155 9.935408       1.530625  11.17878       1.942723  7.900294       2.485451  649.8950 59.71302 526.9047 96.73780 122.9902       113.6831 
1 1 1 -9  16 12 o 484.2456 58.49063 6.248574       1.272624  7.413507       2.382394  5.783440       1.505403  506.8123 96.37238 461.6788 66.30975 45.13351       116.9813 
1 1 1 -9  16 13 o 409.0031 54.64366 4.646307       1.081677  5.230171       1.662008  4.217270       1.424706  430.5381 79.16692 387.4681 75.34132 43.07004       109.2873 
1 1 1 -9  16 14 o 279.7784 66.07784 2.225994       1.123966  1.609040       1.615862  2.804306       1.564441  251.8241 94.14751 307.7327 92.74355 -55.90862      132.1557 
1 1 1 -9  16 15 o 350.3583 64.72626 3.733358       1.161173  3.578012       1.681956  3.874820       1.605035  341.7816 94.18426 358.9351 88.81038 -17.15353      129.4525 
1 1 1 -9  16 16 o 417.5560 94.70525 5.482792       1.955999  5.482792       1.955999  0.000000       0.000000  417.5560 94.70525 ?        ?        ?              ?        
1 1 1 -9  16 17 o 199.8325 95.05225 -1.451012      2.628694  0.000000       0.000000  -1.451012      2.628694  ?        ?        199.8325 95.05225 ?              ?        
1 1 1 -9  16 18 o 459.0782 65.30759 6.821598       1.464170  5.788631       2.003839  8.004807       2.144619  415.4897 97.02116 502.6667 87.44837 -87.17691      130.6152 
1 1 1 -9  16 19 o 175.9533 56.53467 -0.1331824     1.096901  -0.3709586     1.505823  0.1356205      1.601057  167.5398 77.09837 184.3669 82.70742 -16.82716      113.0693 
1 1 1 -9  17 1  o 449.6348 66.05254 7.467279       1.433607  9.576916       1.648041  0.9059806      2.906425  608.4315 54.06568 290.8382 120.5349 317.5933       132.1051 
1 1 1 -9  17 2  o 1471.063 50.38552 56.38809       3.444855  55.82777       6.197368  56.63863       4.144051  1457.437 84.35186 1484.689 55.13227 -27.25195      100.7710 
1 1 1 -9  17 3  o 1258.799 54.17819 43.23672       3.055556  37.09007       5.570766  45.88168       3.654309  1181.129 93.93709 1336.468 54.00861 -155.3390      108.3564 
1 1 1 -9  17 4  o 848.5144 49.41804 19.00418       1.641858  18.41190       3.710185  19.14841       1.830888  831.2617 89.57531 865.7672 41.77121 -34.50543      98.83607 
1 1 1 -9  17 5  o 556.7539 44.01473 7.586524       1.151044  9.723825       2.082082  6.645807       1.381321  608.1916 68.83147 505.3162 54.87635 102.8754       88.02946 
1 1 1 -9  17 6  o 489.5879 46.17789 5.814651       1.068075  8.601475       1.842064  4.403205       1.310938  572.2579 64.71878 406.9180 65.88681 165.3399       92.35579 
1 1 1 -9  17 7  o 339.0485 63.72494 3.171785       1.110981  3.012022       1.519248  3.355417       1.628795  330.2651 88.89703 347.8318 91.32793 -17.56668      127.4499 
1 1 1 -9  17 8  o 902.1871 38.93837 21.18648       1.759622  21.13354       2.630588  21.22935       2.367167  899.7988 58.05600 904.5754 51.90652 -4.776550      77.87673 
1 1 1 -9  17 9  o 355.1431 62.80305 3.096090       1.081111  5.198854       1.963927  2.181834       1.294983  428.7750 93.13714 281.5112 84.27555 147.2638       125.6061 
1 1 1 -9  17 10 f 385.5952 55.52579 4.193191       1.028952  3.856853       1.617496  4.421815       1.333575  368.1012 87.98969 403.0893 67.75152 -34.98813      111.0516 
1 1 1 -9  17 11 f 284.8944 64.99052 2.298690       1.200970  3.386041       1.491826  0.2962827      2.024461  343.4786 85.98716 226.3102 97.47449 117.1684       129.9810 
1 1 1 -9  17 12 o 281.3565 63.07663 2.311185       1.006400  1.687814       1.766912  2.610538       1.224427  260.6711 98.25375 302.0419 79.12553 -41.37088      126.1533 
1 1 1 -9  17 13 o 190.5006 59.25507 -0.1045994     1.123280  -0.8824580     1.757061  0.4330439      1.460776  180.6268 83.18053 200.3743 84.41359 -19.74750      118.5101 
1 1 1 -9  17 14 o 282.3246 70.24147 2.313488       1.228398  2.521294       1.940656  2.174566       1.586734  291.2540 104.0603 273.3951 94.37642 17.85889       140.4829 
1 1 1 -9  17 15 o 282.3931 68.05503 2.466496       1.186211  2.920347       1.612287  1.930916       1.751451  304.7382 94.59957 260.0480 97.86148 44.69012       136.1101 
1 1 1 -9  17 16 o 191.6058 84.85583 0.1623791      1.630239  0.1623791      1.630239  0.000000       0.000000  191.6058 84.85583 ?        ?        ?              ?        
1 1 1 -9  17 17 o 351.4630 79.96290 4.959806       1.631110  3.806981       3.628558  5.251748       1.825998  303.7519 130.6643 399.1740 92.21227 -95.42218      159.9258 
1 1 1 -9  17 18 o 292.6159 67.31821 2.870189       1.358367  4.931832       1.870616  0.5703319      1.975733  376.3071 97.42439 208.9248 92.92714 167.3823       134.6364 
1 1 1 -9  17 19 o 215.0857 65.56941 1.146787       1.301995  1.649078       1.896468  0.6989709      1.790680  229.4650 96.39943 200.7064 88.90749 28.75859       131.1388 
1 1 1 -9  18 1  o 453.2851 51.67274 5.521047       1.125565  5.667415       1.473419  5.315937       1.744200  463.1908 64.58981 443.3794 80.67493 19.81146       103.3455 
1 1 1 -9  18 2  o 320.3972 67.43194 2.384393       0.8095403 3.114927       2.617326  2.307112       0.8512836 347.0819 121.1309 293.7124 59.29225 53.36954       134.8639 
1 1 1 -9  18 3  o 436.1334 69.08920 6.605333       1.168799  2.691124       3.088923  7.259392       1.262681  342.5954 129.7226 529.6714 47.59537 -187.0760      138.1784 
1 1 1 -9  18 4  o 1347.606 39.00940 47.19841       2.632077  44.66729       3.964229  49.19394       3.519897  1312.820 59.64443 1382.392 50.29387 -69.57227      78.01879 
1 1 1 -9  18 5  o 1127.217 36.47465 32.42990       2.063112  35.38968       3.181471  30.28201       2.710221  1170.227 53.70000 1084.207 49.37519 86.01941       72.94930 
1 1 1 -9  18 6  o 705.0258 46.05944 13.01488       1.610865  12.42237       2.121571  13.82145       2.475340  687.5643 61.60126 722.4871 68.49214 -34.92279      92.11888 
1 1 1 -9  18 7  f 933.7683 44.83329 23.39417       2.033465  24.89765       2.619317  21.11347       3.226076  977.8375 53.10918 889.6992 72.24619 88.13837       89.66659 
1 1 1 -9  18 8  o 615.8782 81.53270 10.40832       2.479707  10.40832       2.479707  0.000000       0.000000  615.8782 81.53270 ?        ?        ?              ?        
1 1 1 -9  18 9  o 238.8195 62.99049 1.196093       0.9643551 1.867190       1.721745  0.8893201      1.164086  270.2176 97.83369 207.4214 79.37113 62.79623       125.9810 
1 1 1 -9  18 10 o 283.1593 61.12860 2.294881       1.027216  1.119936       1.571407  3.171574       1.357387  233.0957 91.39349 333.2229 81.20379 -100.1272      122.2572 
1 1 1 -9  18 11 o 346.2010 63.72556 3.453162       1.091623  3.827367       1.839711  3.249815       1.356168  356.5421 98.60510 335.8598 80.75162 20.68231       127.4511 
1 1 1 -9  18 12 o 337.4831 66.02313 3.403078       1.159508  3.717216       1.756394  3.160415       1.543703  349.7488 96.19078 325.2174 90.46297 24.53143       132.0463 
1 1 1 -9  18 13 o 165.0963 54.96249 -1.615020      1.124378  -0.1702422     1.871368  -2.431237      1.406570  200.8502 89.80733 129.3425 63.38885 71.50769       109.9250 
1 1 1 -9  18 14 o 303.8601 66.01967 2.728681       1.237434  4.531651       1.788442  1.072820       1.713928  380.4145 93.51958 227.3058 93.21198 153.1086       132.0393 
1 1 1 -9  18 15 o 374.8405 66.23699 4.421183       1.383972  7.519086       2.094065  2.018629       1.844135  491.6063 87.33698 258.0746 99.60728 233.5317       132.4740 
1 1 1 -9  18 16 o 180.2762 58.54399 -0.3455767     1.207987  -0.5352048     1.608412  -0.1002122     1.829582  170.5154 78.89790 190.0369 86.51424 -19.52150      117.0880 
1 1 1 -9  18 17 o 315.2601 81.38110 3.658684       1.589899  5.436438       2.855434  2.859896       1.914046  350.0321 126.1017 280.4880 102.9072 69.54404       162.7622 
1 1 1 -9  18 18 f 234.6036 69.07444 1.689046       1.377961  1.015208       1.924164  2.398432       1.974265  213.4973 93.45084 255.7099 101.7450 -42.21263      138.1489 
1 1 1 -9  19 1  o 160.2839 53.42778 -0.2936746     0.7083717 -5.138788      2.804551  0.3648908E-01  0.7321095 181.0260 88.87724 139.5419 59.32073 41.48413       106.8556 
1 1 1 -9  19 2  o 1148.972 49.98463 35.61025       2.488235  33.27173       4.883505  36.43022       2.891751  1109.432 87.65957 1188.513 48.05885 -79.08069      99.96926 
1 1 1 -9  19 3  o 836.4140 50.65905 17.87583       1.723306  19.85466       3.825117  17.37190       1.930303  853.2047 89.90737 819.6234 46.71212 33.58130       101.3181 
1 1 1 -9  19 4  o 208.6657 59.31303 0.5978018      0.7268704 1.081792       1.878687  0.5125965      0.7882599 248.7170 99.16055 168.6143 65.11013 80.10272       118.6261 
1 1 1 -9  19 5  o 780.6262 39.38099 16.20084       1.512914  14.51768       2.308319  17.46839       2.003152  741.2098 62.08545 820.0426 48.46489 -78.83276      78.76198 
1 1 1 -9  19 6  o 881.1294 66.14770 21.53823       2.863352  22.43678       4.464778  20.91047       3.731853  890.2830 100.8358 871.9758 85.63999 18.30719       132.2954 
1 1 1 -9  19 7  o 936.8494 46.13622 23.39180       2.083820  23.60465       3.473454  23.27213       2.604597  933.1207 74.13686 940.5780 54.93569 -7.457275      92.27245 
1 1 1 -9  19 8  o 269.4703 64.55089 1.993539       1.030640  1.757305       1.741624  2.120849       1.278540  264.4746 97.96568 274.4661 84.08325 -9.991486      129.1018 
1 1 1 -9  19 9  f 738.5260 42.26131 14.52559       1.554766  15.33787       2.371029  13.91284       2.059316  754.6430 62.62585 722.4089 56.76333 32.23407       84.52262 
1 1 1 -9  19 10 o 892.6658 40.03468 21.31654       1.797023  21.11939       2.606693  21.49509       2.480732  887.2434 58.35709 898.0881 54.82293 -10.84473      80.06937 
1 1 1 -9  19 11 o 247.6359 64.08981 1.137145       1.094774  2.999146       1.808951  0.6100914E-01  1.375214  312.9423 100.6053 182.3295 79.42661 130.6128       128.1796 
1 1 1 -9  19 12 o 210.3271 61.68643 0.6758786      1.104670  -0.1997778     1.786932  1.217517       1.405386  195.3179 87.51535 225.3364 86.95933 -30.01845      123.3729 
1 1 1 -9  19 13 o 208.1736 59.00424 0.6736702      1.086051  -1.798463      1.966726  1.758251       1.302683  170.3568 81.35960 245.9903 85.47875 -75.63354      118.0085 
1 1 1 -9  19 14 o 283.5528 71.54292 2.463730       1.312839  3.832853       2.058194  1.524571       1.704648  329.7195 107.4268 237.3861 94.51478 92.33342       143.0858 
1 1 1 -9  19 15 o 196.6128 61.19612 0.4198643      1.126869  0.7524943      1.925146  0.2464969      1.389847  213.4120 93.44252 179.8136 79.04654 33.59845       122.3922 
1 1 1 -9  19 16 f 191.1820 62.73159 -0.4969974     1.450761  -1.444597      1.938110  0.7105977      2.187897  166.5191 79.85790 215.8449 96.76635 -49.32582      125.4632 
1 1 1 -9  19 17 o 273.3375 78.10300 2.828045       1.585930  3.985128       2.784147  2.272259       1.929584  295.1295 119.6418 251.5455 100.4298 43.58409       156.2060 
1 1 1 -9  19 18 o 285.9906 74.02122 3.549188       1.400256  3.600759       1.908792  3.489098       2.060410  290.8744 103.2792 281.1069 106.0659 9.767456       148.0424 
1 1 1 -9  20 1  f 233.5341 72.02913 1.470180       0.9364289 0.000000       0.000000  1.470180       0.9364289 ?        ?        233.5341 72.02913 ?              ?        
1 1 1 -9  20 2  o 605.8527 57.43215 9.442232       1.189231  11.03289       3.207613  9.188740       1.280490  616.6819 106.5955 595.0234 42.79255 21.65857       114.8643 
1 1 1 -9  20 3  f 351.6148 59.41190 3.859233       0.8845373 2.577185       2.076826  4.143328       0.9776416 307.0990 107.8603 396.1306 49.85222 -89.03165      118.8238 
1 1 1 -9  20 4  o 497.4068 54.90736 6.779792       1.318974  7.198755       2.064363  6.490777       1.714582  507.4934 83.23384 487.3201 71.63380 20.17334       109.8147 
1 1 1 -9  20 5  o 390.0512 80.60911 4.340117       1.491900  4.105301       1.687199  5.181899       3.194500  376.9662 89.70459 403.1363 133.9567 -26.17014      161.2182 
1 1 1 -9  20 6  o 577.8056 58.15981 8.924511       1.678207  0.000000       0.000000  8.924511       1.678207  ?        ?        577.8056 58.15981 ?              ?        
1 1 1 -9  20 7  f 325.6020 61.51273 3.289681       1.091784  1.790818       1.777272  4.198122       1.383634  264.4747 98.76524 386.7292 73.35319 -122.2545      123.0255 
1 1 1 -9  20 8  o 596.1245 51.78871 9.456717       1.471944  11.54976       2.527955  8.383118       1.810513  639.3375 79.84131 552.9114 65.98218 86.42609       103.5774 
1 1 1 -9  20 9  o 440.2296 63.55242 5.710542       1.367740  4.700945       1.860555  6.897671       2.017518  393.7683 94.52701 486.6908 84.97225 -92.92249      127.1048 
1 1 1 -9  20 10 o 330.0793 68.19396 3.343323       1.171173  3.430265       2.031641  3.300051       1.433293  328.1031 106.7233 332.0554 84.92229 -3.952209      136.3879 
1 1 1 -9  20 11 f 215.1028 65.36324 0.6470023      1.203218  -1.430307      2.745754  1.140711       1.338586  211.4363 99.53845 218.7692 84.74379 -7.332947      130.7265 
1 1 1 -9  20 12 o 192.4688 59.17643 0.2684917      1.081509  -0.4216579     1.765628  0.6829331      1.368230  185.7247 84.72032 199.2128 82.64301 -13.48811      118.3529 
1 1 1 -9  20 13 o 372.7542 65.76466 4.488041       1.247654  5.637903       1.861383  3.549980       1.681235  419.7031 90.28105 325.8052 95.65194 93.89786       131.5293 
1 1 1 -9  20 14 o 361.6504 71.83906 4.693583       1.365263  4.733820       2.053066  4.661683       1.828017  357.5111 105.9067 365.7896 97.09360 -8.278503      143.6781 
1 1 1 -9  20 15 o 328.6991 107.3263 4.245583       2.053933  4.245583       2.053933  0.000000       0.000000  328.6991 107.3263 ?        ?        ?              ?        
1 1 1 -9  20 16 o 194.5059 64.71844 -0.3526779     1.642332  -0.7355055     2.371741  -0.7621815E-05 2.276408  189.8306 90.29252 199.1811 92.74246 -9.350449      129.4369 
1 1 1 -9  20 17 o 207.2913 68.44913 0.2953569      1.792815  1.866231       2.615252  -1.097355      2.462484  232.5469 104.8911 182.0357 87.97159 50.51120       136.8983 
1 1 1 -9  21 1  o 237.0750 71.08581 1.556903       0.9208133 0.000000       0.000000  1.556903       0.9208133 ?        ?        237.0750 71.08581 ?              ?        
1 1 1 -9  21 2  o 341.6616 141.4465 3.034875       3.996220  0.000000       0.000000  3.034875       3.996220  ?        ?        341.6616 141.4465 ?              ?        
1 1 1 -9  21 3  o 408.6135 85.46613 5.660214       2.135798  7.739650       2.710594  2.255093       3.468631  502.5452 109.6236 314.6818 131.1507 187.8633       170.9323 
1 1 1 -9  21 4  o 463.7110 53.06422 5.746466       1.223327  0.000000       0.000000  5.746466       1.223327  ?        ?        463.7110 53.06422 ?              ?        
1 1 1 -9  21 5  o 181.3253 89.11628 -4.616415      2.842676  0.000000       0.000000  -4.616415      2.842676  ?        ?        181.3253 89.11628 ?              ?        
1 1 1 -9  21 6  o 555.5851 67.44508 8.526381       1.858180  0.000000       0.000000  8.526381       1.858180  ?        ?        555.5851 67.44508 ?              ?        
1 1 1 -9  21 7  o 512.6684 55.86124 7.470000       1.390260  8.049623       2.142409  7.048369       1.827238  526.8724 83.06998 498.4644 74.70804 28.40805       111.7225 
1 1 1 -9  21 8  o 255.9613 72.98144 1.573747       1.424139  1.883453       1.707264  0.8652508      2.582225  260.6328 96.90482 251.2899 109.1541 9.342926       145.9629 
1 1 1 -9  21 9  o 369.7678 65.15507 4.002917       1.194128  5.479205       1.969185  3.144305       1.501756  419.9250 94.86364 319.6106 89.33992 100.3144       130.3101 
1 1 1 -9  21 10 o 234.0962 69.12935 1.023469       1.363237  0.5056579      1.810727  1.700999       2.071245  212.1322 91.77415 256.0601 103.4068 -43.92789      138.2587 
1 1 1 -9  21 11 o 325.3890 76.19023 3.370400       1.327790  4.501878       2.634507  2.985120       1.537321  346.3307 121.4907 304.4474 91.97728 41.88333       152.3805 
1 1 1 -9  21 12 o 263.3937 72.14823 2.224110       1.293049  1.973850       2.630234  2.303869       1.484871  260.9495 111.7204 265.8380 91.32366 -4.888489      144.2965 
1 1 1 -9  21 13 o 295.0288 66.94234 3.199456       1.267459  1.537112       1.989901  4.334257       1.644110  233.2186 98.40097 356.8390 90.78742 -123.6203      133.8847 
1 1 1 -9  21 14 o 257.2545 68.99642 2.326240       1.255431  3.236782       1.869398  1.578218       1.694372  288.4468 102.2303 226.0623 92.68764 62.38457       137.9928 
1 1 1 -9  21 15 o 178.9415 82.33335 -0.5630154E-01 1.716416  -0.5630154E-01 1.716416  0.000000       0.000000  178.9415 82.33335 ?        ?        ?              ?        
1 1 1 -9  21 16 o 184.5400 61.86148 -0.3255537     1.456693  0.3767638      2.490146  -0.6909209     1.796068  203.0444 95.33610 166.0356 78.85684 37.00874       123.7230 
1 1 1 -9  22 1  o 190.4190 67.97349 0.9043661      0.8278776 0.000000       0.000000  0.9043661      0.8278776 ?        ?        190.4190 67.97349 ?              ?        
1 1 1 -9  22 2  o 222.2504 62.64134 1.383643       0.7351196 0.000000       0.000000  1.383643       0.7351196 ?        ?        222.2504 62.64134 ?              ?        
1 1 1 -9  22 3  o 235.9455 62.00578 0.7225500      0.6700618 3.122672       2.068620  0.4412040      0.7082466 315.9211 107.8057 155.9698 61.29280 159.9512       124.0116 
1 1 1 -9  22 4  o 502.0127 64.56235 6.987504       1.602854  0.000000       0.000000  6.987504       1.602854  ?        ?        502.0127 64.56235 ?              ?        
1 1 1 -9  22 5  o 733.6274 76.16378 17.63953       2.489509  19.73911       3.125262  13.99418       4.118035  833.9606 74.81713 633.2943 132.6879 200.6663       152.3276 
1 1 1 -9  22 6  o 267.8576 116.6235 1.291109       2.961462  0.000000       0.000000  1.291109       2.961462  ?        ?        267.8576 116.6235 ?              ?        
1 1 1 -9  22 7  o 390.6104 72.92914 5.770878       1.499358  2.743509       3.279659  6.570793       1.685846  302.7456 126.9558 478.4753 71.81122 -175.7297      145.8583 
1 1 1 -9  22 8  o 683.8162 71.25718 14.29296       1.960611  15.59964       4.128196  13.91238       2.227909  661.8732 127.8255 705.7592 63.01577 -43.88599      142.5144 
1 1 1 -9  22 9  o 220.5280 64.30302 1.052275       1.152425  0.7620858      1.863844  1.231876       1.466305  218.6640 93.84274 222.3919 87.93777 -3.727936      128.6060 
1 1 1 -9  22 10 f 246.9137 69.39034 1.275312       1.479286  3.310877       2.044080  -0.9631029     2.143512  305.7772 107.0285 188.0501 88.34585 117.7271       138.7807 
1 1 1 -9  22 11 o 241.3854 72.74319 1.297365       1.269721  2.920091       2.927063  0.9212386      1.409211  279.9696 118.8008 202.8012 83.98012 77.16833       145.4864 
1 1 1 -9  22 12 o 182.6426 58.07993 0.1844683      1.124158  -0.4427240     1.848269  0.5527148      1.416232  178.5871 83.29167 186.6981 80.96672 -8.111053      116.1599 
1 1 1 -9  22 13 o 324.9672 70.64626 4.010461       1.274792  4.912402       1.941393  3.326786       1.690243  355.4907 102.3364 294.4438 97.42096 61.04697       141.2925 
1 1 1 -9  22 14 o 279.7214 75.53302 3.341420       1.457910  3.661734       2.464009  3.168877       1.808437  279.9883 112.8855 279.4544 100.3883 0.5338440      151.0660 
1 1 1 -9  22 15 o 242.3244 97.33686 2.373877       1.824574  2.373877       1.824574  0.000000       0.000000  242.3244 97.33686 ?        ?        ?              ?        
1 1 1 -9  23 1  o 430.0786 73.34528 6.831728       1.490724  4.353043       3.162947  7.539554       1.690224  343.2376 130.9541 516.9196 66.09957 -173.6820      146.6906 
1 1 1 -9  23 2  o 217.2441 57.64088 1.145938       0.6777539 1.095517       1.852321  1.153732       0.7282536 231.4799 96.10401 203.0083 63.67027 28.47168       115.2818 
1 1 1 -9  23 3  o 228.1176 56.52325 1.458750       0.7485595 1.177847       1.558147  1.543036       0.8535062 225.1691 90.12490 231.0662 68.24232 -5.897079      113.0465 
1 1 1 -9  23 4  o 280.2441 60.96675 2.326758       0.9384743 3.008223       1.494798  1.883385       1.205718  309.2260 90.02399 251.2623 82.24026 57.96365       121.9335 
1 1 1 -9  23 5  o 273.4216 68.78724 2.471891       1.384784  3.402260       1.511815  -2.376745      3.451286  328.6961 88.76540 218.1471 105.1068 110.5490       137.5745 
1 1 1 -9  23 6  o 258.3538 75.56413 1.741153       1.222736  0.6831067      4.110194  1.843881       1.280720  269.1227 125.0784 247.5849 84.82422 21.53775       151.1283 
1 1 1 -9  23 7  o 290.2920 66.73499 2.765641       1.122597  2.615584       1.729691  2.874849       1.475598  282.1149 98.47066 298.4692 90.09862 -16.35431      133.4700 
1 1 1 -9  23 8  o 237.9338 72.04044 0.1864936      1.514948  -1.406185      1.825448  3.710728       2.715424  165.6518 78.91010 310.2157 120.5508 -144.5639      144.0809 
1 1 1 -9  23 9  o 196.4496 64.05436 -0.1470896     1.427110  0.2099155E-01  1.753609  -0.4767192     2.455763  189.0598 85.52669 203.8395 95.37836 -14.77977      128.1087 
1 1 1 -9  23 10 f 296.0642 80.21471 3.517763       2.191878  -2.288656      3.874629  6.250406       2.658076  212.2445 104.2573 379.8839 121.9344 -167.6394      160.4294 
1 1 1 -9  23 11 o 269.1412 79.46003 2.375467       1.404750  5.451793       3.572074  1.812667       1.527853  307.0644 130.7959 231.2180 90.26643 75.84647       158.9201 
1 1 1 -9  23 12 o 232.9188 62.95471 1.585437       1.160261  3.417393       1.700201  -0.1134194E-01 1.587322  293.0908 97.74277 172.7468 79.36958 120.3440       125.9094 
1 1 1 -9  23 13 o 186.0669 56.05505 -0.3224435     1.097495  2.442887       1.617214  -2.683247      1.494252  249.3237 93.99395 122.8100 61.10490 126.5137       112.1101 
1 1 1 -9  23 14 o 238.1142 68.24216 2.330377       1.274868  2.738668       1.909863  2.002239       1.712167  249.4435 99.80126 226.7848 93.10039 22.65869       136.4843 
1 1 1 -9  23 15 o 250.5237 99.05305 3.049594       1.860264  3.049594       1.860264  0.000000       0.000000  250.5237 99.05305 ?        ?        ?              ?        
1 1 1 -9  24 1  o 202.1358 64.53508 0.5182559      0.6874795 0.5603228      3.258815  0.5162966      0.7033076 247.0790 113.5965 157.1926 61.27752 89.88638       129.0702 
1 1 1 -9  24 2  o 116.8918 41.32922 -0.6343602     0.4330190 -1.498922      1.595175  -0.5655843     0.4499128 152.5512 72.97122 81.23237 38.82808 71.31886       82.65845 
1 1 1 -9  24 3  o 411.3150 56.65232 5.351269       1.114054  4.283284       1.714257  6.132092       1.465783  360.8929 93.18090 461.7371 64.46132 -100.8442      113.3046 
1 1 1 -9  24 4  o 199.8796 52.62820 0.9001171      0.8207006 -0.4637456     1.299058  1.806062       1.058751  156.7159 71.92935 243.0434 76.84451 -86.32755      105.2564 
1 1 1 -9  24 5  o 276.0610 80.77876 1.937240       1.305116  1.585918       1.387680  4.628845       3.840980  231.5781 87.11565 320.5439 136.0577 -88.96585      161.5575 
1 1 1 -9  24 6  o 356.2489 71.37534 5.653674       1.615529  0.3490701E-03  4.379689  6.544033       1.738097  250.6683 120.1693 461.8294 77.05249 -211.1611      142.7507 
1 1 1 -9  24 7  o 198.6954 59.96516 0.7402281      1.048292  0.9066244      1.651433  0.6279306      1.356669  207.9965 88.77340 189.3943 80.63850 18.60225       119.9303 
1 1 1 -9  24 8  o 194.5604 59.83006 0.6345740      1.113116  0.2416341E-01  1.772813  1.031832       1.430172  185.6531 84.76712 203.4677 84.45757 -17.81459      119.6601 
1 1 1 -9  24 9  o 265.1595 69.61925 2.638039       1.214804  3.196670       1.985611  2.303856       1.535763  279.0020 104.3537 251.3170 92.18282 27.68495       139.2385 
1 1 1 -9  24 10 o 212.8493 66.80130 1.241062       1.419176  1.198023       1.834995  1.305123       2.238714  208.8342 91.33862 216.8645 97.50340 -8.030273      133.6026 
1 1 1 -9  24 11 o 170.6476 59.99570 -2.778347      1.935685  -1.638559      3.030957  -3.563417      2.515486  186.0508 91.55248 155.2443 77.56339 30.80649       119.9914 
1 1 1 -9  24 12 o 232.4236 71.94578 1.773240       1.448274  4.226953       2.759925  0.8408214      1.701339  272.8065 115.5374 192.0408 85.76641 80.76567       143.8916 
1 1 1 -9  24 13 o 179.5092 61.20630 -0.2584210     1.494865  0.1116912      2.870774  -0.3961102     1.750984  195.1544 94.47980 163.8640 77.83578 31.29047       122.4126 
1 1 1 -9  24 14 o 229.1154 67.23320 2.529639       1.295744  2.974126       1.809752  2.062124       1.856043  243.9783 97.30762 214.2526 92.80323 29.72569       134.4664 
1 1 1 -9  25 1  o 206.6202 70.73465 -1.978988      2.204386  -3.895936      2.887853  0.6974623      3.412318  174.2194 86.39088 239.0211 112.0276 -64.80168      141.4693 
1 1 1 -9  25 2  o 205.1955 52.93346 0.7360129      0.6293055 2.428540       1.370709  0.2839790      0.7083745 267.8886 87.68704 142.5024 59.31935 125.3862       105.8669 
1 1 1 -9  25 3  o 248.0020 76.99540 1.021162       1.247639  0.4731162      1.330312  5.023908       3.595210  182.0524 78.71199 313.9515 132.3540 -131.8991      153.9908 
1 1 1 -9  25 4  o 157.3106 47.92311 0.2049018      0.7205697 -0.8435587     1.294055  0.6760823      0.8675019 144.0331 67.96616 170.5882 67.58034 -26.55511      95.84623 
1 1 1 -9  25 5  o 423.3671 83.51344 6.433736       1.547258  5.670112       1.702919  10.04715       3.704360  413.7036 84.16996 433.0306 144.2685 -19.32703      167.0269 
1 1 1 -9  25 6  o 231.4963 71.67612 1.666240       1.415959  -0.2883455     4.283453  1.906026       1.500300  228.0882 111.5347 234.9044 90.05483 -6.816132      143.3522 
1 1 1 -9  25 7  o 295.8028 71.99976 3.653512       1.320997  3.297414       1.994940  3.931576       1.762856  277.4681 104.4376 314.1375 99.13953 -36.66934      143.9995 
1 1 1 -9  25 8  o 241.1414 65.77755 2.129392       1.227011  3.468726       1.745181  0.8200986      1.725498  287.8504 98.99862 194.4324 86.63727 93.41805       131.5551 
1 1 1 -9  25 9  o 177.5239 57.44949 0.2912879      1.175902  -0.3579659     1.831586  0.7465465      1.533731  169.4897 80.24413 185.5580 82.23536 -16.06825      114.8990 
1 1 1 -9  25 10 f 258.6360 64.82573 2.606070       1.573914  5.404644       1.912737  -3.262285      2.769779  355.5746 101.3332 161.6973 80.87694 193.8774       129.6515 
1 1 1 -9  25 11 o 222.6217 65.38774 2.050445       1.212641  2.211665       1.747933  1.900850       1.683734  227.4603 93.80299 217.7831 91.12203 9.677124       130.7755 
1 1 1 -9  25 12 f 152.9591 51.93900 -0.6631975     1.164252  -0.3790510     1.701424  -0.9134023     1.596575  159.2427 75.94671 146.6755 70.87125 12.56723       103.8780 
1 1 1 -9  25 13 o 176.4752 59.43093 0.2619627      1.327026  -0.5554414     1.606486  2.017820       2.354524  149.0307 71.78210 203.9197 94.73897 -54.88892      118.8619 
1 1 1 -9  26 1  o 297.9970 74.03121 2.455539       0.9054284 6.842928       3.062394  2.035278       0.9478016 347.3890 129.6619 248.6051 71.48611 98.78391       148.0624 
1 1 1 -9  26 2  o 219.7699 61.91495 1.617345       1.289660  2.624017       1.355640  -7.975595      4.184814  266.6115 87.20053 172.9283 87.91992 93.68321       123.8299 
1 1 1 -9  26 3  o 191.1554 52.89725 1.077950       0.7171753 1.086430       1.261521  1.073901       0.8717518 194.4579 79.88187 187.8530 69.36399 6.604904       105.7945 
1 1 1 -9  26 4  o 220.9091 75.31974 0.9369978      2.518653  1.900583       3.587092  0.6752118E-07  3.537257  231.4415 110.3508 210.3768 102.5425 21.06473       150.6395 
1 1 1 -9  26 5  o 214.0231 71.65813 0.4591030      2.234590  3.311890       2.947562  -3.396413      3.426648  249.9629 112.1712 178.0832 89.20297 71.87971       143.3163 
1 1 1 -9  26 6  o 200.6411 58.88339 1.259416       1.029253  1.975879       1.406909  0.4344508      1.509687  226.1196 87.07777 175.1625 79.28731 50.95711       117.7668 
1 1 1 -9  26 7  o 228.1127 65.91103 2.200920       1.207433  2.435048       1.735100  1.981085       1.681307  235.5766 94.81660 220.6488 91.57985 14.92783       131.8221 
1 1 1 -9  26 8  o 229.7173 66.03960 2.324834       1.202526  2.275356       1.647179  2.381299       1.759645  228.8756 92.29028 230.5590 94.48500 -1.683365      132.0792 
1 1 1 -9  26 9  o 216.1378 64.03728 1.840997       1.242206  2.997647       1.757699  0.6868554      1.755793  250.3399 97.07077 181.9356 83.54852 68.40431       128.0746 
1 1 1 -9  26 10 o 216.3435 64.65471 2.050464       1.338122  3.046410       1.711743  0.4854563      2.145748  250.3697 96.14215 182.3173 86.47320 68.05241       129.3094 
1 1 1 -9  26 11 o 300.8205 76.37632 5.021249       1.449428  6.142815       2.341511  4.324516       1.845512  315.0566 114.0876 286.5844 101.5745 28.47226       152.7526 
1 1 1 -9  26 12 o 230.8834 72.96149 3.906636       1.719590  3.054824       2.252062  5.097674       2.663001  215.6794 97.30440 246.0874 108.7445 -30.40805      145.9230 
1 1 1 -9  27 1  o 216.6898 61.28349 1.796170       0.8833064 1.380277       3.078753  1.833474       0.9220708 206.3936 99.40192 226.9860 71.70719 -20.59236      122.5670 
1 1 1 -9  27 2  o 228.7040 53.04175 2.046177       0.7967783 0.9762254      1.355704  2.610782       0.9848168 182.9109 79.27094 274.4970 70.49699 -91.58615      106.0835 
1 1 1 -9  27 3  o 164.9816 49.59901 0.5449453      0.6689978 1.276465       1.224273  0.2335193      0.7988082 191.9647 78.75660 137.9985 60.31291 53.96623       99.19803 
1 1 1 -9  27 4  o 268.7348 61.99466 3.069267       0.9820173 2.828296       1.573374  3.223046       1.256891  248.7298 92.91903 288.7399 82.09389 -40.01013      123.9893 
1 1 1 -9  27 5  o 97.47217 34.22069 -1.398318      0.5964180 -2.103566      1.105142  -1.108506      0.7084418 103.9098 51.83689 91.03457 44.68959 12.87521       68.44138 
1 1 1 -9  27 6  o 199.3342 59.91824 1.449417       1.047080  0.8818775      1.365355  2.259811       1.631534  177.0009 78.05812 221.6676 90.92696 -44.66670      119.8365 
1 1 1 -9  27 7  o 200.7784 60.63163 1.402192       1.124407  2.798702       1.702332  0.3214188      1.497578  237.3512 94.46639 164.2056 76.03210 73.14561       121.2633 
1 1 1 -9  27 8  o 219.0888 64.25365 2.322787       1.187401  2.594091       1.571734  1.962067       1.812325  231.8848 91.24953 206.2929 90.48565 25.59195       128.5073 
1 1 1 -9  27 9  o 205.0960 63.52493 1.954954       1.305179  2.973855       1.834633  0.9108602      1.857176  231.3727 95.81737 178.8192 83.43082 52.55354       127.0499 
1 1 1 -9  27 10 o 132.3484 46.59884 -2.037398      1.250106  -0.8248510     1.710826  -3.426473      1.831132  143.6358 70.29056 121.0610 61.19677 22.57478       93.19768 
1 1 1 -9  28 1  o 190.4202 54.28172 1.319638       0.7775063 1.965356       1.301864  0.9616315      0.9693705 210.6820 83.00205 170.1583 69.97627 40.52374       108.5634 
1 1 1 -9  28 2  o 163.6266 50.00724 0.7574700      0.7376452 0.8250169      1.241072  0.7205739      0.9172429 168.4947 74.35794 158.7584 66.88641 9.736282       100.0145 
1 1 1 -9  28 3  o 253.8306 73.37569 2.302053       1.015815  8.459183       3.044695  1.530848       1.077556  311.5642 125.5306 196.0970 76.01336 115.4672       146.7514 
1 1 1 -9  28 4  o 222.7302 59.61305 2.154544       0.8956639 2.780211       1.479471  1.792572       1.125311  237.9984 89.85902 207.4620 78.35956 30.53647       119.2261 
1 1 1 -9  28 5  o 161.8997 56.51030 -0.6812719E-01 1.195187  0.3961734E-01  1.246650  -1.292901      4.203150  146.1809 68.25401 177.6184 90.08355 -31.43748      113.0206 
1 1 1 -9  28 6  o 197.4159 58.19372 1.551414       0.9255497 2.630181       1.577808  0.9854550      1.142833  224.1761 90.35033 170.6557 73.36794 53.52048       116.3874 
1 1 1 -9  28 7  o 97.25675 34.84507 -1.985692      0.6935344 -3.391497      1.498733  -1.602635      0.7823372 107.9320 54.63968 86.58148 43.25763 21.35054       69.69015 
1 1 1 -9  28 8  o 163.7315 53.01592 0.7555944      1.041354  -0.2910441     1.680253  1.408329       1.326920  147.3530 71.56190 180.1100 78.24095 -32.75697      106.0318 
1 1 1 -9  28 9  o 124.2634 43.38936 -0.9962988     0.9293032 -0.8669791     1.591579  -1.063193      1.144695  133.7688 65.92527 114.7580 56.43052 19.01072       86.77872 
1 1 1 -9  29 1  o 180.2115 52.57614 1.326750       0.7522156 1.660562       1.264140  1.143767       0.9359467 188.5967 78.93695 171.8264 69.46912 16.77034       105.1523 
1 1 1 -9  29 2  o 137.5550 49.29547 -0.4692815     0.7971128 -0.9545400     3.541531  -0.4433869     0.8181043 164.3041 83.26350 110.8060 52.79549 53.49805       98.59094 
1 1 1 -9  29 3  o 183.3704 55.79006 1.567857       0.9478287 1.296646       1.456028  1.767302       1.248614  174.3921 78.49905 192.3487 79.29704 -17.95660      111.5801 
1 1 1 -9  29 4  o 182.0406 56.54274 1.596020       1.001452  1.661147       1.492815  1.542727       1.350402  182.9527 81.10342 181.1285 78.80712 1.824142       113.0855 
1 1 1 -9  29 5  o 161.7109 72.32027 0.8409925      1.171581  -0.7844612     4.463630  0.9612584      1.214149  ?        ?        161.7109 72.32027 ?              ?        
1 1 1 -9  29 6  o 118.1675 40.57610 -0.5955081     0.7511555 -0.8678946     1.226969  -0.4322201     0.9499880 120.2282 58.97884 116.1069 55.74205 4.121300       81.15221 
1 1 1 -9  30 1  o 134.5149 60.46151 0.4934857      0.8601167 0.000000       0.000000  0.4934857      0.8601167 ?        ?        134.5149 60.46151 ?              ?        
1 1 1 -9  30 2  o 144.9139 52.04284 -0.5120176E-01 0.7991011 4.920882       3.128332  -0.3982746     0.8265210 182.3805 90.34456 107.4473 51.68838 74.93322       104.0857 
1 1 1 -9  30 3  o 171.9216 53.13638 1.607883       0.9302012 2.515635       1.297064  0.6466130      1.334752  199.6492 81.38861 144.1941 68.33588 55.45502       106.2728 
1 1 1 -8  0  1  o 745.4113 33.42183 14.24702       1.767271  14.24702       1.767271  14.24702       1.767271  745.4113 47.26560 745.4113 47.26560 0.000000       0.000000 
1 1 1 -8  0  2  o 236.1882 57.53055 1.840043       0.8756379 1.840043       0.8756379 1.840043       0.8756379 236.1882 81.36049 236.1882 81.36049 0.000000       0.000000 
1 1 1 -8  0  3  o 339.9871 45.68294 3.227105       0.9952474 3.227105       0.9952474 3.227105       0.9952474 339.9871 64.60543 339.9871 64.60543 0.000000       0.000000 
1 1 1 -8  0  4  o 3013.212 76.65969 231.5285       16.48991  231.5285       16.48991  231.5285       16.48991  3013.212 108.4132 3013.212 108.4132 0.000000       0.000000 
1 1 1 -8  0  5  o 1579.400 53.28927 63.68584       5.994747  63.68584       5.994747  63.68584       5.994747  1579.400 75.36241 1579.400 75.36241 0.000000       0.000000 
1 1 1 -8  0  6  o 2538.678 47.90211 163.8059       8.692833  163.8059       8.692833  163.8059       8.692833  2538.678 67.74381 2538.678 67.74381 0.000000       0.000000 
1 1 1 -8  0  7  o 1774.288 56.08795 80.49133       7.092708  80.49133       7.092708  80.49133       7.092708  1774.288 79.32034 1774.288 79.32034 0.000000       0.000000 
1 1 1 -8  0  8  o 221.5937 63.38332 1.737256       0.9831120 1.737256       0.9831120 1.737256       0.9831120 221.5937 89.63755 221.5937 89.63755 0.000000       0.000000 
1 1 1 -8  0  9  o 414.3126 46.04269 4.667944       1.265020  4.667944       1.265020  4.667944       1.265020  414.3126 65.11420 414.3126 65.11420 0.000000       0.000000 
1 1 1 -8  0  10 o 993.9023 35.73213 25.24563       2.527736  25.24563       2.527736  25.24563       2.527736  993.9023 50.53286 993.9023 50.53286 0.000000       0.000000 
1 1 1 -8  0  11 o 751.1666 33.50460 14.47943       1.785500  14.47943       1.785500  14.47943       1.785500  751.1666 47.38266 751.1666 47.38266 0.000000       0.000000 
1 1 1 -8  0  12 o 378.3432 88.28851 4.688090       2.124582  4.688090       2.124582  4.688090       2.124582  378.3432 124.8588 378.3432 124.8588 0.000000       0.000000 
1 1 1 -8  0  13 o 604.3346 58.89716 9.849779       2.410558  9.849779       2.410558  9.849779       2.410558  604.3346 83.29316 604.3346 83.29316 0.000000       0.000000 
1 1 1 -8  0  14 o 474.5543 53.44230 6.173093       1.677812  6.173093       1.677812  6.173093       1.677812  474.5543 75.57883 474.5543 75.57883 0.000000       0.000000 
1 1 1 -8  0  15 o 1026.177 34.71703 27.00918       2.537415  27.00918       2.537415  27.00918       2.537415  1026.177 49.09729 1026.177 49.09729 0.000000       0.000000 
1 1 1 -8  0  16 o 409.5060 65.01357 4.941289       1.663891  4.941289       1.663891  4.941289       1.663891  409.5060 91.94306 409.5060 91.94306 0.000000       0.000000 
1 1 1 -8  0  17 o 1862.802 35.90369 89.28312       4.780510  89.28312       4.780510  89.28312       4.780510  1862.802 50.77548 1862.802 50.77548 0.000000       0.000000 
1 1 1 -8  0  18 o 1011.783 59.08561 27.71400       4.213073  27.71400       4.213073  27.71400       4.213073  1011.783 83.55967 1011.783 83.55967 0.000000       0.000000 
1 1 1 -8  0  19 o 613.0162 57.64509 10.53510       2.404977  10.53510       2.404977  10.53510       2.404977  613.0162 81.52247 613.0162 81.52247 0.000000       0.000000 
1 1 1 -8  0  20 o 570.3157 59.37343 9.387548       2.270271  9.387548       2.270271  9.387548       2.270271  570.3157 83.96671 570.3157 83.96671 0.000000       0.000000 
1 1 1 -8  0  21 o 125.5224 62.00976 -1.322868      2.049112  -1.322868      2.049112  -1.322868      2.049112  125.5224 87.69505 125.5224 87.69505 0.000000       0.000000 
1 1 1 -8  0  22 o 201.7003 87.40516 2.057672       2.420738  2.057672       2.420738  2.057672       2.420738  201.7003 123.6096 201.7003 123.6096 0.000000       0.000000 
1 1 1 -8  0  23 o 286.5403 98.74330 4.598322       2.385022  4.598322       2.385022  4.598322       2.385022  286.5403 139.6441 286.5403 139.6441 0.000000       0.000000 
1 1 1 -8  1  1  o 2586.328 59.68730 170.2263       7.371510  170.4529       12.75332  170.1126       9.033363  2585.200 97.44182 2587.455 68.95932 -2.255371      119.3746 
1 1 1 -8  1  2  o 1017.668 33.69080 26.26822       1.735074  25.43834       2.457214  27.09346       2.450330  1001.604 48.45778 1033.733 46.82013 -32.12939      67.38160 
1 1 1 -8  1  3  o 1090.500 33.47961 30.15343       1.847117  28.79202       2.606267  31.52735       2.618209  1065.731 48.30450 1115.269 46.37040 -49.53821      66.95923 
1 1 1 -8  1  4  o 2645.698 49.10874 177.7079       6.575901  182.7419       9.302600  172.6801       9.296858  2683.256 68.47919 2608.141 70.40792 75.11499       98.21748 
1 1 1 -8  1  5  o 2664.923 69.74154 180.8881       9.401435  189.8092       13.31718  172.0246       13.27419  2730.808 96.32467 2599.039 100.8816 131.7688       139.4831 
1 1 1 -8  1  6  o 3242.544 70.12487 269.1158       10.83133  265.6013       18.75656  270.8742       13.26698  3222.268 114.9762 3262.820 80.31477 -40.55225      140.2497 
1 1 1 -8  1  7  o 2650.754 60.63880 179.4632       7.668826  179.5062       9.393278  179.3771       13.28019  2655.145 69.87878 2646.364 99.12222 8.781250       121.2776 
1 1 1 -8  1  8  o 938.2018 33.48067 22.39928       1.584542  24.02731       2.255237  20.81205       2.226795  972.6638 45.79791 903.7397 48.85052 68.92413       66.96135 
1 1 1 -8  1  9  o 1274.961 35.28765 41.29424       2.277447  40.51752       3.219484  42.07224       3.222112  1262.920 50.35318 1287.002 49.45129 -24.08276      70.57530 
1 1 1 -8  1  10 o 1526.823 37.72783 59.20164       2.915472  61.23953       4.156692  57.22831       4.090309  1552.726 52.87731 1500.919 53.82885 51.80652       75.45565 
1 1 1 -8  1  11 o 237.9020 51.45636 1.194235       0.7814792 2.494678       1.125775  -0.1520852E-01 1.085672  306.7182 73.46626 169.0858 72.06757 137.6324       102.9127 
1 1 1 -8  1  12 o 2439.334 57.60859 148.7337       6.793073  140.5286       8.337880  164.9324       11.71525  2345.525 70.21534 2533.144 91.34991 -187.6189      115.2172 
1 1 1 -8  1  13 o 1278.189 48.95094 40.74146       3.008029  45.68491       5.228051  38.29512       3.677756  1331.568 77.89130 1224.809 59.31038 106.7590       97.90187 
1 1 1 -8  1  14 o 784.6124 36.43899 15.83973       1.426502  13.43590       2.008154  18.28825       2.026731  723.3077 55.25718 845.9171 47.51678 -122.6094      72.87798 
1 1 1 -8  1  15 o 865.8135 33.15652 19.20320       1.446461  19.78498       2.023169  18.59487       2.068805  879.5365 45.59186 852.0904 48.15395 27.44611       66.31305 
1 1 1 -8  1  16 o 283.4976 64.60641 1.941868       1.095004  1.066782       1.479680  3.001277       1.628075  235.0599 89.59577 331.9352 93.10504 -96.87532      129.2128 
1 1 1 -8  1  17 o 491.1189 59.43185 6.460328       1.332072  6.300117       1.609534  6.808634       2.373200  487.2260 67.02554 495.0118 98.16394 -7.785828      118.8637 
1 1 1 -8  1  18 o 354.9818 75.76233 3.636401       1.554300  4.757424       2.042866  2.095408       2.395151  408.8351 99.61320 301.1285 114.1794 107.7066       151.5247 
1 1 1 -8  1  19 o 518.5173 58.63987 7.417576       1.481491  6.527986       2.050241  8.389606       2.143135  483.3251 86.98676 553.7095 78.66284 -70.38440      117.2797 
1 1 1 -8  1  20 o 912.0958 49.25237 22.51298       2.257017  22.23787       3.173977  22.79439       3.210140  906.3934 69.70199 917.7982 69.60472 -11.40479      98.50475 
1 1 1 -8  1  21 o 591.9998 58.32457 10.01979       1.698775  9.493552       2.345386  10.60054       2.463853  575.1137 82.95059 608.8857 82.01355 -33.77203      116.6491 
1 1 1 -8  1  22 o 650.3749 58.89821 12.20905       1.885974  13.12729       2.837584  11.48244       2.524179  670.0571 85.60405 630.6926 80.91936 39.36450       117.7964 
1 1 1 -8  1  23 o 259.4527 75.14870 1.356531       1.655587  -0.1857772     2.271419  3.104572       2.418174  213.0273 96.75468 305.8781 115.0124 -92.85077      150.2974 
1 1 1 -8  2  1  o 1300.592 35.26870 42.90351       2.321670  41.71512       3.279746  44.09712       3.286940  1282.507 50.51226 1318.677 49.23450 -36.17053      70.53741 
1 1 1 -8  2  2  o 3028.821 53.87282 233.1147       8.260832  234.1473       11.68310  232.0823       11.68206  3035.554 76.02151 3022.088 76.35347 13.46558       107.7456 
1 1 1 -8  2  3  f 1087.085 33.56192 29.96020       1.846570  29.10709       2.610463  30.81460       2.612426  1071.573 48.11853 1102.597 46.79977 -31.02417      67.12385 
1 1 1 -8  2  4  o 2054.630 50.83805 105.9021       5.015635  103.2613       6.145648  111.1696       8.679506  2017.636 60.16461 2091.623 81.96491 -73.98669      101.6761 
1 1 1 -8  2  5  f 2285.192 63.71986 132.9082       7.367592  127.9183       10.43396  137.8703       10.40480  2242.166 91.91741 2328.219 88.27270 -86.05298      127.4397 
1 1 1 -8  2  6  f 843.1349 45.67452 18.07924       1.942369  0.000000       0.000000  18.07924       1.942369  ?        ?        843.1349 45.67452 ?              ?        
1 1 1 -8  2  7  o 933.2361 40.16756 21.72782       1.795720  20.70844       2.196769  23.78075       3.117472  901.8563 48.28832 964.6159 64.20255 -62.75964      80.33511 
1 1 1 -8  2  8  o 680.4193 34.18386 11.80595       1.168121  10.95480       1.622569  12.72172       1.683034  654.7493 49.31109 706.0894 47.35568 -51.34003      68.36771 
1 1 1 -8  2  9  o 1318.814 36.19944 44.20589       2.415673  42.71332       3.425473  45.68254       3.407156  1296.566 52.18459 1341.063 50.18332 -44.49634      72.39887 
1 1 1 -8  2  10 o 1156.166 32.78201 33.39698       1.893956  37.14178       2.979750  30.85858       2.453275  1209.540 48.66045 1102.792 43.94090 106.7476       65.56403 
1 1 1 -8  2  11 o 3227.858 64.17332 259.9625       9.197153  281.1238       18.35465  252.8680       10.62762  3304.861 109.7007 3150.855 66.62299 154.0061       128.3466 
1 1 1 -8  2  12 o 2997.118 70.10648 238.6582       9.868024  252.4276       12.11755  211.5470       17.00320  3140.606 76.21099 2853.630 117.6927 286.9768       140.2130 
1 1 1 -8  2  13 o 1332.731 50.55080 44.03649       3.107085  49.50280       5.845248  41.88369       3.668245  1384.159 83.80793 1281.302 56.54876 102.8568       101.1016 
1 1 1 -8  2  14 o 398.9440 48.88232 4.208028       0.9488951 4.653944       1.342618  3.763011       1.341264  421.4370 65.01856 376.4510 73.01034 44.98599       97.76463 
1 1 1 -8  2  15 o 544.0184 47.85199 7.698927       1.286131  7.277584       1.743660  8.201705       1.904722  527.7612 66.75158 560.2758 68.58191 -32.51459      95.70398 
1 1 1 -8  2  16 o 1727.846 34.89407 76.45726       3.050387  73.06815       4.232512  80.12019       4.400168  1687.973 49.52781 1767.718 49.16687 -79.74561      69.78814 
1 1 1 -8  2  17 o 333.0682 78.60845 3.058486       1.315443  3.347112       1.403244  0.9661793      3.778138  349.1076 80.96589 317.0288 134.7653 32.07883       157.2169 
1 1 1 -8  2  18 o 690.9937 53.05155 12.81057       1.818262  12.85780       2.468177  12.75451       2.688785  694.2801 71.22834 687.7072 78.64089 6.572876       106.1031 
1 1 1 -8  2  19 o 303.5276 72.13087 2.549098       1.322567  2.948225       1.722252  1.975422       2.064785  322.0559 97.36478 284.9993 106.4498 37.05661       144.2617 
1 1 1 -8  2  20 o 505.3759 60.34342 7.089642       1.473903  6.211973       1.923218  8.338769       2.294386  468.1850 84.23594 542.5668 86.42696 -74.38177      120.6868 
1 1 1 -8  2  21 o 383.1368 73.49736 4.513281       1.492867  5.943399       2.205556  3.304081       2.028061  439.8287 101.1583 326.4449 106.6510 113.3838       146.9947 
1 1 1 -8  2  22 o 247.5084 71.80791 1.274046       1.457840  0.6351506      2.211870  1.764760       1.938470  234.3026 101.3986 260.7142 101.7046 -26.41156      143.6158 
1 1 1 -8  2  23 o 428.0128 117.1782 6.425788       2.613426  0.000000       0.000000  6.425788       2.613426  ?        ?        428.0128 117.1782 ?              ?        
1 1 1 -8  3  1  o 1224.699 34.93323 38.02728       2.165962  37.96381       3.064472  38.09064       3.061796  1223.676 49.46588 1225.723 49.34014 -2.047241      69.86646 
1 1 1 -8  3  2  o 1176.849 34.60495 35.12836       2.060239  33.56561       2.913887  36.69053       2.913348  1150.625 50.02132 1203.074 47.83178 -52.44885      69.20991 
1 1 1 -8  3  3  o 1103.618 48.45722 31.02716       2.693571  31.38129       3.854257  30.68908       3.765850  1109.753 68.94202 1097.484 68.11318 12.26868       96.91444 
1 1 1 -8  3  4  o 431.9734 45.98521 5.341960       0.8740386 6.396902       1.094839  3.488126       1.451348  500.5256 43.64228 363.4213 80.95623 137.1043       91.97043 
1 1 1 -8  3  5  o 544.6380 32.75519 7.573171       0.8942909 7.829142       1.271177  7.322337       1.258357  553.8715 45.74216 535.4045 46.89631 18.46704       65.51038 
1 1 1 -8  3  6  o 2564.800 67.78996 167.2389       8.802429  0.000000       0.000000  167.2389       8.802429  ?        ?        2564.800 67.78996 ?              ?        
1 1 1 -8  3  7  o 340.4777 48.55203 3.016314       0.7801188 2.918049       0.9706745 3.195565       1.311010  333.7456 59.63647 347.2098 76.63348 -13.46417      97.10406 
1 1 1 -8  3  8  o 1773.259 39.50709 79.99443       3.546638  80.89814       5.028565  79.09991       5.002941  1783.251 55.69907 1763.266 56.04332 19.98486       79.01418 
1 1 1 -8  3  9  o 973.7523 32.16963 24.24915       1.555195  23.25354       2.407408  24.96222       2.037373  955.5603 49.93654 991.9443 40.56949 -36.38397      64.33926 
1 1 1 -8  3  10 o 1356.317 33.72198 46.52192       2.276653  47.65515       3.581050  45.75319       2.949434  1369.795 51.63820 1342.838 43.38417 26.95703       67.44397 
1 1 1 -8  3  11 o 1041.246 30.95636 27.54524       1.627936  27.15922       2.377263  27.88612       2.233915  1034.261 45.40079 1048.231 42.09458 -13.96973      61.91273 
1 1 1 -8  3  12 o 639.3350 58.76918 11.69568       1.653742  14.05079       2.086779  7.719297       2.711536  740.6516 56.06726 538.0184 103.3041 202.6332       117.5384 
1 1 1 -8  3  13 o 418.4976 86.69173 3.858158       1.589486  6.345033       3.820204  3.337502       1.747973  483.8579 144.7246 353.1372 95.48091 130.7207       173.3835 
1 1 1 -8  3  14 o 538.6591 44.39071 7.593633       1.168696  7.970042       1.551965  7.100590       1.776210  555.7652 55.91691 521.5529 68.95971 34.21234       88.78143 
1 1 1 -8  3  15 o 1155.537 34.20566 34.18851       1.994233  35.17893       2.734490  33.06327       2.914666  1173.959 46.00866 1137.115 50.62916 36.84399       68.41132 
1 1 1 -8  3  16 o 785.6204 41.29485 15.83605       1.592782  15.26033       2.029534  16.75928       2.570055  768.9044 52.44940 802.3365 63.79749 -33.43213      82.58971 
1 1 1 -8  3  17 o 1257.490 55.22917 42.41648       2.722443  42.76403       3.034735  40.98375       6.161606  1289.676 46.47898 1225.304 100.2035 64.37170       110.4583 
1 1 1 -8  3  18 o 508.5151 66.73937 7.212967       1.647108  5.761415       2.256485  8.868455       2.409790  449.0739 101.6217 567.9562 86.54246 -118.8824      133.4787 
1 1 1 -8  3  19 o 825.5012 44.61389 18.40726       1.796499  19.84421       2.348672  16.38108       2.788947  870.5018 53.55265 780.5007 71.37023 90.00116       89.22778 
1 1 1 -8  3  20 o 1030.632 43.11326 28.81866       2.185098  31.35272       2.885784  25.41340       3.345272  1092.454 52.17674 968.8105 68.64838 123.6436       86.22652 
1 1 1 -8  3  21 o 740.5911 51.95492 15.34223       1.882236  15.38559       2.443475  15.27895       2.951747  749.3250 65.05573 731.8573 81.02474 17.46765       103.9098 
1 1 1 -8  3  22 o 209.8433 71.82719 -1.654933      1.685902  -1.602963      1.846573  -1.915187      4.132296  169.2046 80.24358 250.4820 119.1535 -81.27742      143.6544 
1 1 1 -8  3  23 o 508.1844 95.52651 8.135831       2.367475  0.000000       0.000000  8.135831       2.367475  ?        ?        508.1844 95.52651 ?              ?        
1 1 1 -8  4  1  o 1382.401 44.79789 48.65140       2.934672  48.82384       3.582119  48.29940       5.117766  1387.702 50.98708 1377.099 73.67306 10.60291       89.59577 
1 1 1 -8  4  2  o 1385.409 50.91152 48.83710       3.557530  50.30084       5.102076  47.45207       4.963020  1405.662 71.93493 1365.156 72.06454 40.50598       101.8230 
1 1 1 -8  4  3  o 1795.313 79.94768 81.89443       7.266572  81.89443       7.266572  0.000000       0.000000  1795.313 79.94768 ?        ?        ?              ?        
1 1 1 -8  4  4  o 3090.893 67.37664 243.6683       9.936503  244.6448       12.18118  241.7261       17.17813  3103.063 77.53813 3078.722 110.2102 24.34058       134.7533 
1 1 1 -8  4  5  f 3233.476 69.49813 265.6436       10.74703  269.6597       18.59658  263.6297       13.16869  3247.884 113.0964 3219.068 80.80322 28.81641       138.9963 
1 1 1 -8  4  6  o 2454.474 66.15439 153.2338       8.220550  0.000000       0.000000  153.2338       8.220550  ?        ?        2454.474 66.15439 ?              ?        
1 1 1 -8  4  7  o 900.2187 40.94184 20.52687       1.749627  20.18345       2.135964  21.22716       3.050196  890.1537 47.56861 910.2837 66.64956 -20.13000      81.88367 
1 1 1 -8  4  8  o 1083.342 31.91736 29.69606       1.719680  30.37973       2.711465  29.23601       2.224257  1093.424 48.98146 1073.259 40.93518 20.16479       63.83473 
1 1 1 -8  4  9  o 1309.582 33.02195 43.88359       2.144423  41.72014       3.346607  45.39069       2.793205  1281.570 51.57969 1337.594 41.24723 -56.02368      66.04391 
1 1 1 -8  4  10 o 1651.933 32.48149 69.30241       2.715010  67.25771       3.861700  71.30099       3.817883  1627.735 46.86097 1676.131 44.99155 -48.39661      64.96299 
1 1 1 -8  4  11 o 2299.332 41.14820 132.3935       4.706335  145.7219       7.518703  123.8068       6.034823  2392.133 62.08318 2206.532 54.02201 185.6011       82.29641 
1 1 1 -8  4  12 o 555.5626 53.23578 7.533612       1.400794  6.331111       1.712459  9.965432       2.435248  492.6773 70.67985 618.4479 79.62758 -125.7706      106.4716 
1 1 1 -8  4  13 o 947.2211 56.01582 21.69817       2.229881  26.14772       4.857654  20.51022       2.509960  999.6343 97.21446 894.8079 55.68157 104.8264       112.0316 
1 1 1 -8  4  14 o 555.9265 42.80172 8.067254       1.172146  8.595162       1.587098  7.433774       1.738567  577.4156 54.95433 534.4374 65.63513 42.97827       85.60344 
1 1 1 -8  4  15 o 1181.717 37.13234 36.44169       2.137298  38.52480       2.734408  33.17049       3.426580  1228.698 43.95766 1134.737 59.85788 93.96130       74.26467 
1 1 1 -8  4  16 o 1388.961 37.73969 49.63527       2.580737  49.60718       3.288695  49.68029       4.163568  1391.104 46.69608 1386.819 59.30104 4.284790       75.47939 
1 1 1 -8  4  17 o 714.8884 74.32103 14.12492       1.839043  14.10375       1.999101  14.24142       4.690588  736.5255 53.98833 693.2514 138.4909 43.27411       148.6421 
1 1 1 -8  4  18 o 1588.235 42.99676 66.03996       3.452234  61.48141       4.838396  70.76740       4.927207  1530.987 62.42324 1645.483 59.14578 -114.4962      85.99352 
1 1 1 -8  4  19 o 601.1876 50.94785 9.528771       1.496639  8.309956       1.923489  11.39882       2.382580  554.2684 70.11477 648.1068 73.93683 -93.83832      101.8957 
1 1 1 -8  4  20 o 314.2817 71.27538 2.939680       1.341273  3.729901       1.753065  1.824007       2.083015  354.6327 95.50867 273.9308 105.8245 80.70197       142.5508 
1 1 1 -8  4  21 o 341.3188 69.96952 3.274223       1.350120  1.707583       1.742381  5.628348       2.135862  256.1394 97.32156 426.4984 100.5557 -170.3590      139.9390 
1 1 1 -8  4  22 o 250.7917 78.62025 0.3427522      1.576086  -0.1909935     1.754134  2.578813       3.590355  193.5662 86.72102 308.0171 131.1642 -114.4509      157.2405 
1 1 1 -8  4  23 o 313.6880 111.3515 3.394371       2.218700  0.000000       0.000000  3.394371       2.218700  ?        ?        313.6880 111.3515 ?              ?        
1 1 1 -8  5  1  o 1135.533 42.64461 33.29305       2.291545  34.34204       2.817822  31.24450       3.937778  1163.961 47.81800 1107.104 70.62358 56.85742       85.28922 
1 1 1 -8  5  2  o 1768.022 47.28884 79.11079       4.006974  78.63383       4.921354  80.04884       6.901648  1760.891 55.20375 1775.153 76.79507 -14.26245      94.57768 
1 1 1 -8  5  3  o 1190.570 47.76313 35.93154       2.878931  35.93154       2.878931  0.000000       0.000000  1190.570 47.76313 ?        ?        ?              ?        
1 1 1 -8  5  4  o 2677.592 70.55199 182.8211       9.557063  191.2184       13.53992  174.4836       13.49167  2739.284 97.63271 2615.900 101.8734 123.3840       141.1040 
1 1 1 -8  5  5  o 2603.549 68.64055 172.3432       9.047533  0.000000       0.000000  172.3432       9.047533  ?        ?        2603.549 68.64055 ?              ?        
1 1 1 -8  5  6  o 2290.048 56.65068 136.0787       6.129809  127.5367       10.63235  140.3314       7.502091  2231.702 94.10430 2348.394 63.09976 -116.6917      113.3014 
1 1 1 -8  5  7  o 1662.343 46.52108 69.74641       3.709156  68.30560       4.544498  72.62147       6.419569  1638.669 54.77861 1686.017 75.20737 -47.34766      93.04217 
1 1 1 -8  5  8  o 1630.328 43.83313 66.01142       3.175666  71.16859       6.330311  64.27708       3.671016  1669.663 74.88806 1590.994 45.57578 78.66919       87.66626 
1 1 1 -8  5  9  o 1432.050 34.53188 52.24200       2.449016  51.23730       3.870543  52.91278       3.162588  1420.058 53.83716 1444.042 43.25925 -23.98462      69.06376 
1 1 1 -8  5  10 o 2128.395 41.59919 116.0496       4.367546  111.3024       6.935797  119.1689       5.622270  2090.879 65.52149 2165.911 51.27285 -75.03149      83.19839 
1 1 1 -8  5  11 o 764.4561 34.57785 14.75849       1.291662  15.54381       2.121512  14.29592       1.628229  779.8289 54.06955 749.0832 43.11607 30.74567       69.15571 
1 1 1 -8  5  12 o 1048.608 48.25359 28.42704       2.374441  28.77035       2.890683  27.71494       4.163233  1061.266 53.97930 1035.951 79.99920 25.31494       96.50719 
1 1 1 -8  5  13 o 992.3315 54.57545 26.04507       2.313019  24.36913       4.627240  26.60333       2.670614  964.5754 96.03168 1020.088 51.88290 -55.51221      109.1509 
1 1 1 -8  5  14 o 1165.308 36.15205 35.02229       2.093678  36.73559       2.752944  32.67181       3.224461  1200.541 45.29358 1130.076 56.35933 70.46509       72.30410 
1 1 1 -8  5  15 f 552.3744 50.51234 8.275735       1.281470  8.832211       1.589566  7.242643       2.165833  584.3896 54.34985 520.3593 85.15913 64.03033       101.0247 
1 1 1 -8  5  16 o 1548.100 45.06517 60.04445       3.157848  57.52202       3.680342  67.08455       6.148484  1496.554 48.57492 1599.646 75.92073 -103.0920      90.13035 
1 1 1 -8  5  17 o 449.7322 79.25156 6.474966       1.551970  6.992995       1.706027  3.989041       3.737256  512.5540 67.37762 386.9103 143.4695 125.6437       158.5031 
1 1 1 -8  5  18 o 309.2034 72.99467 2.569450       1.323511  2.309501       1.717844  2.949126       2.076091  292.8304 98.24921 325.5765 107.9814 -32.74612      145.9893 
1 1 1 -8  5  19 o 259.1051 71.31535 1.399168       1.303678  1.204936       1.632354  1.741253       2.166309  240.6691 93.48306 277.5410 107.7239 -36.87190      142.6307 
1 1 1 -8  5  20 o 251.1119 71.05585 1.312758       1.322625  1.308620       1.632957  1.320652       2.255157  241.0664 93.53838 261.1575 106.9874 -20.09111      142.1117 
1 1 1 -8  5  21 o 223.3154 69.70543 0.1862566      1.549222  -1.491228      2.769539  0.9501873      1.868982  214.4005 100.6279 232.2304 96.48534 -17.82983      139.4109 
1 1 1 -8  5  22 o 401.0098 100.1638 6.569970       2.764385  8.019510       3.396211  3.724153       4.758641  464.8990 135.7958 337.1205 147.2774 127.7786       200.3276 
1 1 1 -8  6  1  o 1979.980 51.09000 100.7669       4.813774  103.2034       5.916780  95.99675       8.278872  2016.986 57.94272 1942.974 84.16290 74.01270       102.1800 
1 1 1 -8  6  2  o 1896.956 49.54034 91.07755       4.502563  90.44102       5.527213  92.33320       7.763059  1888.112 57.82222 1905.800 80.45850 -17.68774      99.08067 
1 1 1 -8  6  3  o 3325.757 58.05664 281.4144       9.771865  272.7906       13.81305  290.0542       13.82596  3274.499 83.32228 3377.016 80.86837 -102.5164      116.1133 
1 1 1 -8  6  4  o 3541.763 74.35858 318.0763       12.62465  328.8322       21.83186  312.6728       15.47427  3580.953 120.4227 3502.573 87.26487 78.37988       148.7172 
1 1 1 -8  6  5  o 988.7485 47.42832 24.94822       2.357376  24.12329       3.239821  25.87636       3.436535  971.4463 66.27032 1006.051 67.86771 -34.60437      94.85664 
1 1 1 -8  6  6  o 1671.650 54.89002 71.39835       4.644876  70.02867       6.556335  72.77855       6.581430  1655.434 78.22861 1687.867 77.01910 -32.43311      109.7800 
1 1 1 -8  6  7  o 377.9246 55.57573 3.699329       0.9773759 4.026875       1.716656  3.542226       1.188883  388.6653 89.13956 367.1838 66.39868 21.48148       111.1515 
1 1 1 -8  6  8  o 1339.980 42.80753 47.78770       2.484323  41.76150       4.847253  49.93459       2.893208  1277.110 75.30251 1402.849 40.73663 -125.7385      85.61507 
1 1 1 -8  6  9  o 2443.849 38.38997 151.8415       4.747413  147.6010       6.751195  155.9894       6.677129  2409.897 55.33482 2477.800 53.22795 -67.90308      76.77993 
1 1 1 -8  6  10 o 264.5452 54.77763 1.797800       0.7563590 1.840354       1.281444  1.775048       0.9369832 269.5683 84.44469 259.5222 69.79578 10.04611       109.5553 
1 1 1 -8  6  11 o 683.7430 35.51256 11.88398       1.197063  12.30518       1.901371  11.60740       1.540748  693.1475 54.62499 674.3384 45.39468 18.80908       71.02512 
1 1 1 -8  6  12 o 2357.612 47.51769 142.3378       5.662360  132.3002       7.969974  152.5682       8.046141  2272.832 69.26373 2442.392 65.07118 -169.5593      95.03538 
1 1 1 -8  6  13 o 1571.430 56.21062 63.08698       4.471952  0.000000       0.000000  63.08698       4.471952  ?        ?        1571.430 56.21062 ?              ?        
1 1 1 -8  6  14 o 890.7252 36.09146 20.13702       1.609146  18.76005       2.127091  21.97948       2.460494  855.7330 49.30677 925.7173 52.71827 -69.98425      72.18291 
1 1 1 -8  6  15 o 1093.631 37.67008 31.28446       2.037197  34.36905       2.714930  27.30964       3.081898  1159.125 46.26416 1028.137 59.46232 130.9883       75.34016 
1 1 1 -8  6  16 o 909.6207 39.35958 21.05710       1.737603  20.04366       2.160905  22.91126       2.922885  881.6569 48.59965 937.5846 61.92561 -55.92767      78.71917 
1 1 1 -8  6  17 f 749.0353 55.74111 14.64643       2.098654  14.64643       2.098654  0.000000       0.000000  749.0353 55.74111 ?        ?        ?              ?        
1 1 1 -8  6  18 o 561.6511 70.02528 9.363179       1.854611  6.229568       2.732518  12.03964       2.525347  456.6257 117.5133 666.6765 76.18905 -210.0508      140.0506 
1 1 1 -8  6  19 o 668.6218 66.46991 12.61668       2.153253  13.24288       3.376701  12.18755       2.795338  676.6393 101.7189 660.6043 85.59360 16.03497       132.9398 
1 1 1 -8  6  20 o 451.9329 71.99059 6.291130       1.571660  6.566148       1.986484  5.830881       2.569803  476.8060 85.43016 427.0598 115.8977 49.74612       143.9812 
1 1 1 -8  6  21 o 555.3923 67.18587 8.282240       1.715198  6.279076       2.043340  13.06044       3.155838  456.0444 91.68051 654.7402 98.23669 -198.6958      134.3717 
1 1 1 -8  6  22 o 206.7901 67.94721 -0.4208294     1.506130  0.3117942      1.640391  -4.354749      3.801190  200.6149 87.07066 212.9654 104.3360 -12.35052      135.8944 
1 1 1 -8  7  1  o 1144.444 34.61340 33.20695       2.004476  31.74766       2.809134  34.72074       2.861093  1118.807 49.59451 1170.080 48.29838 -51.27319      69.22679 
1 1 1 -8  7  2  o 2307.494 45.78870 135.2643       5.349121  135.3417       7.564463  135.1868       7.565137  2308.157 64.73350 2306.830 64.77651 1.326904       91.57741 
1 1 1 -8  7  3  f 1145.528 70.98764 33.50579       4.096638  0.000000       0.000000  33.50579       4.096638  ?        ?        1145.528 70.98764 ?              ?        
1 1 1 -8  7  4  o 2318.509 54.71149 138.1748       6.045032  133.6371       10.40451  140.4871       7.427217  2286.663 89.87435 2350.355 62.41788 -63.69189      109.4230 
1 1 1 -8  7  5  o 3900.374 64.51450 389.9996       12.73316  375.9419       18.00037  404.0794       18.01444  3829.146 92.85297 3971.602 89.59248 -142.4558      129.0290 
1 1 1 -8  7  6  o 1548.708 47.19556 62.27671       3.441135  58.36185       5.979780  64.21503       4.207647  1508.425 78.57469 1588.990 52.30395 -80.56506      94.39113 
1 1 1 -8  7  7  o 1608.626 37.94294 65.81538       3.087578  62.42128       4.344208  69.28004       4.389128  1566.555 54.77485 1650.697 52.52030 -84.14172      75.88587 
1 1 1 -8  7  8  o 2108.283 52.52912 111.6042       5.335792  107.8263       6.550892  119.0513       9.197353  2058.335 62.86383 2158.231 84.17465 -99.89624      105.0582 
1 1 1 -8  7  9  o 3088.005 67.01955 248.2896       9.814453  256.2590       12.05769  232.6442       16.89455  3169.557 75.14188 3006.453 110.9963 163.1038       134.0391 
1 1 1 -8  7  10 o 4173.151 82.46765 453.5450       15.00895  444.1911       29.96914  456.6765       17.34026  4121.137 143.6394 4225.166 81.06402 -104.0288      164.9353 
1 1 1 -8  7  11 o 1158.909 36.72645 34.19058       2.154747  33.80415       3.035039  34.58331       3.059656  1152.296 52.02557 1165.522 51.85237 -13.22620      73.45290 
1 1 1 -8  7  12 o 1124.187 44.42004 31.47042       2.438351  28.86840       3.036472  36.19478       4.091533  1061.892 56.68634 1186.481 68.40482 -124.5890      88.84009 
1 1 1 -8  7  13 o 1947.020 60.58534 97.07089       5.972026  0.000000       0.000000  97.07089       5.972026  ?        ?        1947.020 60.58534 ?              ?        
1 1 1 -8  7  14 o 1211.423 36.21360 37.67551       2.192378  38.46252       2.896065  36.61906       3.355379  1227.371 46.60677 1195.476 55.43922 31.89478       72.42719 
1 1 1 -8  7  15 o 455.6123 67.54974 5.805929       1.442407  5.271394       2.464807  6.084325       1.778798  433.8015 111.5917 477.4231 76.15219 -43.62158      135.0995 
1 1 1 -8  7  16 o 339.7937 72.85078 3.306912       1.422822  1.789739       2.359584  4.173752       1.783559  292.4850 112.7318 387.1024 92.30645 -94.61743      145.7016 
1 1 1 -8  7  17 o 652.9630 76.23808 11.67226       2.026125  11.32158       2.292504  12.92366       4.330652  651.0197 70.69168 654.9063 135.0987 -3.886597      152.4762 
1 1 1 -8  7  18 o 496.9129 74.10471 7.923573       1.808451  10.33017       2.325894  4.244422       2.875821  616.0350 76.20156 377.7908 127.1195 238.2442       148.2094 
1 1 1 -8  7  19 o 341.0393 71.93296 3.364063       1.327056  2.860968       1.740967  4.061753       2.050202  313.9840 98.43916 368.0946 104.9149 -54.11060      143.8659 
1 1 1 -8  7  20 o 637.5826 52.15469 11.36842       1.611575  11.37306       2.076971  11.36140       2.554712  644.6937 64.50008 630.4716 81.97675 14.22217       104.3094 
1 1 1 -8  7  21 o 274.1422 72.60245 2.150060       1.385603  2.670333       1.862268  1.504856       2.073837  294.3867 102.2074 253.8978 103.1412 40.48895       145.2049 
1 1 1 -8  7  22 o 211.4022 72.71149 -0.8275086     1.498369  -0.5708668     1.569487  -3.468414      5.034663  172.8617 79.23763 249.9427 121.9395 -77.08105      145.4230 
1 1 1 -8  8  1  o 1984.239 51.15850 101.4389       4.838698  96.63031       8.291380  103.9223       5.958590  1946.119 84.15379 2022.358 58.19717 -76.23816      102.3170 
1 1 1 -8  8  2  o 1595.637 45.41583 63.76954       3.500286  68.04267       6.002417  61.56765       4.308748  1634.457 72.53855 1556.816 54.66762 77.64160       90.83166 
1 1 1 -8  8  3  o 1536.117 44.96999 60.78905       3.304746  57.75172       5.617978  62.39618       4.086577  1504.996 73.73283 1567.237 51.50406 -62.24023      89.93997 
1 1 1 -8  8  4  o 2348.469 56.65933 143.8836       6.299409  132.5838       10.83107  149.6598       7.743865  2272.944 94.12367 2423.994 63.10192 -151.0496      113.3187 
1 1 1 -8  8  5  o 1626.718 37.29045 67.30975       3.071003  67.08530       4.323327  67.53835       4.363053  1624.003 52.58326 1629.432 52.88963 -5.428711      74.58091 
1 1 1 -8  8  6  f 1123.050 41.71574 31.50170       2.220321  34.11914       3.946320  30.28938       2.685737  1154.448 67.81808 1091.652 48.59545 62.79626       83.43147 
1 1 1 -8  8  7  o 840.5900 34.93793 18.06605       1.474310  19.76591       2.077069  16.34001       2.093002  881.0054 46.73526 800.1745 51.94661 80.83093       69.87585 
1 1 1 -8  8  8  o 673.2631 33.36253 11.25287       1.085739  12.67335       1.851154  10.50796       1.340526  704.3234 52.28741 642.2028 41.45189 62.12061       66.72505 
1 1 1 -8  8  9  o 1455.575 34.71327 53.66802       2.498074  54.53761       4.002939  53.11333       3.197017  1464.664 53.98305 1446.486 43.65632 18.17810       69.42654 
1 1 1 -8  8  10 o 784.3038 35.73098 16.05451       1.355000  14.35182       2.178833  17.12832       1.730298  748.4192 57.95549 820.1884 41.80876 -71.76923      71.46196 
1 1 1 -8  8  11 o 1741.250 57.40923 77.35779       5.060884  77.35779       5.060884  0.000000       0.000000  1741.250 57.40923 ?        ?        ?              ?        
1 1 1 -8  8  12 o 2092.620 61.78158 113.3102       6.538418  106.5986       9.179429  120.2222       9.315512  2028.665 89.37617 2156.575 85.32149 -127.9105      123.5632 
1 1 1 -8  8  13 f 1215.420 51.73220 37.74029       3.183252  0.000000       0.000000  37.74029       3.183252  ?        ?        1215.420 51.73220 ?              ?        
1 1 1 -8  8  14 o 1669.827 51.11187 72.39807       4.017281  72.05319       7.085162  72.56148       4.877008  1658.857 84.64567 1680.797 57.31320 -21.93970      102.2237 
1 1 1 -8  8  15 o 1141.645 46.32510 34.01961       2.375096  34.14025       2.793936  33.70527       4.509922  1153.313 47.85042 1129.977 79.33724 23.33545       92.65021 
1 1 1 -8  8  16 o 666.2474 49.90513 11.72117       1.561169  11.58334       1.913211  11.99580       2.700701  665.6052 57.33519 666.8896 81.69923 -1.284363      99.81026 
1 1 1 -8  8  17 o 1041.419 62.09484 31.38744       2.366203  32.46168       2.620924  26.65276       5.502356  1120.914 46.18475 961.9245 115.2825 158.9893       124.1897 
1 1 1 -8  8  18 o 653.5693 62.73982 11.92968       1.971394  11.89747       2.535094  11.97895       3.135626  659.6058 77.38513 647.5328 98.77592 12.07300       125.4796 
1 1 1 -8  8  19 o 410.3737 66.89232 4.931262       1.339195  4.815190       1.722206  5.108798       2.129918  408.9145 85.92046 411.8330 102.5476 -2.918488      133.7846 
1 1 1 -8  8  20 o 256.8478 68.79486 1.004071       1.261546  -0.2428106     1.546349  3.485526       2.181464  182.7671 81.68536 330.9286 110.7178 -148.1615      137.5897 
1 1 1 -8  8  21 f 200.1112 63.63302 -0.1923397     1.351211  0.4729867      1.650167  -1.546131      2.353892  206.4017 88.43227 193.8206 91.52257 12.58110       127.2660 
1 1 1 -8  8  22 o 272.2510 85.65508 1.494254       1.595124  1.403148       1.670334  2.438137       5.376346  235.3171 93.60034 309.1848 143.4787 -73.86777      171.3102 
1 1 1 -8  9  1  o 203.8013 47.64175 0.9739659      0.5923920 0.5477747      0.8511047 1.374454       0.8250406 177.5948 67.88900 230.0078 66.85828 -52.41293      95.28350 
1 1 1 -8  9  2  o 832.5149 40.12243 17.62778       1.643362  18.13183       2.629931  17.30489       2.104906  841.4655 62.17428 823.5642 50.73061 17.90131       80.24485 
1 1 1 -8  9  3  o 2478.776 58.38448 158.6407       6.894461  153.5243       11.86944  161.2460       8.469804  2443.299 95.95552 2514.253 66.53968 -70.95410      116.7690 
1 1 1 -8  9  4  o 1184.840 34.16126 35.69006       2.049061  35.92630       2.889682  35.45115       2.906006  1188.815 48.01226 1180.865 48.60854 7.949707       68.32252 
1 1 1 -8  9  5  o 1297.258 35.11401 42.76191       2.304401  40.46484       3.219188  45.17598       3.300150  1261.463 50.40670 1333.053 48.89930 -71.59009      70.22803 
1 1 1 -8  9  6  o 256.9030 59.39434 1.254016       0.7703252 2.532966       1.671576  0.9091674      0.8679872 313.7368 96.14727 200.0691 69.75999 113.6678       118.7887 
1 1 1 -8  9  7  o 700.7999 36.32500 12.66996       1.265562  10.93715       1.828154  14.26453       1.753715  653.5145 55.78978 748.0853 46.53518 -94.57074      72.65000 
1 1 1 -8  9  8  o 1068.251 33.50087 29.55225       1.741094  26.89154       2.801790  31.22610       2.222269  1027.105 54.07162 1109.398 39.56630 -82.29358      67.00173 
1 1 1 -8  9  9  o 1368.348 37.55421 47.63392       2.600444  47.23201       3.724204  48.01632       3.632672  1362.605 53.98581 1374.090 52.21885 -11.48450      75.10843 
1 1 1 -8  9  10 o 1410.835 35.22234 51.72347       2.436844  45.84042       3.834347  55.70964       3.156224  1341.032 56.47661 1480.637 42.10518 -139.6052      70.44468 
1 1 1 -8  9  11 o 535.6230 63.91948 7.239840       1.626817  10.83283       2.602310  4.934905       2.084300  643.4977 81.72086 427.7484 98.30820 215.7492       127.8390 
1 1 1 -8  9  12 o 966.2003 79.96513 24.26618       3.876416  24.26618       3.876416  0.000000       0.000000  966.2003 79.96513 ?        ?        ?              ?        
1 1 1 -8  9  13 o 1693.219 56.38250 73.46709       4.833269  73.46709       4.833269  0.000000       0.000000  1693.219 56.38250 ?        ?        ?              ?        
1 1 1 -8  9  14 o 847.2905 45.80860 18.38033       1.870531  17.68644       2.319148  19.67202       3.164210  827.5363 55.67897 867.0447 72.75687 -39.50842      91.61720 
1 1 1 -8  9  15 o 276.3376 69.82187 1.794252       1.230089  2.232262       1.870939  1.460752       1.632545  296.3183 102.4696 256.3568 94.87019 39.96155       139.6437 
1 1 1 -8  9  16 o 1376.590 42.13394 49.25036       2.929338  52.24739       4.330884  46.72298       3.977107  1414.419 60.48044 1338.761 58.67873 75.65796       84.26788 
1 1 1 -8  9  17 o 450.1576 76.97393 7.256624       1.574564  8.168968       1.725547  2.716963       3.849098  553.6945 62.65922 346.6207 140.6192 207.0738       153.9479 
1 1 1 -8  9  18 o 340.1283 69.95551 3.040047       1.394692  1.210484       1.843536  5.488554       2.132694  247.7090 98.39527 432.5476 99.46591 -184.8386      139.9110 
1 1 1 -8  9  19 o 599.6045 55.26680 10.24676       1.502151  10.57094       1.832042  9.581711       2.624027  627.1931 58.36658 572.0159 93.86702 55.17712       110.5336 
1 1 1 -8  9  20 o 238.4589 67.36005 1.258386       1.223070  0.9441945      1.631229  1.661818       1.848426  222.3845 91.03466 254.5333 99.30859 -32.14885      134.7201 
1 1 1 -8  9  21 o 279.0259 64.97594 2.241925       1.260063  3.891093       1.666086  0.3797010E-01  1.926045  352.6747 92.25578 205.3772 91.52249 147.2974       129.9519 
1 1 1 -8  9  22 o 258.0889 75.63249 1.871393       1.517621  2.397347       1.610604  -2.293191      4.532113  273.7953 95.05122 242.3826 117.6706 31.41269       151.2650 
1 1 1 -8  10 1  o 1653.057 48.05048 69.75973       3.744773  69.72366       4.535538  69.83698       6.637544  1655.021 54.13044 1651.092 79.40586 3.929565       96.10097 
1 1 1 -8  10 2  o 1359.115 44.47322 46.65918       2.835415  45.79554       3.412154  48.58617       5.096828  1341.800 50.22930 1376.430 73.40630 -34.62939      88.94643 
1 1 1 -8  10 3  o 635.5530 33.64628 10.33265       1.073640  10.50748       1.493421  10.14563       1.544582  641.3179 46.30796 629.7881 48.82481 11.52979       67.29256 
1 1 1 -8  10 4  o 1119.897 34.10378 31.88375       1.933482  31.66214       2.742358  32.10279       2.726426  1115.997 48.53749 1123.797 47.92058 -7.799683      68.20755 
1 1 1 -8  10 5  f 1987.628 41.56114 100.5649       4.182088  100.4186       5.934958  100.7092       5.893985  1986.146 59.02323 1989.110 58.52840 -2.964355      83.12228 
1 1 1 -8  10 6  o 2154.838 53.98999 118.3818       5.533682  119.0685       9.655761  118.0459       6.752609  2156.323 88.44820 2153.353 61.94022 2.970215       107.9800 
1 1 1 -8  10 7  o 1019.121 43.25045 26.40844       2.066837  26.75235       3.680097  26.24998       2.498016  1021.692 71.59929 1016.550 48.53810 5.141724       86.50089 
1 1 1 -8  10 8  o 1529.555 46.50797 61.43598       3.020788  56.53832       6.153962  62.99070       3.467255  1484.081 82.22681 1575.030 43.48238 -90.94849      93.01595 
1 1 1 -8  10 9  o 786.4388 48.59774 17.33446       1.513130  13.53226       3.163290  18.46256       1.723040  720.2430 88.62090 852.6348 39.91616 -132.3918      97.19549 
1 1 1 -8  10 10 o 939.5554 44.70517 22.65326       1.985093  22.61549       2.424325  22.73011       3.458071  940.7042 51.09591 938.4067 73.37177 2.297546       89.41034 
1 1 1 -8  10 11 o 1966.060 51.89232 98.61031       4.881801  96.88992       5.973691  102.0693       8.470490  1945.513 60.64920 1986.608 84.21952 -41.09509      103.7846 
1 1 1 -8  10 12 o 1040.554 47.70273 28.08195       2.309774  27.51403       4.119883  28.34228       2.789383  1028.092 79.77806 1053.015 52.32267 -24.92261      95.40546 
1 1 1 -8  10 13 o 1593.525 39.28266 65.16105       3.168755  63.85055       4.473395  66.48084       4.489239  1577.262 56.02085 1609.789 55.08334 -32.52625      78.56532 
1 1 1 -8  10 14 o 804.2032 38.74509 16.76098       1.555454  19.42384       2.231904  14.24626       2.168936  867.8351 51.02342 740.5712 58.32099 127.2639       77.49018 
1 1 1 -8  10 15 o 541.6382 46.19869 7.799532       1.235067  8.264854       1.709161  7.291023       1.786716  560.2509 61.25638 523.0256 69.17321 37.22528       92.39738 
1 1 1 -8  10 16 o 629.1727 59.45898 11.28176       1.568240  11.80586       1.833650  9.854168       3.026283  671.4550 54.40843 586.8906 105.7412 84.56439       118.9180 
1 1 1 -8  10 17 o 354.1305 65.85200 4.215018       1.344357  5.543814       1.566056  0.4930744      2.620976  450.6465 70.99072 257.6144 110.9336 193.0321       131.7040 
1 1 1 -8  10 18 o 339.9344 74.00506 3.418038       1.450155  2.305537       2.065781  4.498903       2.036197  292.4383 106.9663 387.4305 102.2995 -94.99216      148.0101 
1 1 1 -8  10 19 o 478.1037 72.09959 7.144945       1.646771  7.549025       2.081262  6.468434       2.692962  511.1848 83.28829 445.0226 117.7135 66.16217       144.1992 
1 1 1 -8  10 20 o 408.2816 70.67220 5.962069       1.494680  7.143773       1.797838  3.317179       2.689677  499.1865 73.32355 317.3768 120.8383 181.8097       141.3444 
1 1 1 -8  10 21 o 275.8647 73.85014 2.291143       1.381320  2.188051       1.732256  2.471166       2.289089  268.4683 97.98901 283.2612 110.5148 -14.79288      147.7003 
1 1 1 -8  10 22 o 377.6137 69.45291 5.187313       1.468223  6.842418       1.921534  2.865409       2.275923  468.9377 84.02355 286.2897 110.6113 182.6480       138.9058 
1 1 1 -8  11 1  o 1862.687 52.52773 88.91303       4.616682  89.20897       5.601664  88.28635       8.151595  1871.068 59.13490 1854.307 86.83152 16.76135       105.0555 
1 1 1 -8  11 2  o 1529.050 35.58778 59.48388       2.753507  61.42459       3.883967  57.52290       3.904204  1554.270 49.35891 1503.831 51.28021 50.43872       71.17557 
1 1 1 -8  11 3  o 508.0025 38.33944 6.622573       0.9691095 6.368809       1.323783  6.915638       1.422602  497.5520 53.38700 518.4529 55.04070 -20.90094      76.67888 
1 1 1 -8  11 4  o 1460.436 33.12234 53.40205       2.403858  58.13981       3.846446  50.36574       3.079264  1512.434 50.23421 1408.437 43.18429 103.9968       66.24468 
1 1 1 -8  11 5  o 1130.565 39.07001 32.02913       1.951114  33.67278       3.881465  31.47338       2.256991  1147.454 67.10776 1113.677 40.03013 33.77710       78.14002 
1 1 1 -8  11 6  o 763.5553 43.53843 13.80473       1.540410  17.93772       2.923153  12.21577       1.812493  835.8262 69.71611 691.2844 52.17319 144.5419       87.07685 
1 1 1 -8  11 7  o 260.1970 62.76711 1.631747       0.9855052 0.9530708      1.729635  1.957989       1.199203  245.9566 96.03625 274.4375 80.84478 -28.48088      125.5342 
1 1 1 -8  11 8  o 153.7247 45.19339 -0.8402599E-01 0.6340391 -0.9454728     0.9520295 0.6026070      0.8499600 127.0144 59.41673 180.4349 68.11330 -53.42053      90.38678 
1 1 1 -8  11 9  o 1140.637 35.45322 33.15106       2.044263  32.90061       2.967131  33.37736       2.820489  1136.330 51.57613 1144.944 48.65827 -8.614136      70.90645 
1 1 1 -8  11 10 o 961.5947 36.28038 23.68656       1.757334  22.42818       2.532600  24.85503       2.440452  935.7809 53.68201 987.4085 48.81910 -51.62756      72.56075 
1 1 1 -8  11 11 o 1407.845 46.50120 50.82754       3.116254  50.51599       3.813697  51.45353       5.405795  1405.775 53.58544 1409.915 76.01347 -4.140869      93.00240 
1 1 1 -8  11 12 o 1948.608 53.08683 99.18900       4.891801  95.80203       8.525357  100.8515       5.972898  1915.464 87.91336 1981.752 59.53224 -66.28735      106.1737 
1 1 1 -8  11 13 o 1720.171 40.61946 76.21667       3.535852  73.54090       4.996055  78.90187       5.004856  1689.417 58.41261 1750.924 56.45998 -61.50610      81.23891 
1 1 1 -8  11 14 o 330.8067 60.07204 2.987841       1.034668  2.102040       1.432534  3.953887       1.496013  281.3305 89.43224 380.2829 80.22763 -98.95233      120.1441 
1 1 1 -8  11 15 o 1005.125 38.30416 26.32242       1.939973  27.52569       2.737158  25.10787       2.749958  1029.019 52.71735 981.2309 55.58523 47.78766       76.60833 
1 1 1 -8  11 16 o 521.1189 52.65823 7.372213       1.336951  7.220000       1.768029  7.575480       2.043140  517.1606 69.26763 525.0771 79.33190 -7.916443      105.3165 
1 1 1 -8  11 17 o 647.1496 46.28812 11.77482       1.405680  14.40196       1.881698  8.457536       2.114461  740.9641 50.46183 553.3351 77.61420 187.6289       92.57625 
1 1 1 -8  11 18 o 452.7390 57.83135 5.712673       1.249116  5.239449       1.585134  6.487978       2.028937  431.8060 75.24430 473.6720 87.84164 -41.86597      115.6627 
1 1 1 -8  11 19 o 258.0598 78.09188 1.323535       1.428957  1.505597       1.524073  -0.4631302E-05 4.109262  241.2344 91.17383 274.8852 126.8097 -33.65085      156.1838 
1 1 1 -8  11 20 o 160.9029 76.25069 -1.394400      1.661448  -1.394400      1.661448  0.000000       0.000000  160.9029 76.25069 ?        ?        ?              ?        
1 1 1 -8  11 21 o 322.1786 80.33247 3.682280       1.679176  2.721856       2.467950  4.510139       2.291305  288.6612 114.1035 355.6961 113.1088 -67.03491      160.6649 
1 1 1 -8  12 1  o 783.7568 45.69309 15.17278       1.640307  14.37687       1.934137  17.21176       3.095711  750.2469 51.22749 817.2667 75.67812 -67.01971      91.38618 
1 1 1 -8  12 2  o 819.6523 34.55778 17.12617       1.427153  17.45584       2.047004  16.81437       1.990770  827.3236 49.09155 811.9810 48.65163 15.34265       69.11556 
1 1 1 -8  12 3  o 3111.165 67.03213 248.1953       9.980639  249.7587       17.19573  247.4010       12.25638  3111.273 109.1689 3111.056 77.81637 0.2175293      134.0643 
1 1 1 -8  12 4  o 2554.958 47.65408 166.4285       6.162805  171.1656       8.763754  161.7942       8.668077  2591.080 66.80757 2518.835 67.97347 72.24561       95.30816 
1 1 1 -8  12 5  o 1499.412 46.99216 57.32793       3.285655  57.57605       5.918854  57.21742       3.950184  1498.688 78.28033 1500.136 52.01192 -1.448853      93.98431 
1 1 1 -8  12 6  o 827.6320 35.99008 17.39829       1.488459  20.65048       2.184391  14.57940       2.033677  900.1143 48.10881 755.1497 53.54144 144.9647       71.98016 
1 1 1 -8  12 7  o 1930.306 50.08258 93.74322       4.608428  99.85988       8.115209  90.83183       5.598768  1972.939 81.24609 1887.673 58.58440 85.26538       100.1652 
1 1 1 -8  12 8  o 910.4395 34.97588 21.17924       1.605170  20.85257       2.297234  21.49089       2.243815  903.3975 50.42887 917.4814 48.47864 -14.08392      69.95177 
1 1 1 -8  12 9  o 656.1735 38.65289 11.17054       1.259241  9.989203       1.843014  12.20488       1.724553  622.2421 59.21825 690.1048 49.69289 -67.86273      77.30579 
1 1 1 -8  12 10 o 1682.706 39.41241 72.39379       3.356522  74.89036       4.805345  70.01521       4.690421  1711.104 55.47080 1654.308 56.00307 56.79626       78.82482 
1 1 1 -8  12 11 o 1264.207 44.98855 40.44191       2.737383  38.86645       3.364667  43.52608       4.707689  1232.110 53.93973 1296.302 72.01656 -64.19202      89.97710 
1 1 1 -8  12 12 o 501.5137 66.01839 6.604027       1.635484  0.000000       0.000000  6.604027       1.635484  ?        ?        501.5137 66.01839 ?              ?        
1 1 1 -8  12 13 o 1291.757 37.73074 43.00253       2.467095  42.10154       3.488895  43.90363       3.489103  1277.979 53.92379 1305.534 52.78883 -27.55457      75.46148 
1 1 1 -8  12 14 o 751.3602 39.53355 14.78536       1.486240  15.75247       2.059895  13.73522       2.146501  778.5019 52.57192 724.2186 59.05761 54.28333       79.06711 
1 1 1 -8  12 15 o 882.8490 39.69103 20.43320       1.763783  20.87438       2.472846  19.97631       2.516457  893.2095 54.95055 872.4884 57.28828 20.72113       79.38206 
1 1 1 -8  12 16 o 1028.959 38.13121 27.71598       1.970324  27.00825       2.648698  28.59283       2.948226  1015.753 51.67685 1042.164 56.08440 -26.41058      76.26241 
1 1 1 -8  12 17 o 369.7710 66.86938 4.374420       1.436844  6.376998       1.842799  1.269124       2.294747  476.7444 79.12416 262.7975 107.8213 213.9468       133.7388 
1 1 1 -8  12 18 o 450.6806 63.49947 6.017887       1.394015  6.227737       1.904810  5.775875       2.045578  463.1115 84.35006 438.2497 94.94102 24.86185       126.9989 
1 1 1 -8  12 19 o 379.3447 66.12701 4.331911       1.256742  3.399355       1.625860  5.716173       1.980864  329.3637 93.27362 429.3258 93.76115 -99.96210      132.2540 
1 1 1 -8  12 20 o 492.2531 67.48821 7.481629       1.568832  6.981274       1.959665  8.374628       2.617989  480.8648 83.52683 503.6415 106.0278 -22.77673      134.9764 
1 1 1 -8  12 21 o 358.7987 80.59328 4.520698       1.577510  3.888656       1.935270  5.772243       2.723278  333.8616 103.6431 383.7357 123.4472 -49.87415      161.1866 
1 1 1 -8  13 1  o 382.3895 65.45428 4.221236       1.174626  4.726377       1.370134  2.820357       2.281693  425.6836 65.68986 339.0953 113.2338 86.58835       130.9086 
1 1 1 -8  13 2  o 870.1503 40.23666 19.03903       1.726976  17.89021       2.202289  20.87361       2.783012  837.1365 52.22351 903.1640 61.22629 -66.02747      80.47331 
1 1 1 -8  13 3  o 966.8220 32.29973 24.05450       1.533397  22.53630       2.431644  25.05680       1.975753  940.0452 51.28754 993.5989 39.27696 -53.55377      64.59946 
1 1 1 -8  13 4  o 1420.731 34.52990 51.95089       2.405824  48.59721       3.851723  54.09628       3.080689  1381.852 55.05665 1459.610 41.68957 -77.75781      69.05979 
1 1 1 -8  13 5  o 1398.063 35.03378 50.29921       2.390838  47.39900       3.880125  52.07428       3.035565  1364.254 56.17808 1431.873 41.87466 -67.61926      70.06757 
1 1 1 -8  13 6  o 1156.355 36.63197 33.99525       2.142613  35.30156       3.111972  32.81788       2.954391  1177.390 52.20737 1135.320 51.40035 42.06970       73.26395 
1 1 1 -8  13 7  o 1226.656 46.34501 39.40024       2.646833  36.39593       4.658526  40.83241       3.216425  1187.363 77.92885 1265.948 50.18498 -78.58545      92.69001 
1 1 1 -8  13 8  o 1162.035 36.26676 34.42286       2.132355  35.33697       3.080411  33.58183       2.954724  1176.759 51.70559 1147.311 50.86889 29.44824       72.53352 
1 1 1 -8  13 9  o 650.1942 38.08059 10.85755       1.240627  11.32336       1.812021  10.44652       1.702150  663.2645 54.44283 637.1240 53.25882 26.14056       76.16117 
1 1 1 -8  13 10 o 212.0180 57.55799 0.2794529      0.9395834 -0.7508243     1.219317  1.785529       1.474223  154.6348 70.48615 269.4012 91.01313 -114.7664      115.1160 
1 1 1 -8  13 11 o 1386.794 46.06404 49.76436       3.066443  49.90268       3.795518  49.50438       5.203502  1394.766 53.75093 1378.823 74.82259 15.94348       92.12807 
1 1 1 -8  13 12 o 925.2188 51.87138 22.07734       2.419922  0.000000       0.000000  22.07734       2.419922  ?        ?        925.2188 51.87138 ?              ?        
1 1 1 -8  13 13 o 197.9361 52.04888 0.1636928      0.8770115 -1.817559      1.303455  1.802541       1.185484  135.6535 65.17074 260.2188 81.17339 -124.5653      104.0978 
1 1 1 -8  13 14 o 566.2112 43.80758 8.484371       1.233144  9.138822       1.779663  7.879968       1.710264  587.9133 60.66347 544.5090 63.21676 43.40436       87.61516 
1 1 1 -8  13 15 o 355.8356 57.85561 3.573565       1.024607  4.114871       1.454691  3.040628       1.443402  384.5209 77.40408 327.1502 86.00985 57.37076       115.7112 
1 1 1 -8  13 16 o 429.9788 57.52394 5.233035       1.203637  4.943117       1.745931  5.495622       1.661598  415.9839 85.75265 443.9736 76.69744 -27.98972      115.0479 
1 1 1 -8  13 17 o 757.8655 63.89540 16.63642       2.381025  15.06068       3.439558  18.08633       3.299371  715.6334 97.47105 800.0977 82.64311 -84.46429      127.7908 
1 1 1 -8  13 18 o 911.6199 52.89918 22.41024       2.328995  27.88392       4.002084  19.60726       2.863891  983.7233 81.08040 839.5165 67.96516 144.2068       105.7984 
1 1 1 -8  13 19 o 349.3492 67.44424 4.042506       1.259093  4.752131       1.650622  3.055022       1.947145  394.1954 85.19455 304.5031 104.5791 89.69232       134.8885 
1 1 1 -8  13 20 o 319.6526 77.69888 3.234014       1.432851  2.481123       1.721710  4.930337       2.584332  277.3290 98.12833 361.9761 120.4960 -84.64709      155.3978 
1 1 1 -8  13 21 o 344.5271 105.2988 4.328019       2.006477  4.328019       2.006477  0.000000       0.000000  344.5271 105.2988 ?        ?        ?              ?        
1 1 1 -8  14 1  o 1747.867 49.72841 77.83265       4.105901  77.39384       4.975410  78.76949       7.269858  1743.151 56.37809 1752.583 81.93393 -9.432129      99.45682 
1 1 1 -8  14 2  f 1689.367 34.02734 71.85346       2.854030  76.16600       4.558154  69.07245       3.660360  1729.994 52.04281 1648.739 43.85187 81.25488       68.05469 
1 1 1 -8  14 3  o 1312.996 33.64570 44.42859       2.169963  41.26649       3.452098  46.49421       2.790107  1273.042 53.56200 1352.950 40.73384 -79.90833      67.29140 
1 1 1 -8  14 4  o 1515.946 47.33596 60.20490       3.020579  56.33416       6.252295  61.38339       3.449896  1477.997 83.90277 1553.895 43.85312 -75.89880      94.67191 
1 1 1 -8  14 5  o 1086.088 32.76099 29.31010       1.736987  32.64671       2.931501  27.50488       2.156269  1131.962 51.15341 1040.215 40.94456 91.74731       65.52197 
1 1 1 -8  14 6  o 1072.951 37.03488 29.36336       2.011583  29.10575       2.822638  29.62923       2.867508  1068.198 52.19392 1077.704 52.55591 -9.505981      74.06976 
1 1 1 -8  14 7  o 714.5334 54.72501 14.49402       1.673417  10.74267       3.028002  16.14356       2.007904  635.2400 97.24838 793.8268 50.22010 -158.5868      109.4500 
1 1 1 -8  14 8  o 792.1055 36.57631 16.14055       1.454795  15.36117       2.099593  16.86027       2.017635  773.1132 53.98122 811.0978 49.36936 -37.98462      73.15262 
1 1 1 -8  14 9  o 1282.352 36.61103 42.07145       2.376528  42.18873       3.391262  41.95827       3.331375  1284.005 52.16883 1280.700 51.37981 3.304443       73.22207 
1 1 1 -8  14 10 f 277.1994 64.26720 1.942765       1.023470  1.902414       1.309228  2.006172       1.641199  270.6893 85.43803 283.7094 96.02828 -13.02011      128.5344 
1 1 1 -8  14 11 o 465.9117 55.21561 5.812000       1.209816  5.794936       1.517181  5.841798       2.004873  468.5299 65.77301 463.2936 88.70718 5.236359       110.4312 
1 1 1 -8  14 12 o 311.8952 82.06800 2.675466       1.313416  0.000000       0.000000  2.675466       1.313416  ?        ?        311.8952 82.06800 ?              ?        
1 1 1 -8  14 13 o 169.2536 51.49441 -0.4271444     0.8705336 0.7099329      1.222499  -1.596871      1.239926  203.9558 80.40677 134.5513 64.35408 69.40457       102.9888 
1 1 1 -8  14 14 o 612.8757 42.22165 9.952660       1.291906  9.347429       1.801831  10.59297       1.853319  593.0178 60.87911 632.7337 58.51840 -39.71594      84.44329 
1 1 1 -8  14 15 o 541.4299 46.31433 7.876935       1.237017  8.987335       1.820565  6.924628       1.685988  578.2232 63.22102 504.6367 67.69913 73.58652       92.62866 
1 1 1 -8  14 16 o 371.6733 72.17291 4.324265       1.330576  4.595703       1.543973  3.540848       2.623017  402.4212 78.60294 340.9254 121.0673 61.49576       144.3458 
1 1 1 -8  14 17 o 428.3850 78.73103 5.944584       1.714315  5.594099       2.680746  6.187087       2.229865  408.8265 120.9974 447.9435 100.7667 -39.11694      157.4621 
1 1 1 -8  14 18 o 746.2777 50.27953 15.39068       1.847248  19.27545       2.913774  12.78005       2.388610  823.7198 70.55112 668.8357 71.65656 154.8841       100.5591 
1 1 1 -8  14 19 o 244.7769 67.81345 1.602024       1.273618  0.6755767      1.894860  2.365486       1.720128  216.8572 93.85010 272.6966 97.91226 -55.83936      135.6269 
1 1 1 -8  14 20 o 312.3480 65.74938 3.318537       1.325265  5.167838       1.763165  0.9169435      2.009273  401.1791 89.12642 223.5170 96.68716 177.6621       131.4988 
1 1 1 -8  15 1  o 1535.577 38.46189 60.14312       2.989851  59.76879       4.247452  60.51077       4.209382  1530.753 54.80746 1540.401 53.97601 -9.648438      76.92378 
1 1 1 -8  15 2  o 1395.446 34.28081 49.80994       2.359659  48.60514       3.765229  50.58917       3.028066  1380.496 53.87317 1410.396 42.40730 -29.89966      68.56162 
1 1 1 -8  15 3  o 1368.208 44.87383 47.54027       2.577317  48.78366       5.482687  47.18757       2.920068  1374.407 79.12852 1362.010 42.34761 12.39661       89.74767 
1 1 1 -8  15 4  o 848.7112 34.28909 18.06603       1.392180  19.42779       2.421788  17.39392       1.701403  870.4794 55.23948 826.9430 40.63945 43.53644       68.57817 
1 1 1 -8  15 5  o 923.8115 33.95779 21.81223       1.521544  21.75256       2.526457  21.84619       1.905951  921.0774 54.42077 926.5456 40.63135 -5.468201      67.91559 
1 1 1 -8  15 6  o 634.9026 55.42377 10.91923       1.559442  11.44374       1.870018  9.721646       2.825649  666.4319 55.94266 603.3734 95.69534 63.05859       110.8475 
1 1 1 -8  15 7  o 710.4095 49.90260 12.92819       1.645856  13.72332       2.955125  12.57063       1.981654  722.6282 82.23997 698.1909 56.54788 24.43738       99.80519 
1 1 1 -8  15 8  o 1272.686 36.37043 41.44006       2.342879  42.42744       3.357285  40.50274       3.271060  1287.437 51.50847 1257.935 51.36255 29.50134       72.74087 
1 1 1 -8  15 9  o 714.7537 45.95129 13.44205       1.530458  12.86646       2.665441  13.72516       1.869318  699.3866 76.52668 730.1208 50.88961 -30.73425      91.90258 
1 1 1 -8  15 10 o 1207.215 43.85347 37.45210       2.553287  36.72805       3.161506  38.81011       4.329757  1195.254 52.24566 1219.177 70.44785 -23.92322      87.70695 
1 1 1 -8  15 11 o 487.0612 71.20770 6.514394       1.656308  7.175695       2.710052  6.120093       2.092626  503.0277 109.5207 471.0946 91.03492 31.93314       142.4154 
1 1 1 -8  15 12 o 324.1548 61.22397 3.284369       1.032433  1.389625       2.052364  3.926282       1.194586  266.0134 104.4020 382.2962 63.98220 -116.2828      122.4479 
1 1 1 -8  15 13 o 638.7349 42.29551 10.85267       1.311107  7.967663       1.807919  14.05312       1.904196  544.5193 66.99473 732.9505 51.64638 -188.4312      84.59103 
1 1 1 -8  15 14 o 570.6407 43.90574 8.744493       1.237921  8.852475       1.660619  8.609432       1.857196  576.8135 57.63742 564.4678 66.24790 12.34570       87.81149 
1 1 1 -8  15 15 o 360.5221 68.89861 3.949167       1.224361  4.125223       1.442333  3.495125       2.316266  381.7270 77.28376 339.3172 114.0846 42.40985       137.7972 
1 1 1 -8  15 16 o 169.9518 55.97924 -0.9764512     1.020473  -1.222274      1.194723  -0.3132586     1.962348  136.3914 64.64212 203.5122 91.41169 -67.12077      111.9585 
1 1 1 -8  15 17 o 265.7381 71.47367 1.578673       1.421530  3.467210       2.145509  0.1009153      1.897882  324.8264 109.7960 206.6497 91.53566 118.1767       142.9473 
1 1 1 -8  15 18 o 242.4201 71.16453 1.419215       1.429750  1.097453       2.271866  1.630218       1.839759  239.3132 103.1664 245.5271 98.05230 -6.213898      142.3291 
1 1 1 -8  15 19 o 237.6643 67.54259 1.403891       1.309795  2.374816       1.787188  0.2772701      1.925156  270.0291 99.38274 205.2995 91.49361 64.72963       135.0852 
1 1 1 -8  15 20 o 194.5703 62.43974 0.3861711E-01  1.345443  0.5016306      1.778513  -0.5809121     2.057269  201.4634 88.95509 187.6771 87.64632 13.78635       124.8795 
1 1 1 -8  16 1  o 955.0918 31.90868 23.14612       1.492250  23.81976       2.445221  22.74635       1.883698  964.6973 50.23978 945.4864 39.35250 19.21088       63.81736 
1 1 1 -8  16 2  o 665.0134 53.24115 12.03586       1.280882  10.80452       3.071844  12.29501       1.409238  636.1664 98.56550 693.8603 40.29050 -57.69385      106.4823 
1 1 1 -8  16 3  o 937.9283 48.13588 22.99848       1.780438  22.26286       4.014111  23.17864       1.986537  921.7988 87.04443 954.0579 41.12805 -32.25909      96.27175 
1 1 1 -8  16 4  o 496.6781 42.43995 5.854969       0.9521500 7.811471       1.858893  5.159080       1.108623  546.6677 68.68179 446.6885 49.87392 99.97925       84.87989 
1 1 1 -8  16 5  o 555.8931 42.42603 8.109083       1.155336  7.419457       1.745441  8.646840       1.541315  532.9291 66.11201 578.8571 53.18903 -45.92792      84.85205 
1 1 1 -8  16 6  o 555.7287 60.64905 9.034944       1.443721  10.28204       1.747365  6.352303       2.562803  630.9471 55.25946 480.5102 107.9797 150.4369       121.2981 
1 1 1 -8  16 7  o 208.4177 60.35917 0.5985745      0.8731399 -0.3892567     2.054856  0.8162285      0.9645470 218.7988 96.15129 198.0366 72.99209 20.76224       120.7183 
1 1 1 -8  16 8  o 1381.000 37.81509 48.99765       2.642861  48.41472       3.776302  49.55726       3.700006  1372.623 54.34152 1389.377 52.60155 -16.75439      75.63018 
1 1 1 -8  16 9  o 1481.854 46.28922 56.37877       3.315917  54.91475       4.096983  59.15898       5.645855  1459.513 55.44631 1504.194 74.13821 -44.68164      92.57845 
1 1 1 -8  16 10 o 787.3335 46.33939 15.92712       1.794960  14.57092       2.286967  18.10280       2.896654  746.2662 61.06649 828.4008 69.71543 -82.13458      92.67879 
1 1 1 -8  16 11 o 876.6548 54.28682 20.29581       2.361305  24.52262       3.580644  17.04296       3.141134  958.1577 74.39765 795.1520 79.07732 163.0057       108.5736 
1 1 1 -8  16 12 o 1002.221 47.88886 26.99116       2.215316  26.22475       3.969514  27.33784       2.669745  981.1727 80.62439 1023.268 51.70184 -42.09570      95.77773 
1 1 1 -8  16 13 o 217.4893 59.89153 0.7222160      0.9317385 1.688864       1.573668  0.2004317      1.156177  258.0190 93.51444 176.9596 74.85338 81.05931       119.7831 
1 1 1 -8  16 14 o 202.2173 59.32477 0.4765116      1.009448  0.5673153E-01  1.442890  0.8789317      1.412739  188.2996 81.69325 216.1350 86.04607 -27.83534      118.6495 
1 1 1 -8  16 15 o 149.6129 48.71746 -0.7401204     0.8603776 -0.2182774     1.082403  -1.635675      1.417964  155.1154 68.89744 144.1104 68.89634 11.00507       97.43491 
1 1 1 -8  16 16 o 379.7598 76.79170 4.620110       1.452108  4.532475       1.697806  4.858879       2.802445  387.1219 88.54961 372.3976 125.4864 14.72430       153.5834 
1 1 1 -8  16 17 o 268.0005 75.34349 2.113030       1.528042  1.993059       2.104997  2.246670       2.221677  263.1556 104.9488 272.8454 108.1311 -9.689819      150.6870 
1 1 1 -8  16 18 o 382.8698 74.41525 5.071164       1.515729  6.528372       2.246697  3.853862       2.053443  437.5270 103.1155 328.2125 107.3206 109.3145       148.8305 
1 1 1 -8  16 19 o 281.1987 70.68319 2.635419       1.235198  2.170075       1.563976  3.406880       2.013726  257.4460 93.23840 304.9513 106.2594 -47.50525      141.3664 
1 1 1 -8  17 1  o 791.6454 50.87958 16.52787       1.477079  15.97953       3.604551  16.63853       1.619278  775.2310 93.74549 808.0598 39.58170 -32.82880      101.7592 
1 1 1 -8  17 2  o 398.9734 63.41062 5.466393       0.9596594 2.045700       2.621566  5.995704       1.031238  314.9740 119.4482 482.9729 42.61158 -167.9989      126.8212 
1 1 1 -8  17 3  o 460.0566 54.97953 5.879089       1.171465  4.759578       1.903533  6.561571       1.486249  418.2426 92.36470 501.8706 59.66370 -83.62808      109.9591 
1 1 1 -8  17 4  o 959.8881 46.61043 24.11716       1.819982  23.41376       3.946673  24.30713       2.051087  943.6523 83.47157 976.1238 41.50454 -32.47150      93.22086 
1 1 1 -8  17 5  o 219.7004 50.89185 0.7705847      0.7223688 2.264534       1.178324  -0.1289545     0.9143379 289.9950 78.38755 149.4059 64.92546 140.5891       101.7837 
1 1 1 -8  17 6  o 610.2124 62.08886 10.71319       1.597609  11.67536       1.895069  8.349398       2.970311  671.4855 56.26344 548.9393 110.7002 122.5462       124.1777 
1 1 1 -8  17 7  o 699.1161 49.33234 11.92835       1.617619  15.51215       2.964286  10.40854       1.930382  766.4009 77.46102 631.8313 61.11064 134.5696       98.66468 
1 1 1 -8  17 8  o 1477.338 38.46073 56.36816       2.863467  63.30710       4.092689  49.71423       4.007756  1567.911 51.55890 1386.764 57.08408 181.1472       76.92146 
1 1 1 -8  17 9  o 914.8036 46.17157 22.16590       2.066381  22.84737       2.663423  21.13547       3.275115  936.8979 56.41494 892.7094 73.10683 44.18860       92.34313 
1 1 1 -8  17 10 o 221.0487 53.54826 0.9876094      0.8909354 -1.217912      1.512016  2.160644       1.102697  162.2254 75.55160 279.8721 75.90535 -117.6467      107.0965 
1 1 1 -8  17 11 o 237.3327 70.27735 0.4991595      1.475971  -0.8468063     2.299071  1.442818       1.925053  214.2046 97.30959 260.4609 101.4222 -46.25632      140.5547 
1 1 1 -8  17 12 o 651.4884 59.78474 11.81206       1.696153  11.94402       3.232940  11.76194       1.992381  638.9761 103.4758 664.0007 59.91334 -25.02460      119.5695 
1 1 1 -8  17 13 o 626.3378 47.47318 10.72694       1.474297  10.20583       2.150381  11.18914       2.025187  609.1811 71.05987 643.4946 62.97066 -34.31348      94.94635 
1 1 1 -8  17 14 o 488.5717 54.73036 6.852767       1.285603  8.045566       1.787498  5.574589       1.850366  540.4844 66.74248 436.6590 86.75880 103.8254       109.4607 
1 1 1 -8  17 15 o 545.9828 50.85908 8.518463       1.335065  10.26534       1.873848  6.717542       1.902615  611.7516 61.32865 480.2141 81.15036 131.5376       101.7182 
1 1 1 -8  17 16 o 293.5031 74.49925 2.215463       1.322115  1.266309       1.558335  4.653830       2.497710  227.6258 90.44986 359.3803 118.4035 -131.7545      148.9985 
1 1 1 -8  17 17 o 126.1617 63.05936 -3.773655      1.670620  -3.773655      1.670620  0.000000       0.000000  126.1617 63.05936 ?        ?        ?              ?        
1 1 1 -8  17 18 o 310.2897 68.74532 3.311305       1.428591  0.8373062      2.104327  5.426274       1.945654  221.2875 97.27206 399.2920 97.16903 -178.0045      137.4906 
1 1 1 -8  17 19 o 360.5681 67.27215 4.394138       1.350186  2.321928       1.769185  7.284431       2.089427  257.1817 97.98332 463.9544 92.20322 -206.7726      134.5443 
1 1 1 -8  18 1  o 433.0540 42.72424 4.836826       0.9244907 0.000000       0.000000  4.836826       0.9244907 ?        ?        433.0540 42.72424 ?              ?        
1 1 1 -8  18 2  o 1120.271 49.30008 34.77532       2.169417  29.18388       4.727328  36.26701       2.441709  1048.629 89.91486 1191.914 40.46367 -143.2858      98.60015 
1 1 1 -8  18 3  o 913.6774 32.47046 20.10021       1.434225  25.92453       2.517998  17.30317       1.744950  1005.485 49.46480 821.8700 42.07798 183.6147       64.94093 
1 1 1 -8  18 4  o 1222.511 38.57964 38.55031       2.379678  35.08082       3.374930  41.98078       3.355896  1166.713 57.13698 1278.309 51.85478 -111.5968      77.15927 
1 1 1 -8  18 5  o 1315.623 38.15181 44.56132       2.540205  44.84610       3.647195  44.29303       3.539989  1319.436 54.59929 1311.809 53.30252 7.627563       76.30361 
1 1 1 -8  18 6  o 427.5588 66.62504 4.394836       1.272647  3.584560       1.470667  6.810654       2.539393  361.7659 82.16950 493.3517 104.8988 -131.5858      133.2501 
1 1 1 -8  18 7  o 449.6101 67.09489 4.271466       1.279303  8.872894       2.868660  3.129158       1.429304  562.6675 104.5519 336.5528 84.11776 226.1147       134.1898 
1 1 1 -8  18 8  o 791.2053 47.42972 16.49270       1.848816  16.18302       2.394264  16.95007       2.909701  785.0522 60.71262 797.3585 72.88546 -12.30621      94.85944 
1 1 1 -8  18 9  o 581.0545 54.28596 9.403611       1.505045  11.09520       2.048423  7.419163       2.218665  646.2714 63.42394 515.8376 88.12076 130.4337       108.5719 
1 1 1 -8  18 10 o 620.4045 53.44717 9.953646       1.512667  12.02594       2.835177  9.129004       1.788493  655.9315 87.56285 584.8775 61.31188 71.05402       106.8943 
1 1 1 -8  18 11 o 364.9389 80.95046 3.973435       1.766433  5.719688       2.506044  2.249112       2.490258  431.1194 113.3248 298.7584 115.6261 132.3611       161.9009 
1 1 1 -8  18 12 o 184.3627 57.68784 -0.2435305     1.088591  -2.867362      2.200473  0.6066954      1.252608  171.7251 83.03156 197.0004 80.10809 -25.27530      115.3757 
1 1 1 -8  18 13 o 246.3882 62.85290 1.463119       1.068914  0.4624618      1.503467  2.485924       1.520013  202.7518 85.53857 290.0245 92.11462 -87.27266      125.7058 
1 1 1 -8  18 14 o 350.0278 63.84166 3.694859       1.153789  2.850121       1.571893  4.681627       1.698907  305.0522 93.19480 395.0034 87.27978 -89.95123      127.6833 
1 1 1 -8  18 15 o 233.0399 63.93395 1.276356       1.088048  0.6592476      1.434512  2.112262       1.669560  201.3289 84.16177 264.7509 96.26525 -63.42207      127.8679 
1 1 1 -8  18 16 o 199.6723 61.66523 0.4507114      1.177560  0.8522959      1.461063  -0.2936913     1.989227  205.0697 85.26371 194.2750 89.10950 10.79466       123.3305 
1 1 1 -8  18 17 o 345.0885 77.80598 4.293079       1.450258  3.857208       1.738670  5.289840       2.629258  332.5076 97.17304 357.6693 121.5421 -25.16171      155.6120 
1 1 1 -8  18 18 o 234.6178 72.22795 1.446040       1.610341  0.7955313      2.659114  1.822773       2.023614  227.4843 103.8471 241.7513 100.4156 -14.26691      144.4559 
1 1 1 -8  18 19 o 216.4970 64.38663 1.289059       1.232175  0.4450662      1.720948  2.176816       1.765003  189.8430 85.40852 243.1511 96.37397 -53.30812      128.7733 
1 1 1 -8  19 1  o 433.4871 68.62182 6.872022       1.335117  1.475251       3.144822  8.058591       1.474604  310.1666 126.6190 556.8075 52.94762 -246.6409      137.2436 
1 1 1 -8  19 2  o 771.7115 35.84174 15.22758       1.298283  15.84946       2.312477  14.94135       1.568870  780.3498 58.96879 763.0732 40.75787 17.27661       71.68349 
1 1 1 -8  19 3  o 548.8043 41.62091 8.296536       1.030743  6.775043       1.777045  9.067956       1.265345  504.1569 71.63741 593.4517 42.39436 -89.29480      83.24182 
1 1 1 -8  19 4  o 449.3876 49.33522 5.522854       1.057178  4.665042       1.606290  6.178364       1.404164  413.8423 79.55637 484.9329 58.36642 -71.09064      98.67043 
1 1 1 -8  19 5  o 243.0817 58.13413 1.451988       0.8488043 1.834890       1.291908  1.161158       1.125920  263.7605 85.04414 222.4028 79.28306 41.35768       116.2683 
1 1 1 -8  19 6  o 260.4618 71.99030 1.414173       1.114568  1.579274       1.201018  0.3896200      2.991861  246.9392 82.14073 273.9843 118.2511 -27.04517      143.9806 
1 1 1 -8  19 7  o 348.6873 57.26333 3.357477       0.9820319 3.659581       1.518359  3.140221       1.287601  361.0871 84.54717 336.2876 77.25368 24.79947       114.5267 
1 1 1 -8  19 8  o 381.3840 63.65470 4.156997       1.210742  4.496144       1.723699  3.826715       1.701022  397.8030 87.92675 364.9651 92.06828 32.83789       127.3094 
1 1 1 -8  19 9  f 348.7622 75.99014 3.797105       1.498967  2.275105       2.787340  4.416365       1.777950  307.1687 121.3121 390.3558 91.54986 -83.18713      151.9803 
1 1 1 -8  19 10 o 744.2724 50.69573 14.61906       1.770427  16.85210       3.170113  13.60690       2.134274  775.7729 81.95613 712.7719 59.69440 63.00110       101.3915 
1 1 1 -8  19 11 o 308.9170 73.08698 2.625245       1.315159  1.921846       1.642975  3.879860       2.194246  265.6238 95.65758 352.2102 110.5281 -86.58643      146.1740 
1 1 1 -8  19 12 o 226.0227 61.84216 1.181570       1.006068  1.088254       1.495818  1.258655       1.359519  224.6882 88.82703 227.3571 86.06725 -2.668900      123.6843 
1 1 1 -8  19 13 o 167.0411 53.78128 -0.5718173     1.010507  -1.048668      1.435609  -0.1035525     1.422626  155.5330 72.82279 178.5493 79.16152 -23.01636      107.5626 
1 1 1 -8  19 14 o 241.5650 65.72498 1.570218       1.136640  1.307440       1.587620  1.846549       1.628044  230.3315 91.36813 252.7984 94.50372 -22.46693      131.4500 
1 1 1 -8  19 15 o 183.2477 57.48508 0.1204593      1.041800  0.2126658E-01  1.343615  0.2699949      1.649709  172.6614 76.72300 193.8339 85.62545 -21.17253      114.9702 
1 1 1 -8  19 16 o 238.3435 69.03840 1.675656       1.284347  1.784072       1.536727  1.424473       2.339080  238.6023 91.22026 238.0847 103.6536 0.5176697      138.0768 
1 1 1 -8  19 17 o 239.0848 70.49869 1.738656       1.355213  1.739074       1.616209  1.737665       2.487173  234.5476 92.45692 243.6221 106.4518 -9.074478      140.9974 
1 1 1 -8  19 18 o 276.6760 78.84431 3.026362       1.666169  4.925717       2.730767  1.899923       2.102982  316.9670 121.5002 236.3851 100.5158 80.58188       157.6886 
1 1 1 -8  20 1  o 308.6254 64.79416 2.008556       0.6435044 3.382185       2.526831  1.913290       0.6654451 349.5251 119.1493 267.7257 50.95667 81.79941       129.5883 
1 1 1 -8  20 2  f 558.8328 41.04533 7.859587       1.017476  9.025699       2.001134  7.453015       1.181612  581.3061 69.36666 536.3594 43.89925 44.94672       82.09067 
1 1 1 -8  20 3  o 164.8218 48.41187 0.2595205      0.6399361 -0.2281445E-01 1.132220  0.3920525      0.7757266 168.7145 72.78078 160.9291 63.85760 7.785416       96.82373 
1 1 1 -8  20 4  o 552.6185 72.19554 8.907948       1.579217  9.084282       1.777143  8.245965       3.443336  585.7379 60.81526 519.4991 130.9591 66.23877       144.3911 
1 1 1 -8  20 5  o 173.2008 49.49102 0.3883805      0.6854500 -0.3853228     1.199911  0.7631631      0.8351248 160.9400 71.94101 185.4616 67.98480 -24.52159      98.98203 
1 1 1 -8  20 6  o 220.3752 55.45761 1.056083       0.8087553 1.811759       1.205755  0.4380509      1.090427  257.7237 82.06142 183.0268 74.61979 74.69688       110.9152 
1 1 1 -8  20 7  o 188.1773 54.68394 0.4408272      0.8381342 0.3038019      1.192175  0.5747371      1.178545  183.0409 76.63830 193.3137 78.02504 -10.27284      109.3679 
1 1 1 -8  20 8  o 699.3777 48.72245 13.36052       1.683220  13.59112       2.239518  13.06112       2.551801  710.4371 62.91592 688.3182 74.41167 22.11890       97.44491 
1 1 1 -8  20 9  o 945.0530 46.93342 23.61651       2.102512  26.37696       3.713541  22.31417       2.550708  974.7714 75.84634 915.3346 55.30206 59.43677       93.86684 
1 1 1 -8  20 10 o 258.4230 59.24112 1.856028       1.099312  -1.057515      1.982876  3.148932       1.320894  188.2605 87.28236 328.5856 80.12383 -140.3251      118.4822 
1 1 1 -8  20 11 o 216.3209 59.85166 0.9861323      0.9634919 1.457975       1.397046  0.5581364      1.330552  236.3601 87.70333 196.2816 81.46785 40.07851       119.7033 
1 1 1 -8  20 12 o 246.7491 65.84537 1.550012       1.279563  -1.249236      2.440599  2.611114       1.502638  202.1319 94.73959 291.3663 91.47054 -89.23438      131.6907 
1 1 1 -8  20 13 o 270.3834 64.62166 2.271176       1.052640  2.128416       1.495342  2.411411       1.482062  263.4096 91.57894 277.3573 91.19830 -13.94772      129.2433 
1 1 1 -8  20 14 o 321.5757 65.21672 3.472824       1.220489  5.000868       1.707105  1.875084       1.745602  395.0145 87.65243 248.1370 96.59158 146.8774       130.4334 
1 1 1 -8  20 15 o 277.8842 77.20202 2.381802       1.472340  4.769942       2.747407  1.419622       1.743899  329.4958 122.8464 226.2726 93.53812 103.2232       154.4040 
1 1 1 -8  20 16 o 309.7255 74.63193 3.807697       1.430431  3.221700       2.162242  4.263747       1.907493  284.2150 108.3128 335.2361 102.7036 -51.02106      149.2639 
1 1 1 -8  20 17 o 185.4452 59.25945 0.3042573      1.171526  0.6931278      1.410956  -0.5589051     2.102119  188.3434 81.24778 182.5469 86.28748 5.796555       118.5189 
1 1 1 -8  21 1  o 613.6556 67.06686 10.14531       2.049687  10.14531       2.049687  0.000000       0.000000  613.6556 67.06686 ?        ?        ?              ?        
1 1 1 -8  21 2  o 539.6110 64.32997 8.540248       1.209606  7.734128       3.018538  8.694459       1.320245  502.0645 120.3257 577.1575 45.55345 -75.09302      128.6599 
1 1 1 -8  21 3  o 688.0495 70.30083 14.07714       2.046828  12.44211       3.868274  14.71292       2.412177  635.5410 124.6775 740.5580 64.99506 -105.0170      140.6017 
1 1 1 -8  21 4  o 833.7474 43.63608 18.51134       1.787835  18.30049       2.297966  18.83467       2.845717  832.2643 54.84533 835.2304 67.88535 -2.966064      87.27216 
1 1 1 -8  21 5  o 418.2614 53.99905 4.917608       1.099056  5.410212       1.552222  4.422359       1.556385  442.0313 71.82713 394.4914 80.65020 47.53998       107.9981 
1 1 1 -8  21 6  o 400.9468 57.36485 4.650549       1.121814  5.359938       1.550922  3.872149       1.624610  438.5720 72.37469 363.3216 89.02140 75.25037       114.7297 
1 1 1 -8  21 7  o 319.6179 62.52415 2.957962       1.036836  2.584157       1.355929  3.484279       1.608934  297.2720 85.50964 341.9639 91.24240 -44.69189      125.0483 
1 1 1 -8  21 8  o 161.4276 52.70831 -1.076700      0.9773622 0.3210873E-01  1.599403  -1.737505      1.234715  193.9045 85.02918 128.9508 62.31134 64.95375       105.4166 
1 1 1 -8  21 9  o 719.1262 48.51176 13.96468       1.687971  16.11679       2.832325  12.77928       2.102057  754.7156 75.12534 683.5367 61.39828 71.17896       97.02353 
1 1 1 -8  21 10 o 357.8076 66.25135 4.137147       1.232196  3.154023       1.980291  4.758260       1.574018  313.7983 105.4867 401.8168 80.18435 -88.01855      132.5027 
1 1 1 -8  21 11 o 415.6544 73.52068 6.228897       1.509590  4.284168       2.963171  6.910548       1.754318  342.2623 127.5843 489.0466 73.09857 -146.7843      147.0414 
1 1 1 -8  21 12 o 242.6568 64.67445 1.704094       1.084339  1.524256       1.629753  1.846936       1.452484  237.0838 93.03860 248.2298 89.86079 -11.14595      129.3489 
1 1 1 -8  21 13 o 313.2596 64.91349 3.318882       1.222613  1.584992       1.757114  4.946206       1.702261  236.0532 95.27261 390.4661 88.19395 -154.4129      129.8270 
1 1 1 -8  21 14 o 330.7740 68.74152 4.032394       1.300111  5.198401       1.793686  2.741722       1.887139  389.0393 92.43527 272.5088 101.7709 116.5305       137.4830 
1 1 1 -8  21 15 o 175.7849 57.80732 -0.3717216     1.239781  -0.6769671     1.685435  -0.1182026E-01 1.830119  166.1321 78.14188 185.4377 85.20911 -19.30560      115.6146 
1 1 1 -8  21 16 o 150.7965 51.71693 -1.724942      1.245913  -2.659334      1.846229  -0.9435570     1.688316  142.1334 70.22540 159.4596 75.94049 -17.32619      103.4339 
1 1 1 -8  21 17 o 195.2162 64.87697 -0.7728411     1.312368  -2.054355      1.493828  3.561644       2.747310  129.8465 63.96825 260.5859 112.8900 -130.7394      129.7539 
1 1 1 -8  22 1  o 620.1334 46.68640 10.53222       1.437253  11.28962       2.012962  9.744556       2.052789  645.5280 62.37079 594.7387 69.48644 50.78931       93.37280 
1 1 1 -8  22 2  o 495.8346 46.44402 6.741744       1.134952  6.668796       1.555363  6.824823       1.659857  494.0576 63.66407 497.6116 67.63930 -3.554077      92.88805 
1 1 1 -8  22 3  o 286.3848 84.27554 2.385880       1.303749  2.385880       1.303749  0.000000       0.000000  286.3848 84.27554 ?        ?        ?              ?        
1 1 1 -8  22 4  o 366.8353 78.00412 3.872548       1.404088  3.872548       1.404088  0.000000       0.000000  366.8353 78.00412 ?        ?        ?              ?        
1 1 1 -8  22 5  o 452.9440 77.87803 6.228488       1.532430  7.066747       3.326468  6.002665       1.726550  447.2993 135.3341 458.5886 77.10149 -11.28922      155.7561 
1 1 1 -8  22 6  o 438.3315 83.75706 6.271500       1.641315  6.532678       3.874550  6.214382       1.811920  413.2932 147.1019 463.3699 80.13737 -50.07669      167.5141 
1 1 1 -8  22 7  o 459.8658 54.70545 6.109815       1.227511  6.469083       1.753658  5.764689       1.718794  474.6673 75.50343 445.0643 79.18318 29.60297       109.4109 
1 1 1 -8  22 8  o 377.5883 63.16349 4.544952       1.202113  3.369785       1.858449  5.390353       1.576276  323.7502 101.7397 431.4263 74.88345 -107.6760      126.3270 
1 1 1 -8  22 9  o 306.6196 69.04787 2.995818       1.184739  3.016003       1.966200  2.984313       1.484488  304.1377 105.0532 309.1016 89.63406 -4.963898      138.0957 
1 1 1 -8  22 10 o 307.3669 83.96251 3.138403       1.793298  4.156021       2.994655  2.569462       2.239176  331.4882 127.1952 283.2455 109.6367 48.24274       167.9250 
1 1 1 -8  22 11 o 356.7765 74.82669 4.915838       1.530615  3.074701       2.996882  5.565589       1.780329  293.4198 122.0655 420.1333 86.58033 -126.7135      149.6534 
1 1 1 -8  22 12 o 378.2617 64.48976 4.848446       1.237428  3.888969       1.760902  5.784499       1.739274  331.3357 98.06593 425.1876 83.77822 -93.85196      128.9795 
1 1 1 -8  22 13 o 239.1715 66.88550 1.924361       1.198968  1.979093       1.733571  1.874175       1.660014  241.2288 95.54362 237.1142 93.62743 4.114578       133.7710 
1 1 1 -8  22 14 o 313.9610 78.74966 4.152128       1.503746  3.782983       1.811340  4.970731       2.697353  309.7530 100.7719 318.1689 121.0416 -8.415924      157.4993 
1 1 1 -8  22 15 o 276.7408 77.39478 3.430207       1.573061  3.373106       1.866886  3.570005       2.921079  284.7927 102.0303 268.6890 116.4029 16.10370       154.7896 
1 1 1 -8  22 16 o 200.2536 67.61996 -0.5222706E-01 1.957937  -1.989699      2.769813  1.882807       2.768070  175.3205 86.50999 225.1868 103.9512 -49.86627      135.2399 
1 1 1 -8  23 1  o 424.2586 48.45065 4.828565       1.022008  0.000000       0.000000  4.828565       1.022008  ?        ?        424.2586 48.45065 ?              ?        
1 1 1 -8  23 2  o 282.5793 53.27470 2.339421       0.7647039 2.295531       1.230651  2.367027       0.9760000 278.0090 81.89825 287.1497 68.15755 -9.140747      106.5494 
1 1 1 -8  23 3  o 367.9679 55.86865 4.143039       1.027425  2.553932       1.493860  5.569436       1.415316  289.4632 91.25313 446.4726 64.48325 -157.0094      111.7373 
1 1 1 -8  23 4  o 414.8453 52.21487 4.976259       1.054530  5.394974       1.491011  4.557185       1.491650  435.1854 70.05136 394.5052 77.44918 40.68018       104.4297 
1 1 1 -8  23 5  o 98.64999 48.52813 -1.635866      0.8492525 -1.635866      0.8492525 0.000000       0.000000  98.64999 48.52813 ?        ?        ?              ?        
1 1 1 -8  23 6  o 282.0884 85.27130 1.419798       2.304802  -1.147250      3.211303  4.146895       3.309898  228.5285 107.6036 335.6482 132.3111 -107.1197      170.5426 
1 1 1 -8  23 7  o 288.6595 71.49173 2.824694       1.403126  3.579871       1.607866  0.4129603      2.873361  335.2798 91.96062 242.0393 109.4875 93.24054       142.9835 
1 1 1 -8  23 8  o 250.3342 91.03328 1.880882       1.493072  0.000000       0.000000  1.880882       1.493072  ?        ?        250.3342 91.03328 ?              ?        
1 1 1 -8  23 9  o 361.1494 88.70942 4.192328       1.610212  0.000000       0.000000  4.192328       1.610212  ?        ?        361.1494 88.70942 ?              ?        
1 1 1 -8  23 10 o 328.4927 67.68320 4.013775       1.331583  5.158142       1.677774  2.066116       2.188806  401.2028 85.23158 255.7827 105.1648 145.4201       135.3664 
1 1 1 -8  23 11 o 334.2115 82.81309 4.321149       1.557766  6.132736       3.226473  3.770506       1.778828  349.0596 132.4809 319.3635 99.40247 29.69617       165.6262 
1 1 1 -8  23 12 o 388.8760 62.56883 5.443536       1.235371  6.848737       1.693008  3.843299       1.806683  464.3882 74.53112 313.3639 100.5214 151.0244       125.1377 
1 1 1 -8  23 13 o 194.0420 58.60360 0.3004454      1.144836  2.249864       1.642492  -1.541491      1.596571  243.9254 94.04375 144.1585 69.95212 99.76683       117.2072 
1 1 1 -8  23 14 o 355.6619 72.16751 5.190012       1.371196  5.345816       1.857599  5.003487       2.032512  370.4679 97.65730 340.8558 106.2810 29.61215       144.3350 
1 1 1 -8  23 15 o 210.5946 67.76763 1.407545       1.492173  1.417030       1.727267  1.379640       2.962565  206.2832 89.43857 214.9060 101.8359 -8.622757      135.5353 
1 1 1 -8  24 1  o 416.7777 62.85755 4.920352       1.285083  0.000000       0.000000  4.920352       1.285083  ?        ?        416.7777 62.85755 ?              ?        
1 1 1 -8  24 2  o 339.4782 70.02622 3.375125       1.163574  0.000000       0.000000  3.375125       1.163574  ?        ?        339.4782 70.02622 ?              ?        
1 1 1 -8  24 3  o 377.1696 54.27540 4.170999       0.9800775 4.696663       1.586804  3.846786       1.246190  391.9333 82.57629 362.4059 70.45872 29.52734       108.5508 
1 1 1 -8  24 4  o 268.4516 77.35854 1.363849       1.240960  0.8205193      1.345816  4.448667       3.206776  201.8579 82.66640 335.0453 130.7809 -133.1875      154.7171 
1 1 1 -8  24 5  o 258.3117 68.54166 2.139517       1.326169  2.884214       1.425793  -2.637630      3.611197  300.2292 88.06995 216.3943 105.0501 83.83482       137.0833 
1 1 1 -8  24 6  o 362.2560 90.95958 4.262106       1.665804  0.000000       0.000000  4.262106       1.665804  ?        ?        362.2560 90.95958 ?              ?        
1 1 1 -8  24 7  o 210.3269 57.81070 0.4986238      1.060843  -1.482221      1.499825  2.481763       1.500693  146.4926 70.25290 274.1611 91.83047 -127.6685      115.6214 
1 1 1 -8  24 8  o 253.2145 66.95036 2.110587       1.154870  2.107153       1.597162  2.114349       1.671863  253.0690 93.80009 253.3599 95.55598 -0.2909088     133.9007 
1 1 1 -8  24 9  o 263.9971 72.47090 2.588464       1.413656  2.961635       1.664479  1.622546       2.677901  285.6501 96.70683 242.3441 107.9626 43.30600       144.9418 
1 1 1 -8  24 10 o 179.4402 59.70660 -0.5053775     1.284345  -0.9526065     1.562582  0.4259499      2.254910  154.2298 73.33853 204.6505 94.23890 -50.42065      119.4132 
1 1 1 -8  24 11 o 260.5468 78.85941 2.718235       1.614288  4.781526       3.454523  2.141810       1.825909  283.3977 124.6011 237.6959 96.69433 45.70174       157.7188 
1 1 1 -8  24 12 o 209.2688 62.01836 1.402242       1.105943  1.146668       1.520347  1.689462       1.611728  199.7362 85.21082 218.8013 90.13448 -19.06511      124.0367 
1 1 1 -8  24 13 o 217.7663 63.55807 1.741727       1.149931  2.003371       1.481580  1.345295       1.823706  228.5555 88.98244 206.9771 90.77796 21.57837       127.1161 
1 1 1 -8  24 14 o 189.5129 59.38885 0.9496034      1.088015  0.7253736      1.352901  1.360139       1.830606  177.0944 77.91677 201.9314 89.64997 -24.83707      118.7777 
1 1 1 -8  25 1  o 244.8127 71.95482 1.830026       0.9509190 0.000000       0.000000  1.830026       0.9509190 ?        ?        244.8127 71.95482 ?              ?        
1 1 1 -8  25 2  o 157.7756 62.01318 0.5229588      0.7251107 0.000000       0.000000  0.5229588      0.7251107 ?        ?        157.7756 62.01318 ?              ?        
1 1 1 -8  25 3  o 243.1783 53.95356 1.614365       0.7418966 2.781942       1.248393  0.9768654      0.9224617 295.0545 81.07410 191.3020 71.21050 103.7525       107.9071 
1 1 1 -8  25 4  o 183.8081 51.34690 0.7974695      0.7073191 0.5379289      1.131141  0.9641169      0.9063862 177.9369 74.58495 189.6794 70.59108 -11.74243      102.6938 
1 1 1 -8  25 5  o 301.4440 76.58876 3.559742       1.476350  3.776466       1.654784  2.714255       3.268449  329.5154 94.37110 273.3726 120.6542 56.14285       153.1775 
1 1 1 -8  25 6  o 227.6511 79.84993 1.636405       1.138038  0.000000       0.000000  1.636405       1.138038  ?        ?        227.6511 79.84993 ?              ?        
1 1 1 -8  25 7  o 301.9480 65.44804 3.100285       1.058982  4.115073       1.792263  2.555973       1.312617  331.4534 99.12642 272.4426 85.48531 59.01083       130.8961 
1 1 1 -8  25 8  o 178.3658 54.66856 0.5304305      0.9116212 0.7254313      1.326673  0.3559906      1.254783  185.8021 79.44068 170.9296 75.12513 14.87248       109.3371 
1 1 1 -8  25 9  f 222.9485 61.58274 1.734697       0.9995331 1.970767       1.512640  1.551728       1.331693  231.4558 89.96611 214.4411 84.11800 17.01472       123.1655 
1 1 1 -8  25 10 o 224.5340 68.56401 1.555977       1.271703  0.8724701      1.484998  3.435919       2.462785  188.8339 82.39030 260.2341 109.6172 -71.40013      137.1280 
1 1 1 -8  25 11 o 200.7783 65.60452 1.013875       1.394641  -0.4695284E-03 3.557277  1.198102       1.516009  204.2706 100.2504 197.2860 84.65028 6.984589       131.2090 
1 1 1 -8  25 12 o 261.4889 72.83271 3.542545       1.502605  3.899834       1.793815  2.702196       2.751045  291.8042 100.3680 231.1735 105.5684 60.63068       145.6654 
1 1 1 -8  25 13 o 285.7639 71.76400 4.064520       1.329499  4.826082       1.897555  3.330204       1.863303  315.2909 103.1700 256.2368 99.78093 59.05411       143.5280 
1 1 1 -8  26 1  o 273.9613 64.36698 2.879257       1.031124  1.261613       2.929632  3.107983       1.101613  233.4221 107.4615 314.5004 70.88342 -81.07829      128.7340 
1 1 1 -8  26 2  o 347.8403 69.04001 5.099816       1.298999  3.426043       3.070220  5.464769       1.433639  274.7699 119.1873 420.9108 69.71710 -146.1409      138.0800 
1 1 1 -8  26 3  o 384.6210 76.78401 6.063485       1.403409  5.975008       1.517922  6.584396       3.683131  438.3858 70.80585 330.8561 136.2706 107.5296       153.5680 
1 1 1 -8  26 4  o 284.7266 58.32114 2.818619       0.8911873 2.614687       1.371553  2.967630       1.172407  269.9896 87.68195 299.4636 76.92397 -29.47400      116.6423 
1 1 1 -8  26 5  o 245.1226 71.89272 2.260305       1.315390  2.344906       1.403726  1.650880       3.767524  252.7981 88.68169 237.4470 113.1805 15.35109       143.7854 
1 1 1 -8  26 6  o 240.0657 71.22775 1.345576       1.019600  5.120553       2.873475  0.8018233      1.090563  301.3564 121.7628 178.7750 73.94181 122.5814       142.4555 
1 1 1 -8  26 7  o 239.7764 62.57666 2.126595       0.9764454 2.768926       1.605684  1.749664       1.230018  258.8828 94.36388 220.6700 82.21200 38.21281       125.1533 
1 1 1 -8  26 8  o 245.8882 60.80443 2.375771       0.9482284 2.000543       1.385296  2.706567       1.300694  226.9677 86.64813 264.8086 85.32770 -37.84087      121.6089 
1 1 1 -8  26 9  o 263.3956 60.47001 2.732321       0.9208283 2.884180       1.351640  2.600795       1.257903  268.4301 87.03382 258.3611 83.97382 10.06900       120.9400 
1 1 1 -8  26 10 o 269.3150 70.96172 2.840942       1.337761  1.072715       1.640124  6.355399       2.312261  190.4495 84.69051 348.1805 113.8850 -157.7309      141.9234 
1 1 1 -8  26 11 o 228.0713 60.39552 1.940000       1.036903  0.5887460      1.395258  3.606894       1.549673  170.5866 76.80937 285.5560 93.22444 -114.9694      120.7910 
1 1 1 -8  26 12 o 203.7389 61.60608 1.771421       1.106116  1.462115       1.419431  2.249669       1.765008  193.0217 82.33997 214.4561 91.65897 -21.43439      123.2122 
1 1 1 -8  27 1  o 198.8763 68.42240 -0.1125889     2.200675  0.4341201      2.815072  -0.9717671     3.529011  201.3330 96.47166 196.4197 97.05524 4.913300       136.8448 
1 1 1 -8  27 2  o 282.3411 53.13511 2.912479       0.8803779 1.368621       1.284666  4.279541       1.208873  201.6351 81.43465 363.0471 68.27707 -161.4120      106.2702 
1 1 1 -8  27 3  o 260.1000 58.43148 2.535529       0.8903589 3.235271       1.285268  1.889894       1.234576  295.5917 82.65846 224.6084 82.61071 70.98328       116.8630 
1 1 1 -8  27 4  o 146.2694 46.92274 -0.6889480E-01 0.7650771 0.5044307      1.108382  -0.5906752     1.057384  163.4087 71.24169 129.1301 61.08678 34.27858       93.84548 
1 1 1 -8  27 5  o 212.9360 60.46405 1.838967       1.156717  2.455523       1.232070  -2.744061      3.359116  250.8288 83.18439 175.0432 87.77222 75.78560       120.9281 
1 1 1 -8  27 6  o 157.7026 49.59231 0.3600466      0.7951157 0.6161144      1.165721  0.1372735      1.087298  166.7992 72.88106 148.6060 67.27511 18.19324       99.18462 
1 1 1 -8  27 7  o 164.8753 51.51524 0.5687402      0.8452492 0.3668411      1.306468  0.7140893      1.108505  162.1320 73.53863 167.6186 72.16198 -5.486664      103.0305 
1 1 1 -8  27 8  o 219.9063 50.36146 1.329373       0.9252150 -1.470981      1.371219  3.669858       1.253583  127.0671 62.33689 312.7455 79.11522 -185.6784      100.7229 
1 1 1 -8  27 9  o 166.8867 55.30400 0.1470760      1.244391  -4.610862      3.123157  1.044963       1.356736  152.9964 77.60181 180.7771 78.81681 -27.78065      110.6080 
1 1 1 -8  27 10 o 248.1172 58.35299 2.602195       0.9939154 1.065378       1.395106  4.186177       1.416352  178.8575 78.88904 317.3768 86.00469 -138.5193      116.7060 
1 1 1 -8  27 11 o 183.9404 63.68803 0.2643105      1.241092  5.782175       3.274330  -0.6614369     1.341168  233.9299 109.6725 133.9509 64.78110 99.97894       127.3761 
1 1 1 -8  28 1  o 141.2934 43.08641 0.1663118      0.6028552 0.9056132      0.8575622 -0.5560081     0.8476560 168.8051 67.09137 113.7817 54.07869 55.02337       86.17283 
1 1 1 -8  28 2  o 168.3104 49.22419 0.8657475      0.6870108 0.6705860      1.072696  1.001469       0.8945476 162.5974 70.49026 174.0234 68.72559 -11.42593      98.44838 
1 1 1 -8  28 3  o 205.7457 65.87651 0.5161219      0.8703406 6.055429       2.778033  -0.8675162E-01 0.9164796 280.6116 117.1965 130.8798 60.19841 149.7318       131.7530 
1 1 1 -8  28 4  o 173.2369 50.11248 0.5038239      0.8046659 -0.8740422     1.095549  2.117875       1.185733  121.5090 58.71022 224.9648 81.22900 -103.4558      100.2250 
1 1 1 -8  28 5  o 148.4157 47.50780 0.7616375E-01  0.7804003 -0.6189113     1.046320  0.9476158      1.171576  123.7531 59.16918 173.0783 74.34361 -49.32529      95.01559 
1 1 1 -8  28 6  o 164.2356 50.46891 0.7193035      0.8046393 1.091620       1.048899  0.1868755      1.254319  177.0893 72.80414 151.3820 69.91425 25.70737       100.9378 
1 1 1 -8  28 7  o 211.6377 57.38078 1.937886       0.9892776 2.936818       1.295579  0.5409885      1.532069  257.6035 85.29517 165.6719 76.77858 91.93167       114.7616 
1 1 1 -8  28 8  f 168.5082 84.84138 -1.236400      3.313625  0.000000       0.000000  -1.236400      3.313625  ?        ?        168.5082 84.84138 ?              ?        
1 1 1 -8  28 9  o 194.7390 56.93071 1.719921       0.9571341 0.9571726      1.378936  2.429061       1.329596  168.2348 75.99773 221.2432 84.78660 -53.00844      113.8614 
1 1 1 -8  28 10 o 172.1815 58.76614 1.135631       1.251140  2.858407       3.571401  0.8946251      1.335790  183.1262 91.63114 161.2368 73.60416 21.88934       117.5323 
1 1 1 -8  29 1  o 237.8659 57.52552 2.520730       0.8414305 2.126311       1.163201  2.953655       1.218660  217.5279 80.15989 258.2039 82.52960 -40.67609      115.0510 
1 1 1 -8  29 2  o 177.3672 75.01845 1.219980       1.161100  0.000000       0.000000  1.219980       1.161100  ?        ?        177.3672 75.01845 ?              ?        
1 1 1 -8  29 3  o 160.7731 72.35632 0.7148744      1.236448  0.7148744      1.236448  0.000000       0.000000  160.7731 72.35632 ?        ?        ?              ?        
1 1 1 -8  29 4  o 174.5824 52.36038 1.168501       0.8021688 1.077163       1.099862  1.272301       1.172494  170.9118 72.68388 178.2530 75.38895 -7.341202      104.7208 
1 1 1 -8  29 5  f 218.9269 69.41132 3.016909       1.368544  6.806852       3.765878  2.440236       1.468977  223.7133 108.2822 214.1405 86.87173 9.572891       138.8226 
1 1 1 -8  29 6  o 160.3608 49.52465 0.7727751      0.8086067 1.434955       1.085690  -0.5210769E-01 1.211753  182.7967 74.48398 137.9249 65.29091 44.87180       99.04931 
1 1 1 -8  29 7  o 224.0743 58.35686 2.631456       1.023297  3.973658       1.394102  1.063523       1.506778  282.1936 88.02612 165.9550 76.63874 116.2387       116.7137 
1 1 1 -8  29 8  o 190.2263 57.21948 1.904441       0.9957854 0.9613798      1.345696  3.045804       1.480433  158.7499 72.99063 221.7026 88.13991 -62.95274      114.4390 
1 1 1 -8  30 1  o 154.7261 69.56508 0.3791763      1.072927  -3.341784      3.184695  0.8555880      1.139545  ?        ?        154.7261 69.56508 ?              ?        
1 1 1 -8  30 2  o 151.8931 48.32148 0.7788282      0.7775127 0.8192049      1.028949  0.7250893      1.187061  152.6076 67.50800 151.1786 69.15585 1.428986       96.64295 
1 1 1 -8  30 3  o 129.0402 43.07116 0.2307774E-01  0.7050484 -0.8735078E-01 0.8788265 0.2225136      1.181039  120.1787 56.49471 137.9016 65.02957 -17.72290      86.14231 
1 1 1 -8  30 4  o 110.2395 53.09209 -0.6063961     0.8597138 -0.4673519     0.8782298 -3.799973      4.208918  110.2395 53.09209 ?        ?        ?              ?        
1 1 1 -8  30 5  o 140.9790 67.61207 0.4640081      1.299193  1.527278       3.662370  0.3109431      1.389564  ?        ?        140.9790 67.61207 ?              ?        
1 1 1 -7  0  1  o ?        ?        0.6505951      0.7303553 0.6505951      0.7303553 0.6505951      0.7303553 ?        ?        ?        ?        0.000000       0.000000 
1 1 1 -7  0  2  o ?        ?        323.3834       15.62948  323.3834       15.62948  323.3834       15.62948  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 -7  0  3  o 633.5670 32.92440 10.68289       1.474973  10.68289       1.474973  10.68289       1.474973  633.5670 46.56214 633.5670 46.56214 0.000000       0.000000 
1 1 1 -7  0  4  o 3717.485 63.37468 352.1624       16.84585  352.1624       16.84585  352.1624       16.84585  3717.485 89.62533 3717.485 89.62533 0.000000       0.000000 
1 1 1 -7  0  5  o 930.0159 32.18131 22.06675       2.131153  22.06675       2.131153  22.06675       2.131153  930.0159 45.51125 930.0159 45.51125 0.000000       0.000000 
1 1 1 -7  0  6  o 226.3754 61.14401 1.763947       0.9344019 1.763947       0.9344019 1.763947       0.9344019 226.3754 86.47069 226.3754 86.47069 0.000000       0.000000 
1 1 1 -7  0  7  o 1317.641 35.15632 44.17604       3.305927  44.17604       3.305927  44.17604       3.305927  1317.641 49.71855 1317.641 49.71855 0.000000       0.000000 
1 1 1 -7  0  8  o 494.0705 53.58702 6.619321       1.763051  6.619321       1.763051  6.619321       1.763051  494.0705 75.78349 494.0705 75.78349 0.000000       0.000000 
1 1 1 -7  0  9  o 1476.728 31.43273 55.44877       3.316575  55.44877       3.316575  55.44877       3.316575  1476.728 44.45259 1476.728 44.45259 0.000000       0.000000 
1 1 1 -7  0  10 o 810.3278 32.13205 16.80459       1.850817  16.80459       1.850817  16.80459       1.850817  810.3278 45.44158 810.3278 45.44158 0.000000       0.000000 
1 1 1 -7  0  11 o 2063.486 31.35364 108.0914       4.627380  108.0914       4.627380  108.0914       4.627380  2063.486 44.34074 2063.486 44.34074 0.000000       0.000000 
1 1 1 -7  0  12 o 1086.087 32.50449 30.07814       2.517293  30.07814       2.517293  30.07814       2.517293  1086.087 45.96828 1086.087 45.96828 0.000000       0.000000 
1 1 1 -7  0  13 o 1725.053 33.67816 75.73006       4.152410  75.73006       4.152410  75.73006       4.152410  1725.053 47.62811 1725.053 47.62811 0.000000       0.000000 
1 1 1 -7  0  14 o 178.7622 71.74627 1.084653       1.423431  1.084653       1.423431  1.084653       1.423431  178.7622 101.4645 178.7622 101.4645 0.000000       0.000000 
1 1 1 -7  0  15 o 1354.097 33.03926 46.81136       3.194515  46.81136       3.194515  46.81136       3.194515  1354.097 46.72457 1354.097 46.72457 0.000000       0.000000 
1 1 1 -7  0  16 o 108.3292 54.16389 -2.059441      1.714716  -2.059441      1.714716  -2.059441      1.714716  108.3292 76.59930 108.3292 76.59930 0.000000       0.000000 
1 1 1 -7  0  17 o 848.8232 42.95472 18.83653       2.579799  18.83653       2.579799  18.83653       2.579799  848.8232 60.74715 848.8232 60.74715 0.000000       0.000000 
1 1 1 -7  0  18 o 454.7437 101.1171 7.120194       2.891510  7.120194       2.891510  7.120194       2.891510  454.7437 143.0012 454.7437 143.0012 0.000000       0.000000 
1 1 1 -7  0  19 o 565.3887 76.83023 9.582104       2.778166  9.582104       2.778166  9.582104       2.778166  565.3887 108.6544 565.3887 108.6544 0.000000       0.000000 
1 1 1 -7  0  20 f 1267.632 42.22762 42.55270       3.813173  42.55270       3.813173  42.55270       3.813173  1267.632 59.71887 1267.632 59.71887 0.000000       0.000000 
1 1 1 -7  0  21 o 590.6213 63.58956 10.41128       2.504120  10.41128       2.504120  10.41128       2.504120  590.6213 89.92922 590.6213 89.92922 0.000000       0.000000 
1 1 1 -7  0  22 o 141.9889 67.69660 -0.1259616     1.990013  -0.1259616     1.990013  -0.1259616     1.990013  141.9889 95.73745 141.9889 95.73745 0.000000       0.000000 
1 1 1 -7  0  23 o 143.4627 71.86955 -1.655512      3.067676  -1.655512      3.067676  -1.655512      3.067676  143.4627 101.6389 143.4627 101.6389 0.000000       0.000000 
1 1 1 -7  1  1  o ?        ?        2.754968       0.6615644 3.558794       0.9175359 1.884597       0.9547605 ?        ?        ?        ?        ?              ?        
1 1 1 -7  1  2  o ?        ?        129.9956       5.104475  123.9389       7.212508  136.0735       7.225145  ?        ?        ?        ?        ?              ?        
1 1 1 -7  1  3  o 2154.667 44.21772 121.4459       4.823382  122.3402       6.823342  120.5526       6.819244  2162.839 62.31452 2146.495 62.75130 16.34448       88.43543 
1 1 1 -7  1  4  o 3377.235 58.73683 290.8804       10.04264  288.8764       14.20191  292.8848       14.20295  3365.515 83.35119 3388.956 82.78067 -23.44141      117.4737 
1 1 1 -7  1  5  o 2648.388 49.06493 178.0921       6.578586  178.9590       9.303823  177.2254       9.303229  2654.852 69.22092 2641.924 69.55524 12.92871       98.12985 
1 1 1 -7  1  6  o 804.7805 45.17592 16.53813       1.825104  16.80479       2.570912  16.26721       2.591383  811.4501 63.07657 798.1108 64.69003 13.33923       90.35184 
1 1 1 -7  1  7  o 1885.896 50.29676 91.88100       4.490375  85.88753       7.760323  94.89777       5.505687  1837.662 83.41238 1934.131 56.22662 -96.46924      100.5935 
1 1 1 -7  1  8  o 589.5278 43.50543 9.261137       1.164155  9.826148       1.415285  8.079037       2.047118  620.6689 45.35423 558.3866 74.25553 62.28235       87.01086 
1 1 1 -7  1  9  o 1268.205 32.60143 40.81595       2.062702  41.02856       3.205678  40.66573       2.694630  1270.672 49.83137 1265.739 42.05053 4.933228       65.20285 
1 1 1 -7  1  10 o 2118.499 35.98961 114.1866       3.848741  103.9083       5.432410  124.5450       5.453536  2022.308 53.05930 2214.690 48.63865 -192.3824      71.97922 
1 1 1 -7  1  11 f 1249.071 29.21854 39.78535       1.835362  41.83268       2.497274  37.38054       2.706523  1284.376 38.40522 1213.766 44.04466 70.61072       58.43708 
1 1 1 -7  1  12 o 1482.127 29.59399 55.64454       2.203900  56.59908       3.340251  54.90862       2.932899  1493.142 44.18697 1471.112 39.37929 22.03076       59.18798 
1 1 1 -7  1  13 o 1030.449 31.30244 27.01120       1.629715  24.92799       2.296053  29.12634       2.313578  990.2267 45.79981 1070.672 42.68194 -80.44495      62.60488 
1 1 1 -7  1  14 o 1852.607 34.73804 87.45657       3.256857  89.27209       4.575529  85.59204       4.636867  1872.302 48.27048 1832.912 49.96885 39.39014       69.47607 
1 1 1 -7  1  15 o 266.1302 63.26440 1.705924       1.014762  1.337897       1.404636  2.107692       1.467613  245.9309 88.46001 286.3296 90.46748 -40.39864      126.5288 
1 1 1 -7  1  16 o 836.5991 45.08461 18.39228       1.864596  15.84723       2.746238  20.56895       2.539726  779.7655 70.32159 893.4326 56.43903 -113.6671      90.16923 
1 1 1 -7  1  17 f 1394.564 40.28402 50.17591       2.837671  54.91574       4.075432  45.71547       3.953492  1459.297 55.16278 1329.830 58.72204 129.4677       80.56805 
1 1 1 -7  1  18 o 632.0743 72.64563 11.17286       2.241569  11.53262       3.123202  10.79068       3.219088  644.9128 98.80499 619.2359 106.5229 25.67688       145.2913 
1 1 1 -7  1  19 o 260.1221 71.73212 1.361670       1.357798  1.202508       1.829657  1.556769       2.025707  250.2971 98.46592 269.9471 104.3382 -19.65002      143.4642 
1 1 1 -7  1  20 o 401.8389 69.67735 4.719738       1.406444  4.690761       2.007634  4.747665       1.970898  400.1528 99.51646 403.5249 97.55103 -3.372101      139.3547 
1 1 1 -7  1  21 o 832.4303 45.70591 18.75753       1.908044  20.19968       2.772853  17.46053       2.629606  863.5286 63.87917 801.3320 65.38785 62.19659       91.41181 
1 1 1 -7  1  22 o 421.7604 71.17986 5.574452       1.555661  7.701781       2.236047  3.578846       2.165713  509.0765 90.05374 334.4443 110.2570 174.6321       142.3597 
1 1 1 -7  1  23 o 316.9544 91.43961 2.046637       2.468779  -0.9757582     3.187377  6.578829       3.903120  232.6798 108.8056 401.2289 146.9903 -168.5491      182.8792 
1 1 1 -7  2  1  o ?        ?        150.0111       6.601710  137.8826       11.40441  156.1236       8.096111  ?        ?        ?        ?        ?              ?        
1 1 1 -7  2  2  o ?        ?        49.08216       2.499818  50.01737       3.537672  48.14949       3.532886  ?        ?        ?        ?        ?              ?        
1 1 1 -7  2  3  o 3513.117 61.14199 318.2887       10.87466  318.1458       15.37977  318.4315       15.37842  3512.310 86.49149 3513.923 86.44418 -1.612549      122.2840 
1 1 1 -7  2  4  o 5515.641 89.35011 781.6555       24.94979  787.0486       35.28611  776.2633       35.28255  5534.949 125.9234 5496.333 126.7953 38.61523       178.7002 
1 1 1 -7  2  5  o 2103.998 52.54925 113.1556       5.260830  114.5874       6.445521  110.2982       9.105401  2125.295 59.90391 2082.702 86.35518 42.59326       105.0985 
1 1 1 -7  2  6  o 3104.717 66.73371 244.5058       9.902731  243.0636       12.13021  247.3875       17.14668  3093.542 77.45129 3115.892 108.6961 -22.34961      133.4674 
1 1 1 -7  2  7  o 1566.021 52.49774 62.20531       4.162189  0.000000       0.000000  62.20531       4.162189  ?        ?        1566.021 52.49774 ?              ?        
1 1 1 -7  2  8  o 2138.636 52.03810 116.2975       5.319818  115.8129       6.520540  117.2622       9.199765  2134.264 60.34645 2143.008 84.79482 -8.743896      104.0762 
1 1 1 -7  2  9  o 770.7877 32.44794 15.22289       1.236725  14.70022       1.926399  15.58934       1.613019  758.8937 50.42670 782.6816 40.84879 -23.78796      64.89589 
1 1 1 -7  2  10 o 678.4330 32.36522 11.67017       1.101266  12.50576       1.643825  10.98975       1.483357  700.3498 46.62795 656.5161 44.89839 43.83368       64.73045 
1 1 1 -7  2  11 o 1462.032 31.32591 54.17834       2.317355  56.14266       3.346365  52.36836       3.212220  1487.455 44.43711 1436.608 44.16552 50.84705       62.65181 
1 1 1 -7  2  12 o 2043.850 35.70361 106.2134       3.690071  112.4971       5.231733  99.99261       5.205463  2104.253 49.10933 1983.446 51.83884 120.8068       71.40723 
1 1 1 -7  2  13 o 2072.539 40.23598 108.9291       4.159304  112.5831       6.509982  106.4086       5.406749  2100.661 61.21250 2044.417 52.23760 56.24463       80.47196 
1 1 1 -7  2  14 o 956.8948 35.18961 22.53861       1.666605  19.47099       2.111617  27.60628       2.714053  873.1067 47.95470 1040.683 51.51292 -167.5763      70.37922 
1 1 1 -7  2  15 o 245.0565 59.80109 1.220592       1.062353  2.425183       1.308417  -1.109857      1.819894  301.4372 83.07137 188.6758 86.04552 112.7613       119.6022 
1 1 1 -7  2  16 f 880.0811 38.62910 19.92868       1.686425  19.85043       2.200816  20.03997       2.624720  879.2790 49.64238 880.8831 59.19851 -1.604065      77.25819 
1 1 1 -7  2  17 o 606.9270 45.71367 9.764463       1.363804  10.52600       1.842689  8.842028       2.028026  635.7376 57.88615 578.1164 70.76829 57.62122       91.42734 
1 1 1 -7  2  18 o 917.9678 62.04244 22.77080       2.843598  21.16258       3.941896  24.51574       4.106035  882.8541 89.42640 953.0815 86.02312 -70.22742      124.0849 
1 1 1 -7  2  19 f 895.9805 52.45346 21.11307       2.253846  20.12895       2.780585  22.99822       3.848465  872.7228 63.36478 919.2381 83.60841 -46.51532      104.9069 
1 1 1 -7  2  20 o 240.0237 69.95406 0.8588390      1.372322  0.9782279      1.861908  0.7168429      2.030553  240.7428 97.75402 239.3046 100.0921 1.438232       139.9081 
1 1 1 -7  2  21 o 544.8753 66.75890 9.085470       1.712338  11.56366       2.336587  6.210611       2.516649  645.5601 72.76169 444.1905 111.9497 201.3696       133.5178 
1 1 1 -7  2  22 o 498.1846 62.84452 7.362111       1.526783  7.300833       2.142699  7.425314       2.176082  496.3225 88.51977 500.0467 89.22997 -3.724213      125.6890 
1 1 1 -7  2  23 o 292.4493 89.66151 1.983914       2.394859  1.278205       3.057333  3.104502       3.852591  268.1646 117.5774 316.7340 135.3968 -48.56949      179.3230 
1 1 1 -7  3  1  f ?        ?        279.0538       9.696875  283.6833       13.71754  274.4298       13.70937  ?        ?        ?        ?        ?              ?        
1 1 1 -7  3  2  f 2134.730 43.90166 117.7940       4.744486  119.1050       6.713494  116.4859       6.705945  2146.822 61.76876 2122.638 62.40226 24.18359       87.80331 
1 1 1 -7  3  3  o 3747.668 64.04926 359.5911       12.15162  355.2172       17.18501  363.9649       17.18497  3724.616 91.13487 3770.721 90.02038 -46.10547      128.0985 
1 1 1 -7  3  4  o 3827.966 64.89734 373.3859       12.57660  377.0702       17.78842  369.7036       17.78356  3846.968 91.33458 3808.964 92.22068 38.00439       129.7947 
1 1 1 -7  3  5  o 1726.275 38.67058 75.57992       3.378796  73.61478       4.779184  77.54366       4.777493  1703.797 55.40541 1748.753 53.96199 -44.95569      77.34116 
1 1 1 -7  3  6  o 3650.845 76.70421 341.1251       13.33577  343.9782       16.33707  335.4276       23.08652  3678.093 87.73398 3623.597 125.8447 54.49609       153.4084 
1 1 1 -7  3  7  f 3040.438 76.59587 235.1301       11.79031  0.000000       0.000000  235.1301       11.79031  ?        ?        3040.438 76.59587 ?              ?        
1 1 1 -7  3  8  o 1975.696 50.43920 98.54696       4.774858  96.66800       5.846099  102.3121       8.275628  1949.702 59.22625 2001.689 81.66212 -51.98706      100.8784 
1 1 1 -7  3  9  o 2278.894 36.77764 132.0333       4.242744  130.8222       6.024987  133.2246       5.975611  2268.443 52.46198 2289.345 51.55697 -20.90259      73.55528 
1 1 1 -7  3  10 o 1792.414 36.50062 80.73943       3.252439  86.03130       5.178532  77.29218       4.179636  1839.918 55.59357 1744.909 47.31316 95.00879       73.00124 
1 1 1 -7  3  11 o 2506.051 39.25246 159.5837       4.974764  169.6355       7.092957  149.8517       6.979179  2583.939 54.22025 2428.163 56.77313 155.7756       78.50492 
1 1 1 -7  3  12 o 821.0839 32.68905 17.26314       1.344257  14.99931       1.915704  19.45908       1.886759  766.6708 49.62160 875.4970 42.56750 -108.8262      65.37811 
1 1 1 -7  3  13 o 1005.795 40.35113 25.94039       2.039966  27.10505       2.821794  24.66529       2.952542  1030.063 54.30189 981.5266 59.70057 48.53632       80.70226 
1 1 1 -7  3  14 o 546.9748 46.38182 7.865228       1.207423  8.157474       1.531016  7.384428       1.963759  562.8741 54.40442 531.0755 75.13490 31.79858       92.76365 
1 1 1 -7  3  15 o 896.1326 37.82185 20.64580       1.660312  20.81515       2.119859  20.37706       2.670398  902.3200 46.56351 889.9453 59.61383 12.37476       75.64370 
1 1 1 -7  3  16 o 822.2092 39.36613 17.08818       1.573238  16.15589       1.960848  18.77266       2.635739  792.9304 49.08693 851.4880 61.55681 -58.55762      78.73225 
1 1 1 -7  3  17 o 566.0829 52.21225 8.651720       1.401356  9.068647       1.786501  7.984862       2.259384  588.6225 60.82633 543.5434 84.88011 45.07910       104.4245 
1 1 1 -7  3  18 o 1574.186 52.60701 64.87235       3.938540  68.05088       6.883152  63.32506       4.802429  1590.279 85.81060 1558.094 60.88127 32.18506       105.2140 
1 1 1 -7  3  19 o 1125.379 49.03555 33.64550       2.645599  33.51192       3.279661  33.89435       4.476448  1130.742 57.47960 1120.017 79.46091 10.72510       98.07110 
1 1 1 -7  3  20 o 780.7681 46.80241 16.36497       1.831129  16.55829       2.647387  16.18765       2.535454  784.4536 67.31222 777.0826 65.04559 7.370911       93.60483 
1 1 1 -7  3  21 o 324.8961 73.03765 3.221638       1.390996  2.323860       2.031135  4.014594       1.908881  287.8370 105.9468 361.9552 100.5647 -74.11816      146.0753 
1 1 1 -7  3  22 o 402.9002 71.69685 5.174785       1.505176  6.587104       2.101526  3.687150       2.156833  467.6838 92.03379 338.1166 109.9615 129.5671       143.3937 
1 1 1 -7  3  23 o 367.7784 79.26015 3.855885       1.728137  8.000587       2.891187  1.551937       2.155588  481.3025 119.2605 254.2544 104.4299 227.0481       158.5203 
1 1 1 -7  4  1  o 2337.911 55.84855 139.0035       6.240965  143.8768       10.85551  136.5975       7.627534  2363.332 90.72815 2312.490 65.15092 50.84106       111.6971 
1 1 1 -7  4  2  f 4215.187 87.43834 459.3821       17.56384  460.1721       30.45863  458.9886       21.49812  4202.563 143.1570 4227.811 100.4387 -25.24805      174.8767 
1 1 1 -7  4  3  o 621.3076 31.80552 9.838796       0.9930938 9.400582       1.393480  10.29108       1.415677  607.1108 45.67122 635.5043 44.27759 -28.39343      63.61105 
1 1 1 -7  4  4  o 1690.604 37.95610 72.48595       3.248507  73.42889       4.598091  71.54629       4.590086  1701.599 53.37485 1679.609 53.97951 21.98987       75.91220 
1 1 1 -7  4  5  o 1493.392 45.02874 57.24768       3.192880  58.44416       3.921483  54.89455       5.499453  1518.346 51.01476 1468.438 74.21485 49.90808       90.05748 
1 1 1 -7  4  6  o 924.3230 38.79551 21.17813       1.727899  19.92434       2.122367  23.64280       2.975689  885.2875 47.52735 963.3585 61.33120 -78.07092      77.59101 
1 1 1 -7  4  7  o 1216.343 48.58618 37.53582       2.991937  0.000000       0.000000  37.53582       2.991937  ?        ?        1216.343 48.58618 ?              ?        
1 1 1 -7  4  8  o 2314.169 45.46341 136.4659       5.315858  125.7556       7.474538  147.4276       7.561738  2221.760 66.45132 2406.578 62.06376 -184.8179      90.92683 
1 1 1 -7  4  9  o 1054.365 29.13121 28.21289       1.553450  28.25256       2.248544  28.17666       2.148677  1055.014 42.09782 1053.717 40.27758 1.296387       58.26242 
1 1 1 -7  4  10 o 339.2780 49.20434 3.344208       0.7862799 2.006848       1.306347  4.103925       0.9846007 279.6023 84.85738 398.9537 49.83466 -119.3514      98.40868 
1 1 1 -7  4  11 o 1020.790 33.18455 26.51371       1.670349  26.36153       2.665630  26.61210       2.143338  1017.391 51.92500 1024.189 41.33583 -6.798035      66.36909 
1 1 1 -7  4  12 o 2532.352 58.63649 169.0654       6.426028  173.9020       7.435815  154.7969       12.77162  2613.984 56.18780 2450.720 102.9363 163.2637       117.2730 
1 1 1 -7  4  13 o 483.7529 57.23858 6.435493       1.298068  4.975709       2.021275  7.460127       1.693424  430.7665 95.21587 536.7394 63.55279 -105.9729      114.4772 
1 1 1 -7  4  14 o 444.5726 49.11010 5.236515       1.056930  5.631811       1.427942  4.757530       1.571848  465.1805 62.18930 423.9648 76.02434 41.21573       98.22021 
1 1 1 -7  4  15 o 321.7173 63.35286 2.710525       1.053950  2.414389       1.356491  3.161602       1.674161  300.9034 85.19148 342.5311 93.79099 -41.62775      126.7057 
1 1 1 -7  4  16 o 1424.487 36.38540 51.65451       2.572430  50.14107       3.303848  53.98466       4.099486  1399.849 46.61817 1449.126 55.87785 -49.27686      72.77079 
1 1 1 -7  4  17 o 440.7413 59.88443 5.620167       1.246553  6.757171       1.616048  3.949792       1.958755  505.8387 64.57786 375.6440 100.8676 130.1947       119.7689 
1 1 1 -7  4  18 o 630.6692 55.79283 10.94495       1.693844  9.337085       2.553026  12.20923       2.263871  582.4888 89.43153 678.8495 66.73351 -96.36066      111.5857 
1 1 1 -7  4  19 o 481.5663 69.18187 6.814344       1.611120  7.876506       2.139748  5.423865       2.448215  534.9148 81.59548 428.2178 111.7439 106.6970       138.3637 
1 1 1 -7  4  20 o 262.3341 71.43535 1.552790       1.361574  2.086640       1.852839  0.9260544      2.007569  280.9351 101.5243 243.7331 100.5229 37.20193       142.8707 
1 1 1 -7  4  21 f 905.9401 45.13785 22.32034       2.055388  22.17886       2.848167  22.47410       2.969119  904.1214 62.60894 907.7587 65.03708 -3.637268      90.27570 
1 1 1 -7  4  22 o 281.4012 80.78545 1.780785       1.667486  3.218377       3.056895  1.171831       1.989552  320.6374 126.9121 242.1651 99.99245 78.47227       161.5709 
1 1 1 -7  4  23 o 332.0503 82.04662 3.873685       1.787371  2.473859       2.786487  4.852284       2.329821  289.2999 118.7678 374.8007 113.2289 -85.50079      164.0932 
1 1 1 -7  5  1  o 1542.381 47.10685 61.51574       3.413522  63.26710       4.162313  57.91833       5.965430  1578.788 52.07476 1505.975 78.51396 72.81274       94.21371 
1 1 1 -7  5  2  o 297.1535 51.91757 2.255033       0.7052839 2.188728       0.8186134 2.446009       1.389292  288.5045 58.05602 305.8025 86.08854 -17.29794      103.8351 
1 1 1 -7  5  3  o 1424.812 44.12727 51.46385       2.981189  51.96265       5.217706  51.22209       3.632497  1428.366 72.38985 1421.259 50.48340 7.107300       88.25455 
1 1 1 -7  5  4  o 1193.143 40.42311 35.28957       2.303969  38.80014       4.049981  33.60983       2.801459  1234.801 65.01376 1151.484 48.05544 83.31604       80.84623 
1 1 1 -7  5  5  o 3255.447 69.76958 270.4226       10.83326  271.6567       13.27774  267.9651       18.73623  3269.730 80.21001 3241.163 114.1820 28.56738       139.5392 
1 1 1 -7  5  6  o 450.0461 33.88720 5.195241       0.7590891 5.166047       1.101358  5.221659       1.047681  448.6588 49.30028 451.4334 46.50648 -2.774597      67.77441 
1 1 1 -7  5  7  o 2423.549 65.69427 149.4234       8.060515  0.000000       0.000000  149.4234       8.060515  ?        ?        2423.549 65.69427 ?              ?        
1 1 1 -7  5  8  o 2209.794 44.24273 124.3773       4.949235  126.5914       7.014054  122.1819       6.984590  2229.473 62.14172 2190.115 62.99270 39.35718       88.48545 
1 1 1 -7  5  9  o 2269.872 41.47662 132.3884       4.641393  125.0263       7.349080  137.2733       5.986375  2215.439 65.52235 2324.304 50.87300 -108.8652      82.95324 
1 1 1 -7  5  10 o 1005.424 32.51920 25.88887       1.609950  24.76765       2.551520  26.63055       2.075208  986.2003 51.28036 1024.649 40.00396 -38.44836      65.03839 
1 1 1 -7  5  11 o 1829.580 40.96409 85.13489       3.793337  82.67933       5.354525  87.60899       5.374710  1802.986 58.66040 1856.175 57.19427 -53.18896      81.92818 
1 1 1 -7  5  12 o 788.0939 52.52496 15.87194       2.083687  15.87194       2.083687  0.000000       0.000000  788.0939 52.52496 ?        ?        ?              ?        
1 1 1 -7  5  13 o 1326.661 38.78127 44.69198       2.597847  49.47556       3.803358  40.50841       3.556840  1393.089 53.92679 1260.233 55.74807 132.8562       77.56253 
1 1 1 -7  5  14 o 835.3170 37.02513 17.68419       1.515885  17.08258       1.918756  18.68325       2.472646  817.5740 46.54891 853.0599 57.59029 -35.48590      74.05026 
1 1 1 -7  5  15 o 1117.006 37.76552 32.44236       2.042898  33.77269       2.582029  30.21572       3.340473  1150.783 44.31840 1083.230 61.16221 67.55334       75.53104 
1 1 1 -7  5  16 o 1543.418 37.52479 60.67848       2.859580  58.88611       3.636755  63.58147       4.628312  1516.141 47.37954 1570.695 58.20325 -54.55347      75.04958 
1 1 1 -7  5  17 o 1181.324 36.64607 35.39945       2.148620  33.13216       2.742773  39.00105       3.456878  1134.867 47.73766 1227.781 55.61343 -92.91333      73.29214 
1 1 1 -7  5  18 o 1126.653 55.88305 35.24950       2.900297  30.44115       5.018031  37.66150       3.554048  1051.670 95.28211 1201.636 58.42072 -149.9652      111.7661 
1 1 1 -7  5  19 o 1327.036 58.66295 48.08790       3.909935  51.84137       5.522438  44.31522       5.536556  1383.404 79.17818 1270.668 86.58049 112.7360       117.3259 
1 1 1 -7  5  20 o 651.0106 61.70835 12.24043       1.852649  10.98969       3.089719  12.94257       2.314981  610.5207 103.6697 691.5006 66.96474 -80.97992      123.4167 
1 1 1 -7  5  21 o 244.3104 69.37234 0.2282903      1.381424  -1.370202      1.712438  3.206915       2.337586  167.2150 78.68639 321.4057 114.2740 -154.1907      138.7447 
1 1 1 -7  5  22 o 383.7390 75.82291 4.844786       1.553678  5.530479       2.097525  4.011220       2.312660  419.7164 100.1140 347.7615 113.9019 71.95490       151.6458 
1 1 1 -7  5  23 o 216.6659 97.17259 0.1371510      2.208607  0.000000       0.000000  0.1371510      2.208607  ?        ?        216.6659 97.17259 ?              ?        
1 1 1 -7  6  1  o 2508.583 59.37488 161.1400       7.068960  163.1875       8.640623  156.9962       12.29245  2535.027 67.32539 2482.140 97.82023 52.88721       118.7498 
1 1 1 -7  6  2  o 2075.353 42.25493 109.2815       4.439607  110.1652       6.283622  108.4006       6.273494  2083.746 59.56370 2066.959 59.95066 16.78687       84.50986 
1 1 1 -7  6  3  o 871.0117 31.72035 19.26015       1.395088  20.13539       1.978415  18.39452       1.967533  891.3530 43.84137 850.6703 45.85474 40.68268       63.44070 
1 1 1 -7  6  4  o 1211.400 47.57958 37.19729       2.918043  37.19729       2.918043  0.000000       0.000000  1211.400 47.57958 ?        ?        ?              ?        
1 1 1 -7  6  5  o 2395.198 92.82507 146.0564       11.25616  146.0564       11.25616  0.000000       0.000000  2395.198 92.82507 ?        ?        ?              ?        
1 1 1 -7  6  6  o 1962.182 56.34415 97.75549       5.597214  0.000000       0.000000  97.75549       5.597214  ?        ?        1962.182 56.34415 ?              ?        
1 1 1 -7  6  7  o 2114.577 60.90838 113.7778       6.520549  0.000000       0.000000  113.7778       6.520549  ?        ?        2114.577 60.90838 ?              ?        
1 1 1 -7  6  8  o 962.3330 42.80652 24.18629       1.930543  22.13008       3.340361  25.21757       2.365640  928.3774 71.62340 996.2886 46.90076 -67.91113      85.61304 
1 1 1 -7  6  9  o 2559.364 45.25117 168.2556       5.715940  159.6306       9.034815  174.0117       7.380816  2502.444 71.31342 2616.284 55.72316 -113.8403      90.50234 
1 1 1 -7  6  10 o 796.6061 34.21895 16.25265       1.354647  15.64397       2.072460  16.70670       1.789958  782.9920 52.58633 810.2203 43.79983 -27.22827      68.43790 
1 1 1 -7  6  11 o 432.6742 50.59149 5.066001       1.037534  3.580632       1.508040  6.401021       1.429682  367.0278 83.09158 498.3206 57.73895 -131.2929      101.1830 
1 1 1 -7  6  12 o 2021.384 61.75095 104.2412       6.319402  104.2412       6.319402  0.000000       0.000000  2021.384 61.75095 ?        ?        ?              ?        
1 1 1 -7  6  13 o 518.7028 49.80011 7.119363       1.243627  5.535163       1.765268  8.680393       1.752312  457.6659 79.04453 579.7396 60.59839 -122.0737      99.60021 
1 1 1 -7  6  14 o 1284.209 34.99796 42.13967       2.235680  42.45481       2.909606  41.68541       3.493279  1291.021 44.51609 1277.397 54.01616 13.62476       69.99592 
1 1 1 -7  6  15 o 1188.872 37.42794 36.93940       2.152481  38.94535       2.726765  33.62258       3.506287  1235.519 43.59277 1142.224 60.85288 93.29529       74.85588 
1 1 1 -7  6  16 o 577.4212 52.04926 8.865057       1.477291  9.762682       2.074605  7.941710       2.104118  609.3102 68.43688 545.5322 78.44038 63.77795       104.0985 
1 1 1 -7  6  17 o 231.1783 63.91676 0.4953175      1.254942  -1.840047      1.989681  2.038102       1.617181  181.3657 85.17705 280.9909 95.32198 -99.62520      127.8335 
1 1 1 -7  6  18 o 397.9433 106.1538 4.587972       2.178120  0.000000       0.000000  4.587972       2.178120  ?        ?        397.9433 106.1538 ?              ?        
1 1 1 -7  6  19 o 237.1484 72.04060 -0.5516145     1.655020  1.933033       2.515476  -2.448123      2.197684  293.8312 115.4984 180.4657 86.13658 113.3655       144.0812 
1 1 1 -7  6  20 o 644.8876 48.87761 11.11801       1.546568  8.975803       2.040304  14.01128       2.371147  570.6602 72.23868 719.1151 65.86089 -148.4550      97.75522 
1 1 1 -7  6  21 o 328.0186 61.82825 3.376749       1.224033  5.221952       1.610730  0.8547616      1.883094  425.9796 77.54475 230.0576 96.32104 195.9220       123.6565 
1 1 1 -7  6  22 o 289.7509 84.07105 1.688549       1.740779  0.8072653      2.005919  4.376860       3.503445  230.3647 98.06718 349.1371 136.5818 -118.7724      168.1421 
1 1 1 -7  6  23 f 196.5185 89.04813 -0.1831260     1.910077  0.000000       0.000000  -0.1831260     1.910077  ?        ?        196.5185 89.04813 ?              ?        
1 1 1 -7  7  1  o 218.1812 52.27355 1.165609       0.6348166 1.351584       0.7103401 0.4278779      1.414775  226.9220 60.66260 209.4403 85.14777 17.48169       104.5471 
1 1 1 -7  7  2  o 1589.660 37.86829 64.08303       3.047388  65.07015       4.311710  63.09779       4.307608  1601.912 53.16518 1577.407 53.93972 24.50476       75.73658 
1 1 1 -7  7  3  o 2253.260 54.26952 128.4397       5.864356  127.2951       7.202838  130.6905       10.10012  2239.710 63.52260 2266.810 88.00910 -27.10010      108.5390 
1 1 1 -7  7  4  o 3484.558 73.10553 309.9013       12.16283  310.5745       14.91498  308.5650       21.01429  3494.380 84.30804 3474.735 119.4564 19.64526       146.2111 
1 1 1 -7  7  5  o 1373.973 43.90213 49.12453       2.852393  51.40466       3.517203  44.74356       4.875309  1423.538 48.80280 1324.407 72.99229 99.13062       87.80426 
1 1 1 -7  7  6  o 1235.936 49.34832 39.02654       3.075043  38.44876       4.345727  39.60593       4.351814  1226.670 70.26885 1245.202 69.30595 -18.53247      98.69663 
1 1 1 -7  7  7  o 891.5901 42.67780 20.60457       1.809964  21.21157       2.243625  19.47337       3.062845  912.3345 48.75146 870.8456 70.06336 41.48895       85.35561 
1 1 1 -7  7  8  o 1458.906 44.62392 53.18530       3.134018  57.53875       5.428608  51.00898       3.838256  1501.528 71.41203 1416.283 53.53035 85.24475       89.24783 
1 1 1 -7  7  9  o 1382.097 41.85180 48.20060       2.548375  49.55264       5.068212  47.74310       2.948164  1392.492 72.13899 1371.701 42.45301 20.79102       83.70360 
1 1 1 -7  7  10 o 3305.288 57.94162 279.0924       9.695127  275.4832       13.71627  282.6961       13.70570  3283.724 82.50601 3326.851 81.37373 -43.12720      115.8832 
1 1 1 -7  7  11 o 2185.090 43.95613 121.6773       4.861364  125.1045       6.884894  118.2696       6.865162  2215.961 61.36934 2154.218 62.94735 61.74268       87.91226 
1 1 1 -7  7  12 o 2130.679 62.50701 115.9464       6.742646  115.9464       6.742646  0.000000       0.000000  2130.679 62.50701 ?        ?        ?              ?        
1 1 1 -7  7  13 o 1745.214 53.89977 79.46773       4.322728  75.95896       7.871992  80.98254       5.172344  1710.046 91.25693 1780.383 57.38393 -70.33752      107.7995 
1 1 1 -7  7  14 o 349.2768 58.32605 3.794497       1.225545  -0.4546316     2.120001  5.927211       1.501940  222.0377 97.61697 476.5160 63.86423 -254.4783      116.6521 
1 1 1 -7  7  15 o 654.9485 55.93592 10.57456       1.735523  13.92202       3.061249  8.989028       2.106821  725.2202 84.98830 584.6768 72.74819 140.5435       111.8718 
1 1 1 -7  7  16 o 302.8527 56.08308 2.813817       1.025606  4.128192       1.230986  -0.1692881     1.854504  394.1276 63.87893 211.5778 92.19941 182.5498       112.1662 
1 1 1 -7  7  17 o 835.5995 60.27340 17.17144       1.812067  16.44334       1.958857  21.49059       4.770957  796.8683 48.78981 874.3308 110.2320 -77.46252      120.5468 
1 1 1 -7  7  18 o 279.1118 76.25434 1.645814       1.431983  2.024795       2.608565  1.482347       1.713201  301.7716 117.9091 256.4521 96.72821 45.31946       152.5087 
1 1 1 -7  7  19 o 263.1877 66.30657 1.621170       1.233810  2.818107       1.626720  0.8897300E-06  1.893178  313.5172 94.59062 212.8584 92.94547 100.6588       132.6131 
1 1 1 -7  7  20 o 288.5288 67.73286 2.418130       1.261557  3.406440       1.600466  0.7965094      2.050099  338.9959 91.24026 238.0617 100.1308 100.9343       135.4657 
1 1 1 -7  7  21 o 295.1363 60.48900 2.608982       1.247577  4.578760       1.563249  -0.8462786     2.070428  395.2219 80.85288 195.0508 89.99160 200.1711       120.9780 
1 1 1 -7  7  22 o 293.1164 83.45265 2.521229       1.684451  2.779761       1.821247  0.9916049      4.430002  297.0746 101.1557 289.1582 132.7589 7.916351       166.9053 
1 1 1 -7  8  1  o 1584.206 54.06246 63.65082       4.336020  63.65082       4.336020  0.000000       0.000000  1584.206 54.06246 ?        ?        ?              ?        
1 1 1 -7  8  2  o 998.3581 46.67661 25.26729       2.359224  25.26729       2.359224  0.000000       0.000000  998.3581 46.67661 ?        ?        ?              ?        
1 1 1 -7  8  3  o 1740.826 46.76472 76.99245       3.903632  77.06412       4.805484  76.85342       6.693473  1742.915 54.45994 1738.736 76.03860 4.179199       93.52943 
1 1 1 -7  8  4  o 2634.515 59.73207 177.0559       7.522649  177.5022       9.236592  176.1768       12.96454  2642.287 69.04754 2626.743 97.48908 15.54395       119.4641 
1 1 1 -7  8  5  o 1660.541 34.72198 69.76114       2.864052  71.25366       4.531491  68.76834       3.695830  1674.830 53.44251 1646.253 44.34368 28.57678       69.44396 
1 1 1 -7  8  6  o 1106.299 31.74297 31.22386       1.725764  30.47566       2.781944  31.69190       2.200305  1095.033 50.18080 1117.565 38.88897 -22.53223      63.48594 
1 1 1 -7  8  7  o 1883.437 56.09753 97.02372       4.802572  75.57238       8.371254  107.5478       5.863468  1711.310 97.02164 2055.564 56.34298 -344.2545      112.1951 
1 1 1 -7  8  8  o 649.2651 50.07215 12.16360       1.386192  7.968967       2.410495  14.23617       1.694389  551.0495 89.47251 747.4808 44.98388 -196.4313      100.1443 
1 1 1 -7  8  9  o 1724.526 48.25033 75.41723       3.995489  74.69420       4.913895  76.82786       6.863642  1714.064 56.62592 1734.989 78.14015 -20.92529      96.50066 
1 1 1 -7  8  10 f 1306.554 45.27877 43.89797       2.797093  44.57387       3.420029  42.53256       4.860942  1324.395 51.00687 1288.714 74.82624 35.68066       90.55753 
1 1 1 -7  8  11 o 1621.246 46.61510 66.72019       3.624205  68.31672       6.248811  65.91093       4.448905  1633.610 75.55537 1608.883 54.61918 24.72766       93.23019 
1 1 1 -7  8  12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -7  8  13 o 719.7327 71.20349 12.68046       2.331852  16.63778       4.417366  11.15170       2.745561  788.0909 114.0287 651.3745 85.30653 136.7165       142.4070 
1 1 1 -7  8  14 o 1514.556 46.75978 61.50766       3.093733  64.21008       3.619550  54.18025       5.960088  1586.557 45.06250 1442.556 81.94680 144.0012       93.51955 
1 1 1 -7  8  15 o 499.2383 49.47930 6.776155       1.167918  7.542200       1.523331  5.683732       1.819126  538.5438 56.72447 459.9328 81.08723 78.61099       98.95860 
1 1 1 -7  8  16 o 1164.652 38.10191 35.88012       2.136704  38.10114       2.701027  32.16587       3.492917  1218.698 43.77734 1110.606 62.37441 108.0918       76.20382 
1 1 1 -7  8  17 o 705.0171 74.47268 15.90984       1.808108  17.02680       2.003638  11.01038       4.196377  810.1913 49.07966 599.8428 140.6268 210.3485       148.9454 
1 1 1 -7  8  18 o 667.0009 73.02158 14.53711       2.036590  8.101945       3.463201  17.93896       2.517998  510.2781 132.7811 823.7237 60.80952 -313.4456      146.0432 
1 1 1 -7  8  19 o 291.9346 69.52972 2.155800       1.294493  0.8916443      1.757614  3.654472       1.913711  232.6786 94.78531 351.1906 101.7510 -118.5119      139.0594 
1 1 1 -7  8  20 o 269.0567 67.26529 1.924746       1.140668  1.396673       1.487443  2.678657       1.777271  238.2827 90.06832 299.8307 99.93085 -61.54796      134.5306 
1 1 1 -7  8  21 o 414.8776 64.26471 5.345976       1.312873  6.138614       1.769959  4.376423       1.957545  459.2438 78.97384 370.5114 101.4049 88.73236       128.5294 
1 1 1 -7  8  22 o 209.5056 71.08787 -0.7942436     1.586000  -0.3075422     1.684487  -4.595066      4.707337  185.2445 83.81032 233.7666 114.8467 -48.52208      142.1757 
1 1 1 -7  9  1  o 2659.514 59.69872 181.7807       7.560769  185.0774       9.285987  175.2966       13.02308  2698.510 67.97049 2620.518 98.16192 77.99194       119.3974 
1 1 1 -7  9  2  o 236.6679 59.88442 1.477773       0.7181022 1.477773       0.7181022 0.000000       0.000000  236.6679 59.88442 ?        ?        ?              ?        
1 1 1 -7  9  3  o 1428.659 43.43592 51.38380       2.997618  50.27007       3.700604  53.50912       5.112061  1407.180 51.94448 1450.138 69.63108 -42.95801      86.87184 
1 1 1 -7  9  4  o 2588.777 48.99268 170.7106       6.421065  169.9151       9.067924  171.5105       9.093645  2582.714 69.35024 2594.841 69.22192 -12.12695      97.98536 
1 1 1 -7  9  5  o 1577.735 43.04518 62.83297       2.983557  64.52162       5.981997  62.27382       3.442264  1589.400 74.34116 1566.071 43.41594 23.32922       86.09036 
1 1 1 -7  9  6  o 1049.315 43.35044 29.96658       1.868002  24.95094       3.855711  31.50491       2.135338  984.4556 77.99998 1114.175 37.85556 -129.7189      86.70087 
1 1 1 -7  9  7  o 958.9170 33.62026 23.36138       1.632148  23.24843       2.310100  23.47395       2.306317  956.5916 47.70023 961.2425 47.39171 -4.650940      67.24052 
1 1 1 -7  9  8  o 447.8238 52.05316 5.181230       1.058361  5.405090       1.906293  5.081481       1.272494  452.3867 86.38375 443.2609 58.10313 9.125793       104.1063 
1 1 1 -7  9  9  o 779.4151 44.01772 15.25493       1.590120  16.35517       2.905365  14.78443       1.899936  797.5392 72.75650 761.2910 49.56543 36.24817       88.03545 
1 1 1 -7  9  10 o 1872.961 53.01690 92.84975       4.617693  81.49143       8.051084  98.41783       5.637032  1779.631 89.64720 1966.292 56.62639 -186.6613      106.0338 
1 1 1 -7  9  11 o 465.7900 50.22787 5.563817       1.106787  5.267505       1.378175  6.102045       1.857435  450.0445 62.14549 481.5355 78.92587 -31.49094      100.4557 
1 1 1 -7  9  12 o 515.1916 58.55123 6.869129       1.500048  6.869129       1.500048  0.000000       0.000000  515.1916 58.55123 ?        ?        ?              ?        
1 1 1 -7  9  13 o 493.2794 98.84282 6.569649       2.382431  0.000000       0.000000  6.569649       2.382431  ?        ?        493.2794 98.84282 ?              ?        
1 1 1 -7  9  14 f 597.3922 48.22664 9.602208       1.380054  7.683033       2.075798  11.12241       1.847477  538.6694 78.41800 656.1150 56.15917 -117.4456      96.45328 
1 1 1 -7  9  15 o 843.5956 43.27008 18.45576       1.828323  19.03133       2.723972  17.98387       2.466446  854.7797 63.39729 832.4114 58.90658 22.36829       86.54017 
1 1 1 -7  9  16 o 305.8973 56.80261 2.631827       0.9946305 4.036271       1.334087  0.8742008      1.492434  386.4236 70.80174 225.3709 88.84401 161.0527       113.6052 
1 1 1 -7  9  17 o 330.1973 84.75091 3.057576       1.423923  3.057576       1.423923  0.000000       0.000000  330.1973 84.75091 ?        ?        ?              ?        
1 1 1 -7  9  18 o 407.1788 73.14542 4.978697       1.498262  4.299000       2.429309  5.395946       1.903368  378.6059 115.8887 435.7517 89.27937 -57.14581      146.2908 
1 1 1 -7  9  19 o 359.1582 71.97812 3.761935       1.421950  2.413033       1.927284  5.373416       2.106532  293.7772 103.8351 424.5393 99.70791 -130.7621      143.9562 
1 1 1 -7  9  20 o 307.5241 71.66833 2.822352       1.244549  2.648550       1.525313  3.168515       2.152639  296.7946 91.99271 318.2536 109.9215 -21.45892      143.3367 
1 1 1 -7  9  21 o 406.5155 67.65836 5.081218       1.356121  4.538991       1.772451  5.846805       2.106110  382.5599 92.52618 430.4711 98.73965 -47.91116      135.3167 
1 1 1 -7  9  22 o 343.4619 82.51199 4.284456       1.542241  4.477269       1.621152  2.447300       5.004138  380.7350 86.11961 306.1888 140.7705 74.54617       165.0240 
1 1 1 -7  10 1  o 1359.927 35.53808 46.97206       2.446579  46.21379       3.454748  47.73494       3.465245  1348.887 50.58910 1370.968 49.92559 -22.08008      71.07616 
1 1 1 -7  10 2  o 1890.656 50.64312 91.97692       4.532002  93.57595       5.533607  88.71931       7.898237  1918.319 56.97756 1862.994 83.74043 55.32556       101.2862 
1 1 1 -7  10 3  o 2263.898 44.58127 130.5398       5.109548  131.8023       7.238386  129.2859       7.213660  2274.852 62.84994 2252.945 63.24432 21.90771       89.16254 
1 1 1 -7  10 4  o 1592.739 41.72602 62.33286       2.967572  69.47803       5.915594  59.93006       3.430445  1649.438 70.84000 1536.040 44.11276 113.3982       83.45203 
1 1 1 -7  10 5  o 2219.257 57.83796 139.5017       5.281149  103.1823       10.53547  151.6906       6.103335  1996.107 104.6165 2442.406 49.35891 -446.2992      115.6759 
1 1 1 -7  10 6  o 2087.767 49.85340 112.2238       4.511883  109.4013       9.102499  113.1431       5.194983  2065.621 87.04149 2109.912 48.63356 -44.29077      99.70679 
1 1 1 -7  10 7  o 1973.107 52.24921 100.8415       4.889456  94.95561       8.431643  103.8237       6.001599  1926.149 86.46465 2020.066 58.68375 -93.91650      104.4984 
1 1 1 -7  10 8  o 2559.208 69.17517 168.1747       8.956234  160.9460       12.66910  175.3963       12.66296  2503.435 99.95992 2614.982 95.64953 -111.5466      138.3503 
1 1 1 -7  10 9  o 1297.839 44.92059 44.44901       2.734603  47.38000       3.370856  38.80672       4.676929  1365.466 48.76135 1230.212 75.45705 135.2537       89.84117 
1 1 1 -7  10 10 o 730.6415 35.92730 13.66548       1.318898  12.96181       1.872562  14.35819       1.857931  711.6420 52.34192 749.6410 49.22810 -37.99896      71.85459 
1 1 1 -7  10 11 o 1021.338 35.87010 26.61126       1.850871  27.61732       2.641127  25.64038       2.594548  1041.038 50.11169 1001.637 51.33688 39.40088       71.74020 
1 1 1 -7  10 12 o 552.2407 55.92621 7.873407       1.542045  7.873407       1.542045  0.000000       0.000000  552.2407 55.92621 ?        ?        ?              ?        
1 1 1 -7  10 13 o 1363.100 52.68793 47.53097       3.635988  0.000000       0.000000  47.53097       3.635988  ?        ?        1363.100 52.68793 ?              ?        
1 1 1 -7  10 14 o 241.2348 61.55682 1.204191       0.9776860 0.6696065      1.308821  1.879089       1.470588  209.7053 83.03054 272.7643 90.90047 -63.05901      123.1136 
1 1 1 -7  10 15 o 571.4884 71.12969 11.55806       1.576622  13.73785       1.815862  4.882014       3.177862  729.0507 49.49043 413.9261 133.3733 315.1246       142.2594 
1 1 1 -7  10 16 o 406.3256 64.68102 4.628155       1.298035  4.859393       1.872691  4.414326       1.800815  416.2974 91.36201 396.3539 91.58339 19.94351       129.3620 
1 1 1 -7  10 17 o 522.7255 82.28103 8.794600       1.922002  9.572470       2.226357  6.518672       3.808206  593.3015 75.85667 452.1495 146.0357 141.1520       164.5621 
1 1 1 -7  10 18 o 215.0692 66.07098 -1.251217      1.355591  1.931092       2.366684  -2.805034      1.653747  287.6778 112.3352 142.4606 69.58674 145.2172       132.1420 
1 1 1 -7  10 19 f 348.0340 78.43170 3.566595       1.577984  2.464971       2.068156  5.101413       2.441152  295.0938 107.1659 400.9742 114.5495 -105.8804      156.8634 
1 1 1 -7  10 20 o 305.1498 66.68135 2.682667       1.182014  1.563385       1.561015  4.186901       1.809651  243.9691 92.25655 366.3304 96.30337 -122.3612      133.3627 
1 1 1 -7  10 21 o 311.8306 74.13752 2.825425       1.352658  1.893211       1.667043  4.622082       2.314310  256.8503 95.70551 366.8109 113.2517 -109.9606      148.2750 
1 1 1 -7  10 22 o 242.8679 92.24564 1.708604       1.565011  1.708604       1.565011  0.000000       0.000000  242.8679 92.24564 ?        ?        ?              ?        
1 1 1 -7  11 1  f 1283.307 48.58071 41.86951       3.156298  0.000000       0.000000  41.86951       3.156298  ?        ?        1283.307 48.58071 ?              ?        
1 1 1 -7  11 2  f 737.7311 47.72886 13.99845       1.743739  13.94433       2.303420  14.07108       2.668757  736.9421 62.32273 738.5201 72.30529 -1.578064      95.45773 
1 1 1 -7  11 3  o 1784.246 46.95592 85.28049       3.597286  73.60178       7.118393  89.28589       4.168766  1693.908 83.00581 1874.584 43.92572 -180.6760      93.91184 
1 1 1 -7  11 4  o 1456.604 46.07456 58.65248       2.801788  46.23099       5.582889  62.83408       3.239238  1340.197 82.68620 1573.012 40.67496 -232.8149      92.14912 
1 1 1 -7  11 5  o 1906.578 47.19030 89.44409       4.319726  102.9946       7.616086  83.01749       5.244990  2007.351 74.94194 1805.804 57.37074 201.5470       94.38059 
1 1 1 -7  11 6  o 385.6927 42.16091 3.919582       0.7851570 3.534015       1.178196  4.227602       1.053070  366.9479 65.83968 404.4375 52.68118 -37.48959      84.32182 
1 1 1 -7  11 7  o 878.1016 39.56433 18.69653       1.681903  16.36788       2.062642  23.31694       2.905438  800.9373 51.13449 955.2659 60.38716 -154.3287      79.12866 
1 1 1 -7  11 8  o 2352.376 45.75988 141.1910       5.439735  131.3716       7.692129  151.0145       7.693765  2269.910 66.93516 2434.843 62.41434 -164.9326      91.51975 
1 1 1 -7  11 9  o 2246.654 45.15430 128.8734       5.132615  123.9769       7.275426  133.7249       7.241917  2203.761 65.20942 2289.548 62.47700 -85.78687      90.30860 
1 1 1 -7  11 10 o 709.9999 36.37307 12.90664       1.297074  13.01270       1.883036  12.81088       1.789237  712.6035 52.56589 707.3963 50.28746 5.207214       72.74615 
1 1 1 -7  11 11 o 1913.350 41.48531 93.66378       4.016580  90.04298       5.667392  97.31776       5.693300  1875.845 59.67639 1950.854 57.64420 -75.00867      82.97063 
1 1 1 -7  11 12 o 1654.931 55.51587 70.08885       4.651368  70.08885       4.651368  0.000000       0.000000  1654.931 55.51587 ?        ?        ?              ?        
1 1 1 -7  11 13 o 1080.532 51.60580 29.90250       2.823059  0.000000       0.000000  29.90250       2.823059  ?        ?        1080.532 51.60580 ?              ?        
1 1 1 -7  11 14 o 216.3852 57.28077 0.6480850      0.9398816 -0.5379740     1.339785  1.797365       1.318849  168.7913 75.69372 263.9792 85.99306 -95.18796      114.5615 
1 1 1 -7  11 15 o 1272.121 35.45877 41.83532       2.258765  42.23960       2.991775  41.29939       3.444632  1281.165 46.12540 1263.076 53.86785 18.08899       70.91755 
1 1 1 -7  11 16 o 299.7050 61.58932 2.514251       0.9931132 2.731493       1.346971  2.255501       1.470033  312.5347 83.52853 286.8752 90.53156 25.65952       123.1786 
1 1 1 -7  11 17 o 556.4527 80.12642 11.36424       1.566278  12.25601       1.690169  5.941653       4.167802  684.6931 49.08421 428.2123 152.5507 256.4807       160.2528 
1 1 1 -7  11 18 o 296.3014 107.8694 2.400818       2.097255  2.400818       2.097255  0.000000       0.000000  296.3014 107.8694 ?        ?        ?              ?        
1 1 1 -7  11 19 f 364.2158 86.74046 4.162666       1.924275  6.061243       2.967667  2.785349       2.527657  420.6684 127.9504 307.7632 117.1508 112.9051       173.4809 
1 1 1 -7  11 20 o 193.3087 61.46384 -0.3046365     1.284350  -1.142712      1.905050  0.3936913      1.738979  179.3154 83.93593 207.3021 89.81077 -27.98666      122.9277 
1 1 1 -7  11 21 o 273.4370 72.27476 2.029245       1.331291  1.184658       1.673966  3.482781       2.196025  227.8326 92.62177 319.0414 110.9764 -91.20877      144.5495 
1 1 1 -7  11 22 o 301.8175 87.25691 2.955854       1.670804  2.646649       1.794326  4.972517       4.582420  279.3922 100.0350 324.2427 142.9968 -44.85052      174.5138 
1 1 1 -7  12 1  o 1751.869 56.20459 78.18052       4.984908  0.000000       0.000000  78.18052       4.984908  ?        ?        1751.869 56.20459 ?              ?        
1 1 1 -7  12 2  o 585.3104 40.83280 8.546926       1.175318  10.55085       1.866734  7.230833       1.512812  640.8993 58.16546 529.7215 57.32406 111.1778       81.66560 
1 1 1 -7  12 3  o 1797.511 47.88562 81.64975       4.117510  85.02494       7.164052  79.98484       5.031589  1822.594 77.63994 1772.428 56.07290 50.16638       95.77124 
1 1 1 -7  12 4  o 1484.480 46.31490 56.66151       3.252593  55.10538       5.658026  57.42960       3.975064  1466.217 76.48757 1502.743 52.24874 -36.52637      92.62980 
1 1 1 -7  12 5  o 1417.703 33.70695 51.31739       2.358225  49.87877       3.755002  52.25435       3.030376  1400.619 52.95495 1434.787 41.71820 -34.16821      67.41391 
1 1 1 -7  12 6  o 302.2015 49.35507 2.403676       0.7403424 2.775271       1.089718  2.085126       1.008946  323.8885 68.59145 280.5146 70.98524 43.37381       98.71014 
1 1 1 -7  12 7  o 2203.543 44.19621 123.7490       4.928753  120.3557       6.985377  127.1131       6.955338  2173.226 63.48943 2233.860 61.50051 -60.63428      88.39242 
1 1 1 -7  12 8  o 1763.089 39.83557 79.23132       3.552341  75.34857       5.028047  83.10088       5.019501  1719.654 57.75301 1806.523 54.88242 -86.86951      79.67113 
1 1 1 -7  12 9  o 1385.033 36.64448 48.85790       2.566916  51.97262       3.672221  45.88188       3.589524  1428.360 50.78173 1341.707 52.84399 86.65320       73.28896 
1 1 1 -7  12 10 o 1906.861 41.12980 92.96896       3.970251  94.77466       5.637520  91.19209       5.592319  1925.339 57.83587 1888.384 58.49489 36.95483       82.25959 
1 1 1 -7  12 11 o 1163.434 35.73507 34.57918       2.104016  35.18606       2.952146  33.95269       2.999474  1173.986 49.66968 1152.883 51.38974 21.10303       71.47015 
1 1 1 -7  12 12 o 391.0911 72.08995 4.072158       1.374779  4.072158       1.374779  0.000000       0.000000  391.0911 72.08995 ?        ?        ?              ?        
1 1 1 -7  12 13 o 1680.061 49.35312 73.07833       3.942096  73.91339       6.881210  72.67039       4.809544  1679.928 80.90783 1680.194 56.54064 -0.2664795     98.70624 
1 1 1 -7  12 14 o 877.2990 37.41225 19.93052       1.653630  20.47653       2.355681  19.40009       2.321858  889.3128 52.55469 865.2850 53.26078 24.02777       74.82450 
1 1 1 -7  12 15 o 269.0521 63.07934 1.913681       0.9956647 2.001383       1.297064  1.787865       1.553556  271.9495 84.91986 266.1546 93.29861 5.794891       126.1587 
1 1 1 -7  12 16 o 810.7354 40.99656 17.69937       1.628424  20.05817       2.187258  14.76596       2.439158  877.2917 49.44776 744.1790 65.40482 133.1127       81.99312 
1 1 1 -7  12 17 o 793.8896 56.15714 15.64094       1.803893  14.48947       2.003289  20.57667       4.147573  741.1810 53.75246 846.5983 98.61628 -105.4172      112.3143 
1 1 1 -7  12 18 o 301.7318 67.30994 2.536035       1.317684  4.255486       1.791704  0.5104973      1.944650  377.7977 94.04352 225.6659 96.32410 152.1318       134.6199 
1 1 1 -7  12 19 o 308.6771 73.81184 2.872665       1.441127  1.621963       2.000360  4.222311       2.077978  256.3683 102.2866 360.9860 106.4434 -104.6177      147.6237 
1 1 1 -7  12 20 o 207.0417 89.16362 0.5022006      1.693509  0.5022006      1.693509  0.000000       0.000000  207.0417 89.16362 ?        ?        ?              ?        
1 1 1 -7  12 21 o 328.2436 84.11963 4.093565       1.774600  4.437565       1.931612  2.231922       4.493539  363.0485 101.2660 293.4387 134.3489 69.60974       168.2393 
1 1 1 -7  13 1  o 361.7669 52.40842 2.671542       0.8347486 5.585640       1.754310  1.818652       0.9490755 461.1477 77.91822 262.3860 70.10937 198.7617       104.8168 
1 1 1 -7  13 2  o 2371.616 57.11341 145.5894       6.409548  139.3217       11.14583  148.6861       7.834585  2328.169 94.56147 2415.063 64.07724 -86.89429      114.2268 
1 1 1 -7  13 3  o 1597.279 46.51394 67.51994       3.158767  60.66267       6.383887  69.74310       3.634923  1537.275 82.32457 1657.283 43.32263 -120.0079      93.02787 
1 1 1 -7  13 4  o 548.9781 35.43509 7.747652       0.8981197 7.659230       1.608493  7.787706       1.082596  545.3452 59.21045 552.6111 38.94491 -7.265930      70.87019 
1 1 1 -7  13 5  o 2205.510 42.03687 124.0215       4.684039  114.8531       6.624087  133.1907       6.624375  2123.395 61.61856 2287.624 57.19745 -164.2285      84.07375 
1 1 1 -7  13 6  o 2854.995 51.70721 208.3152       7.472139  203.4443       10.57169  213.1779       10.56272  2821.313 74.01327 2888.677 72.22590 -67.36450      103.4144 
1 1 1 -7  13 7  o 1693.039 39.13585 73.02362       3.354022  71.97741       4.757266  74.05764       4.729463  1680.873 55.90349 1705.205 54.78373 -24.33191      78.27169 
1 1 1 -7  13 8  o 1419.908 36.51814 51.36510       2.624301  53.20724       3.738863  49.57626       3.684381  1445.094 51.10460 1394.722 52.17870 50.37146       73.03627 
1 1 1 -7  13 9  o 655.6990 35.28997 11.03443       1.161643  10.78260       1.664586  11.27351       1.621869  648.1455 51.14380 663.2524 48.63988 -15.10687      70.57993 
1 1 1 -7  13 10 o 735.6302 36.27834 13.87523       1.341622  14.63125       1.928319  13.16592       1.867808  755.2364 50.72713 716.0240 51.87707 39.21234       72.55669 
1 1 1 -7  13 11 f 1264.344 36.12869 40.86264       2.310790  43.19049       3.309711  38.64869       3.227731  1299.656 50.30117 1229.032 51.87408 70.62341       72.25738 
1 1 1 -7  13 12 o 962.1885 50.60128 23.79296       2.456275  23.79296       2.456275  0.000000       0.000000  962.1885 50.60128 ?        ?        ?              ?        
1 1 1 -7  13 13 o 348.1179 66.33184 3.344926       1.154322  3.264856       1.996376  3.385139       1.414802  344.5395 104.9765 351.6963 81.11465 -7.156830      132.6637 
1 1 1 -7  13 14 o 503.8145 45.38820 6.865485       1.098778  8.299877       1.529203  5.334506       1.579850  563.3041 54.29375 444.3248 72.74988 118.9793       90.77641 
1 1 1 -7  13 15 o 492.9416 50.99008 6.667516       1.215699  7.607812       1.681156  5.636867       1.760074  534.0312 63.42082 451.8519 79.86083 82.17926       101.9802 
1 1 1 -7  13 16 o 536.6009 46.46564 7.760283       1.234781  7.598913       1.703302  7.939019       1.792608  531.1593 64.67590 542.0425 66.73268 -10.88318      92.93128 
1 1 1 -7  13 17 o 261.1285 63.57662 1.674940       1.066613  0.7592065      1.436640  2.799662       1.592158  212.6915 86.04075 309.5655 93.62123 -96.87407      127.1532 
1 1 1 -7  13 18 o 262.8967 67.16782 1.372267       1.426192  3.539940       1.855729  -1.755404      2.229093  338.0331 100.8146 187.7602 88.78333 150.2729       134.3356 
1 1 1 -7  13 19 o 238.5860 69.97604 1.189281       1.380769  1.437958       2.059486  0.9862334      1.860974  248.3693 102.0515 228.8026 95.77101 19.56676       139.9521 
1 1 1 -7  13 20 o 227.2533 64.91030 1.042712       1.244909  2.099806       1.651429  -0.3487059     1.894662  262.1764 95.67820 192.3302 87.74434 69.84615       129.8206 
1 1 1 -7  13 21 o 182.6740 59.47312 -0.4385151     1.268297  -0.1269911     1.670210  -0.8628176     1.949230  184.2879 83.40899 181.0601 84.80064 3.227844       118.9462 
1 1 1 -7  14 1  o 458.9005 53.09361 5.477462       1.049031  5.582502       2.055060  5.440446       1.219945  458.4009 91.75316 459.4002 53.45167 -0.9992676     106.1872 
1 1 1 -7  14 2  o 1967.679 55.04117 101.6816       5.076104  91.75876       8.838352  106.5657       6.200760  1889.941 92.37180 2045.418 59.87964 -155.4769      110.0823 
1 1 1 -7  14 3  o 1905.448 37.21584 91.91159       3.518577  94.55267       5.594661  90.18338       4.525661  1927.122 57.34308 1883.775 47.45362 43.34692       74.43169 
1 1 1 -7  14 4  o 1004.915 31.72981 25.51635       1.581624  26.34557       2.519404  24.97698       2.031908  1017.974 48.88522 991.8555 40.46430 26.11823       63.45963 
1 1 1 -7  14 5  o 1141.144 35.26146 33.11522       2.036748  33.55124       2.916028  32.69988       2.846040  1148.445 50.15311 1133.844 49.57972 14.60132       70.52293 
1 1 1 -7  14 6  o 2382.372 46.44510 145.1104       5.598778  139.4357       7.910627  150.8060       7.925128  2335.257 66.91023 2429.486 64.43299 -94.22876      92.89021 
1 1 1 -7  14 7  o 1918.509 52.77238 96.30391       4.784474  99.75891       5.866699  89.44269       8.267429  1976.189 58.63835 1860.829 87.75671 115.3595       105.5448 
1 1 1 -7  14 8  o 685.5320 33.89626 12.02766       1.168448  11.56743       1.626072  12.51900       1.680125  671.8885 48.12207 699.1756 47.75031 -27.28711      67.79252 
1 1 1 -7  14 9  o 2460.709 47.82247 155.7756       5.957601  156.4461       8.448647  155.1124       8.402185  2465.951 67.67357 2455.467 67.58877 10.48389       95.64494 
1 1 1 -7  14 10 o 1192.486 35.97297 36.32362       2.168394  39.27437       3.123880  33.57988       3.012306  1239.422 49.78419 1145.551 51.93991 93.87158       71.94595 
1 1 1 -7  14 11 o 883.2230 43.10314 19.74147       1.833015  18.71625       2.258488  21.72023       3.137663  852.6834 52.57382 913.7627 68.31921 -61.07928      86.20628 
1 1 1 -7  14 12 o 632.2750 47.06387 10.18784       1.427517  9.427785       1.764399  11.62821       2.428922  601.3082 58.70725 663.2419 73.57642 -61.93378      94.12773 
1 1 1 -7  14 13 o 582.9178 58.38385 9.839899       1.491153  7.534814       2.586520  10.98742       1.824954  517.2787 102.3900 648.5570 56.13370 -131.2783      116.7677 
1 1 1 -7  14 14 o 687.8723 39.21883 12.42400       1.351375  13.29899       1.914037  11.55431       1.908244  713.0538 53.40852 662.6909 57.44561 50.36285       78.43767 
1 1 1 -7  14 15 o 923.3198 37.80262 22.35350       1.758723  23.10537       2.533703  21.65439       2.443187  938.2731 53.56083 908.3664 53.36093 29.90674       75.60523 
1 1 1 -7  14 16 o 731.8695 39.84353 14.14445       1.456275  13.51490       1.940216  14.95670       2.203851  714.6043 54.02826 749.1346 58.57453 -34.53033      79.68707 
1 1 1 -7  14 17 o 268.4201 71.45554 1.869112       1.305800  2.057199       2.031396  1.736667       1.704642  278.0179 105.2158 258.8223 96.71200 19.19568       142.9111 
1 1 1 -7  14 18 o 478.4997 69.07481 6.951337       1.543873  6.600710       1.894158  7.645303       2.664787  473.7525 81.93873 483.2469 111.2266 -9.494446      138.1496 
1 1 1 -7  14 19 o 754.8589 53.96036 16.66501       2.031492  16.40892       2.800397  16.94947       2.951480  750.8445 74.65923 758.8734 77.92868 -8.028870      107.9207 
1 1 1 -7  14 20 o 199.6849 63.51883 0.1127811      1.263484  0.1103091      1.522448  0.1182508      2.264682  185.0867 81.98399 214.2830 97.04221 -29.19624      127.0377 
1 1 1 -7  14 21 o 252.5276 98.24589 2.101437       1.805135  2.101437       1.805135  0.000000       0.000000  252.5276 98.24589 ?        ?        ?              ?        
1 1 1 -7  15 1  o 861.2015 54.27024 20.65785       1.989888  16.08840       3.752980  22.44482       2.346946  784.3715 96.54666 938.0316 49.59615 -153.6600      108.5405 
1 1 1 -7  15 2  o 1143.626 48.88547 34.61486       2.550455  30.82645       4.588695  36.30839       3.068005  1092.734 83.57898 1194.518 50.73175 -101.7838      97.77094 
1 1 1 -7  15 3  o 467.7553 51.82438 5.879169       1.137206  8.143997       1.628100  3.721509       1.589114  562.2726 58.02829 373.2380 85.88238 189.0346       103.6488 
1 1 1 -7  15 4  o 2680.604 50.66726 184.0594       6.875581  182.1461       9.747358  185.9540       9.699896  2666.498 72.20413 2694.711 71.10026 -28.21362      101.3345 
1 1 1 -7  15 5  o 2193.796 45.38367 123.1259       5.039251  126.8450       7.151726  119.4587       7.101691  2226.966 63.43277 2160.626 64.92298 66.33984       90.76733 
1 1 1 -7  15 6  o 720.0146 37.46376 13.27398       1.351075  11.82503       1.867964  14.86359       1.956528  678.3298 54.86285 761.6995 51.03138 -83.36975      74.92753 
1 1 1 -7  15 7  o 431.1964 59.68887 5.378938       1.076141  4.107890       2.179300  5.788814       1.237549  389.1931 107.1918 473.1997 52.54484 -84.00662      119.3777 
1 1 1 -7  15 8  o 492.3654 42.99778 6.493253       1.005471  4.705433       1.449062  8.153269       1.396307  421.8998 70.31621 562.8311 49.50622 -140.9313      85.99555 
1 1 1 -7  15 9  o 632.2770 39.09722 10.13037       1.207413  13.61604       1.838473  7.486656       1.601109  727.9158 50.19433 536.6381 59.95747 191.2777       78.19444 
1 1 1 -7  15 10 o 1650.587 49.28197 71.97215       3.856775  74.76158       4.761686  66.65192       6.576081  1706.020 55.13063 1595.154 81.70352 110.8660       98.56395 
1 1 1 -7  15 11 o 778.6709 45.07473 15.96051       1.683545  16.34587       2.113600  15.29166       2.784564  795.3219 52.79237 762.0199 73.07455 33.30200       90.14946 
1 1 1 -7  15 12 o 659.6033 52.43406 12.28867       1.532778  9.799654       2.676762  13.50299       1.869655  597.8753 91.33096 721.3312 51.53618 -123.4559      104.8681 
1 1 1 -7  15 13 o 629.5566 53.07687 10.61103       1.523264  10.89906       2.749529  10.48348       1.829723  628.0308 88.96357 631.0825 57.91460 -3.051636      106.1537 
1 1 1 -7  15 14 o 313.4468 57.97475 2.745616       0.9346721 3.287738       1.377562  2.283141       1.272350  341.5196 80.91456 285.3741 83.04891 56.14551       115.9495 
1 1 1 -7  15 15 o 901.0778 38.82120 21.33489       1.752436  18.45325       2.389793  24.68693       2.577474  833.9967 56.93975 968.1588 52.78452 -134.1621      77.64240 
1 1 1 -7  15 16 o 275.4228 72.95386 2.026833       1.301606  2.287483       1.491496  1.194247       2.665678  281.8787 91.42904 268.9670 113.7093 12.91168       145.9077 
1 1 1 -7  15 17 o 259.7032 70.82365 1.764536       1.315551  1.534303       2.028058  1.931792       1.728566  255.5581 102.6322 263.8484 97.62473 -8.290329      141.6473 
1 1 1 -7  15 18 o 619.7871 64.36012 11.94159       1.838058  12.41853       2.299994  11.09864       3.057713  659.1088 69.99774 580.4655 108.0241 78.64325       128.7202 
1 1 1 -7  15 19 o 212.2682 64.94964 0.5086944      1.335956  1.396754       1.779496  -0.6383289     2.022377  234.4495 95.42501 190.0870 88.13564 44.36249       129.8993 
1 1 1 -7  15 20 o 177.0864 58.01222 -0.6303538     1.254317  0.8466496E-02  1.673202  -1.449948      1.895215  186.7502 84.09761 167.4225 79.93287 19.32770       116.0244 
1 1 1 -7  16 1  o 2900.236 63.94260 216.9378       8.807471  219.3445       15.41103  215.7704       10.73298  2901.459 104.9135 2899.013 73.12846 2.445801       127.8852 
1 1 1 -7  16 2  o 1018.248 51.84842 28.50411       2.328124  22.79129       4.245419  30.96093       2.784084  934.2938 90.90517 1102.203 49.89271 -167.9092      103.6968 
1 1 1 -7  16 3  o 894.1904 50.60814 22.25216       1.749252  18.07795       3.831481  23.35131       1.966116  830.1686 92.74777 958.2122 40.52880 -128.0436      101.2163 
1 1 1 -7  16 4  o 1346.430 54.65508 47.25380       3.676370  52.27795       5.063294  41.65166       5.346610  1426.340 70.11748 1266.520 83.85851 159.8202       109.3102 
1 1 1 -7  16 5  o 922.1216 35.59843 21.77856       1.654812  21.45944       2.364748  22.08479       2.316511  915.2949 51.23751 928.9482 49.43391 -13.65326      71.19686 
1 1 1 -7  16 6  o 638.2404 56.60928 10.55299       1.530222  10.40873       1.758603  11.00273       3.105072  635.3421 55.22272 641.1385 98.83772 -5.796448      113.2186 
1 1 1 -7  16 7  o 253.2422 63.29232 1.145229       0.8552018 2.368116       1.908586  0.8380216      0.9566092 307.3590 103.5581 199.1253 72.79690 108.2337       126.5846 
1 1 1 -7  16 8  o 1276.002 44.07135 41.61647       2.691486  43.16011       4.643173  40.83531       3.303026  1289.373 71.40855 1262.631 51.67159 26.74170       88.14270 
1 1 1 -7  16 9  o 1442.931 37.49604 53.38838       2.735873  57.18572       3.939547  49.85098       3.802318  1492.769 52.12789 1393.093 53.91193 99.67603       74.99209 
1 1 1 -7  16 10 o 226.1562 55.11882 1.148717       0.8025851 1.814842       1.139525  0.4930071      1.130581  261.4114 79.23581 190.9010 76.64217 70.51044       110.2376 
1 1 1 -7  16 11 o 346.3053 84.64296 3.321203       1.471477  3.321203       1.471477  0.000000       0.000000  346.3053 84.64296 ?        ?        ?              ?        
1 1 1 -7  16 12 o 254.9645 86.14605 1.688126       1.320767  0.000000       0.000000  1.688126       1.320767  ?        ?        254.9645 86.14605 ?              ?        
1 1 1 -7  16 13 o 659.5007 41.22939 11.53850       1.358811  11.97928       1.883748  11.06037       1.961933  673.9948 55.70478 645.0067 60.79824 28.98816       82.45877 
1 1 1 -7  16 14 o 495.8572 48.09018 6.794720       1.145222  7.226559       1.503133  6.197201       1.768120  519.8498 58.10715 471.8645 76.64346 47.98526       96.18035 
1 1 1 -7  16 15 o 398.5619 60.10755 4.662117       1.185421  6.004267       1.676648  3.320633       1.676231  463.3982 73.95290 333.7256 94.77679 129.6726       120.2151 
1 1 1 -7  16 16 o 483.4014 64.72416 6.499927       1.453197  5.520674       1.759405  8.602114       2.577829  435.1925 82.88163 531.6103 99.43591 -96.41776      129.4483 
1 1 1 -7  16 17 o 234.8215 66.88725 1.296678       1.225776  0.6635816      2.043960  1.652250       1.531798  225.3138 97.49123 244.3292 91.60284 -19.01544      133.7745 
1 1 1 -7  16 18 o 446.2524 72.51719 6.912130       1.555688  7.371811       1.911430  6.010148       2.677498  494.7192 78.97174 397.7857 121.6488 96.93353       145.0344 
1 1 1 -7  16 19 o 301.6235 73.04607 2.950459       1.409162  1.564136       1.855091  4.841656       2.166713  238.5593 97.30192 364.6878 108.9736 -126.1285      146.0921 
1 1 1 -7  16 20 o 239.9175 70.58729 1.764579       1.426028  2.163766       1.714099  0.8671780      2.570045  252.3697 96.37502 227.4654 103.1606 24.90428       141.1746 
1 1 1 -7  17 1  o 803.4873 51.38304 16.78516       1.802501  16.74804       3.532168  16.79823       2.095955  797.7393 88.97315 809.2353 51.42612 -11.49603      102.7661 
1 1 1 -7  17 2  f 346.1166 65.17768 3.738245       1.020101  1.193784       2.674489  4.171436       1.103526  292.3068 117.6939 399.9263 56.04165 -107.6195      130.3554 
1 1 1 -7  17 3  o 900.2730 37.15154 20.73511       1.682629  22.59111       2.449803  19.07761       2.315100  938.6011 51.75451 861.9449 53.31433 76.65613       74.30307 
1 1 1 -7  17 4  o 545.3036 39.29366 7.692074       1.068080  7.746381       1.554263  7.643481       1.470223  546.8425 56.97756 543.7647 54.12507 3.077820       78.58731 
1 1 1 -7  17 5  o 335.2834 48.86695 3.097691       0.8024188 2.092851       1.168211  3.995243       1.104086  280.0041 78.98302 390.5628 57.56385 -110.5587      97.73389 
1 1 1 -7  17 6  o 418.6638 60.85305 5.158882       1.139648  5.780942       1.354731  3.652951       2.107849  470.9562 58.04692 366.3714 106.9716 104.5848       121.7061 
1 1 1 -7  17 7  o 419.9914 64.72769 4.957443       1.225160  4.340843       2.322999  5.195043       1.442019  396.2219 111.2416 443.7609 66.21185 -47.53906      129.4554 
1 1 1 -7  17 8  o 499.0006 45.68642 6.397470       1.111142  7.451782       1.761815  5.701138       1.431805  532.2147 66.86259 465.7865 62.27671 66.42825       91.37284 
1 1 1 -7  17 9  o 776.9076 38.07847 15.64583       1.486139  15.42524       2.152310  15.84682       2.054533  771.0983 55.50422 782.7170 52.14558 -11.61871      76.15694 
1 1 1 -7  17 10 o 522.1414 45.64943 7.245346       1.175180  6.569513       1.668040  7.911407       1.655937  496.2500 68.19551 548.0328 60.70301 -51.78275      91.29887 
1 1 1 -7  17 11 o 295.7681 82.68130 2.435009       1.286194  2.435009       1.286194  0.000000       0.000000  295.7681 82.68130 ?        ?        ?              ?        
1 1 1 -7  17 12 o 540.1726 65.75977 7.852658       1.761251  0.000000       0.000000  7.852658       1.761251  ?        ?        540.1726 65.75977 ?              ?        
1 1 1 -7  17 13 o 550.4315 45.81132 8.142487       1.242029  6.952804       1.690398  9.538315       1.831005  504.8736 67.85126 595.9893 61.57040 -91.11572      91.62264 
1 1 1 -7  17 14 f 210.4409 59.70254 0.7488754      0.9672953 0.4323514      1.285999  1.161277       1.467903  191.8077 79.89143 229.0741 88.74081 -37.26633      119.4051 
1 1 1 -7  17 15 o 189.8135 56.09881 0.3941098      0.9143341 -0.2365323E-01 1.321652  0.7775849      1.266254  176.6124 77.37411 203.0147 81.24994 -26.40234      112.1976 
1 1 1 -7  17 16 o 421.5976 72.39574 4.550739       1.419636  2.990311       1.636924  9.285841       2.851487  308.6530 95.23814 534.5422 109.0609 -225.8892      144.7915 
1 1 1 -7  17 17 o 229.8056 64.53856 1.008577       1.171278  2.542516       1.813819  -0.8858131E-01 1.533997  279.0101 100.5049 180.6012 80.99174 98.40892       129.0771 
1 1 1 -7  17 18 o 220.2985 64.33682 0.1722332      1.211750  -1.298746      1.491198  3.031763       2.079118  149.3013 71.17630 291.2956 107.1953 -141.9943      128.6736 
1 1 1 -7  17 19 o 286.7316 74.04784 2.851040       1.328585  3.773991       2.343286  2.413787       1.612880  307.9897 113.7236 265.4734 94.86447 42.51639       148.0957 
1 1 1 -7  18 1  o 788.1415 37.72866 15.96093       1.493992  17.29171       2.164559  14.75018       2.064629  819.8171 52.42622 756.4659 54.27062 63.35120       75.45733 
1 1 1 -7  18 2  o 813.3663 51.02336 17.62912       1.814119  16.48078       3.482161  18.05690       2.125326  788.4213 88.78336 838.3113 50.30951 -49.89001      102.0467 
1 1 1 -7  18 3  o 1099.321 36.76607 30.95368       2.045390  32.16040       2.935831  29.81548       2.851259  1120.185 51.76755 1078.457 52.22161 41.72815       73.53214 
1 1 1 -7  18 4  o 1373.557 39.22440 48.49360       2.725505  50.61223       3.851048  46.36747       3.857855  1404.096 54.17494 1343.019 56.73879 61.07703       78.44881 
1 1 1 -7  18 5  o 1083.745 37.01697 30.10601       2.029636  31.34301       2.935219  28.97264       2.809580  1105.016 52.46727 1062.475 52.23226 42.54004       74.03394 
1 1 1 -7  18 6  o 370.2337 62.49215 4.534575       1.304864  6.301619       1.546448  0.1667596      2.431330  489.6099 63.91289 250.8575 107.4068 238.7523       124.9843 
1 1 1 -7  18 7  o 278.8089 77.68295 0.8164383      1.823103  -2.122652      2.837408  2.882928       2.379205  223.3820 103.8541 334.2358 115.5546 -110.8539      155.3659 
1 1 1 -7  18 8  o 765.8742 39.43946 15.37303       1.504251  13.99763       2.212089  16.55613       2.051628  731.9210 60.23193 799.8275 50.93129 -67.90649      78.87891 
1 1 1 -7  18 9  o 595.7462 42.73020 9.324740       1.269065  9.842852       1.856475  8.870251       1.738760  611.2390 60.79897 580.2534 60.05802 30.98553       85.46040 
1 1 1 -7  18 10 o 743.6129 46.62783 14.63993       1.668688  14.43174       2.087452  15.00847       2.777384  741.2913 56.03551 745.9344 74.54288 -4.643127      93.25566 
1 1 1 -7  18 11 o 408.7906 71.85007 4.601524       1.432729  4.601524       1.432729  0.000000       0.000000  408.7906 71.85007 ?        ?        ?              ?        
1 1 1 -7  18 12 o 489.5661 66.34959 6.534533       1.602128  0.000000       0.000000  6.534533       1.602128  ?        ?        489.5661 66.34959 ?              ?        
1 1 1 -7  18 13 o 189.0409 57.14243 0.1345790      0.9840811 -0.3689581     1.357739  0.6918482      1.428345  169.6143 76.12144 208.4676 85.24409 -38.85327      114.2849 
1 1 1 -7  18 14 o 657.1465 42.48421 11.72822       1.391443  10.46061       1.941005  13.06832       1.995732  618.2792 62.88483 696.0139 57.14131 -77.73462      84.96841 
1 1 1 -7  18 15 o 287.8129 65.74509 2.566818       1.112124  2.990337       1.474715  2.008355       1.693434  311.9365 89.00486 263.6894 96.78743 48.24710       131.4902 
1 1 1 -7  18 16 o 241.9928 68.39490 1.583843       1.295742  2.157285       1.488975  -0.2053747     2.630111  262.9396 91.38557 221.0460 101.7847 41.89362       136.7898 
1 1 1 -7  18 17 o 311.5331 70.69705 2.644011       1.564377  6.644600       2.381677  -0.3917118     2.074684  429.1620 109.3149 193.9043 89.68025 235.2577       141.3941 
1 1 1 -7  18 18 o 225.6071 62.84830 1.099256       1.233427  2.728009       1.637438  -1.037117      1.875321  279.5602 95.90845 171.6540 81.24779 107.9062       125.6966 
1 1 1 -7  18 19 o 209.2533 63.91982 0.7349573      1.263300  2.096265       1.923354  -0.2979355     1.675362  244.8004 99.37057 173.7063 80.42673 71.09412       127.8396 
1 1 1 -7  19 1  o 557.7457 40.27912 8.069130       1.115934  9.143028       1.624398  7.109339       1.535676  593.7170 54.65542 521.7744 59.18119 71.94269       80.55824 
1 1 1 -7  19 2  o 1003.261 47.61653 24.95716       2.097450  28.91227       4.270557  23.69980       2.407875  1046.775 81.21972 959.7474 49.72619 87.02716       95.23306 
1 1 1 -7  19 3  o 230.3358 48.87409 1.208543       0.6276699 2.154670       1.034099  0.6566487      0.7897974 282.2431 72.10630 178.4286 65.99537 103.8145       97.74818 
1 1 1 -7  19 4  o 272.9030 52.14773 2.023018       0.7430921 1.702565       1.082096  2.308998       1.022238  253.7275 77.28191 292.0786 70.03606 -38.35107      104.2955 
1 1 1 -7  19 5  o 368.0357 71.81994 3.870699       1.137148  2.926409       2.980112  4.031621       1.230232  347.0179 128.2263 389.0535 64.73351 -42.03564      143.6399 
1 1 1 -7  19 6  o 190.9294 62.21488 -0.3822106     0.9266721 -0.2905331     0.9878732 -1.054089      2.674329  148.8451 65.98013 233.0137 105.4959 -84.16862      124.4298 
1 1 1 -7  19 7  o 317.4594 72.08024 1.962264       1.054424  4.532162       2.598278  1.455593       1.153694  395.7115 119.5810 239.2073 80.51479 156.5041       144.1605 
1 1 1 -7  19 8  o 713.7117 39.10154 13.32605       1.400854  13.90670       2.025591  12.79376       1.939430  728.6615 55.32182 698.7618 55.27401 29.89972       78.20307 
1 1 1 -7  19 9  o 551.5632 46.79379 8.314759       1.233881  6.131752       1.748628  10.47960       1.741337  472.4950 75.65229 630.6313 55.09414 -158.1364      93.58757 
1 1 1 -7  19 10 o 256.7433 64.87900 1.506685       0.9775590 1.183908       1.147880  2.358750       1.865011  220.8887 79.89660 292.5979 102.2432 -71.70923      129.7580 
1 1 1 -7  19 11 o 197.7178 60.74240 0.1059512      1.085946  0.5538623E-01  1.347663  0.1995744      1.833784  182.6060 79.08717 212.8295 92.21594 -30.22350      121.4848 
1 1 1 -7  19 12 o 410.6183 83.22462 4.888433       1.670867  0.000000       0.000000  4.888433       1.670867  ?        ?        410.6183 83.22462 ?              ?        
1 1 1 -7  19 13 o 264.4951 66.28069 1.850241       1.124321  1.166573       1.479789  2.783851       1.729258  226.7545 88.74920 302.2357 98.46879 -75.48123      132.5614 
1 1 1 -7  19 14 o 504.4255 52.56577 7.530859       1.247668  8.912357       1.677543  5.820649       1.866479  569.4709 59.04404 439.3801 86.98531 130.0908       105.1315 
1 1 1 -7  19 15 o 262.0825 65.56444 2.175670       1.108779  2.556924       1.342973  1.359367       1.965105  285.3076 85.91589 238.8574 99.06181 46.45018       131.1289 
1 1 1 -7  19 16 o 332.8740 74.81327 3.865150       1.306611  3.664752       1.500205  4.494772       2.659160  334.5048 87.56208 331.2431 121.3301 3.261719       149.6265 
1 1 1 -7  19 17 o 218.5819 63.57833 1.257046       1.161203  1.740454       1.419233  0.2780782      2.019672  234.7796 88.14339 202.3842 91.64909 32.39543       127.1567 
1 1 1 -7  19 18 o 212.0063 62.30901 1.182356       1.175344  1.876452       1.273053  -2.825667      3.059157  237.7193 84.35104 186.2935 91.73087 51.42580       124.6180 
1 1 1 -7  20 1  o 1099.753 51.64212 29.52726       2.550684  26.90879       2.944985  37.38892       5.102881  1017.592 57.39874 1181.913 85.86628 -164.3215      103.2842 
1 1 1 -7  20 2  o 841.3545 56.72060 19.63602       2.071418  17.22553       3.902443  20.58158       2.444160  792.1096 99.50848 890.5994 54.46987 -98.48987      113.4412 
1 1 1 -7  20 3  o 546.5170 65.19048 7.710470       1.423476  9.106986       3.187393  7.362545       1.590946  564.1100 115.4938 528.9240 60.50098 35.18610       130.3810 
1 1 1 -7  20 4  o 541.3713 41.76308 7.726155       1.119555  6.872770       1.578571  8.589822       1.588053  509.7070 62.48137 573.0357 55.43192 -63.32874      83.52616 
1 1 1 -7  20 5  o 215.4994 53.29961 1.127763       0.7157925 0.9966540      1.091429  1.226716       0.9481854 211.5839 77.69600 219.4149 72.98443 -7.830963      106.5992 
1 1 1 -7  20 6  o 470.6935 65.67176 5.941530       1.522322  5.941530       1.522322  0.000000       0.000000  470.6935 65.67176 ?        ?        ?              ?        
1 1 1 -7  20 7  o 582.2107 65.36008 8.145680       1.590259  12.55457       3.512539  7.008996       1.783514  656.4333 109.5544 507.9881 71.31340 148.4452       130.7202 
1 1 1 -7  20 8  o 408.6251 54.80422 4.653825       1.090531  5.319976       1.579063  4.046374       1.507885  438.8990 73.67492 378.3510 81.15428 60.54800       109.6084 
1 1 1 -7  20 9  o 564.0068 45.50691 8.627820       1.272323  8.409266       1.851542  8.823351       1.751312  555.5340 67.19854 572.4796 61.38300 -16.94562      91.01382 
1 1 1 -7  20 10 o 427.4403 65.79110 5.262410       1.346831  4.787963       1.692352  6.081973       2.224275  406.2098 85.02063 448.6707 100.4259 -42.46094      131.5822 
1 1 1 -7  20 11 o 208.5544 63.37292 0.2454784      1.185520  -0.2155860     1.523527  0.9531580      1.887503  182.7905 81.43240 234.3182 97.12503 -51.52766      126.7458 
1 1 1 -7  20 12 f 273.2943 59.09959 2.177877       1.041603  3.490645       1.366909  0.3600509      1.608502  344.1573 79.97424 202.4312 87.03545 141.7261       118.1992 
1 1 1 -7  20 13 o 308.5225 61.68531 2.994959       1.021227  3.409786       1.327052  2.392553       1.599187  338.0658 78.96375 278.9791 94.78943 59.08670       123.3706 
1 1 1 -7  20 14 o 242.7835 58.77010 1.771317       0.9983355 2.655564       1.220867  -0.1326964E-01 1.734405  293.4876 79.98225 192.0794 86.13094 101.4082       117.5402 
1 1 1 -7  20 15 o 321.0051 67.30068 3.589850       1.167023  3.738920       1.468841  3.334649       1.921851  339.0781 85.56351 302.9322 103.9058 36.14590       134.6014 
1 1 1 -7  20 16 f 265.2289 65.59136 2.334264       1.021529  2.132265       1.215917  2.818914       1.883404  254.4164 82.55410 276.0414 101.9496 -21.62506      131.1827 
1 1 1 -7  20 17 o 176.3135 57.59975 -0.4439073     1.109135  -1.070337      1.343149  0.8989457      1.966538  141.5311 67.49374 211.0959 93.35694 -69.56487      115.1995 
1 1 1 -7  20 18 o 219.1901 68.49557 1.335082       1.270501  1.172513       1.411010  2.031556       2.920542  201.6296 83.80838 236.7506 108.3639 -35.12102      136.9911 
1 1 1 -7  21 1  o 596.4588 78.29398 10.13397       2.258550  7.594704       3.014913  13.38142       3.409507  504.6490 119.7974 688.2686 100.8384 -183.6195      156.5880 
1 1 1 -7  21 2  o 539.5847 68.77870 9.261924       1.503042  6.258075       2.993549  10.27444       1.737996  453.9083 125.8729 625.2610 55.48027 -171.3528      137.5574 
1 1 1 -7  21 3  o 553.9751 41.05400 8.123957       1.131846  8.041974       1.648365  8.197093       1.556892  550.4481 60.12777 557.5022 55.91400 -7.054138      82.10800 
1 1 1 -7  21 4  o 292.8650 51.89489 2.373047       0.7653006 2.547575       1.140897  2.230276       1.031891  302.2530 74.93102 283.4769 71.81686 18.77609       103.7898 
1 1 1 -7  21 5  o 196.8186 52.01484 0.8426989      0.6906235 0.8396374      1.071849  0.8448721      0.9030731 200.6658 76.31057 192.9714 70.70269 7.694427       104.0297 
1 1 1 -7  21 6  o 347.9054 70.23279 3.963436       1.239621  4.447059       1.362128  1.631808       2.990847  401.8544 69.46529 293.9565 122.0866 107.8979       140.4656 
1 1 1 -7  21 7  o 617.8965 43.48724 10.23792       1.338479  9.302763       1.835526  11.29988       1.956005  586.8980 62.74754 648.8951 60.22712 -61.99707      86.97448 
1 1 1 -7  21 8  o 838.5410 41.06869 18.83757       1.731164  19.77418       2.459206  17.91750       2.437410  860.2979 56.78214 816.7840 59.34929 43.51392       82.13738 
1 1 1 -7  21 9  o 730.4940 50.70813 15.20949       1.720902  16.14063       2.140957  13.50959       2.892761  776.4833 54.81392 684.5047 85.32697 91.97864       101.4163 
1 1 1 -7  21 10 o 351.8277 78.08781 4.091757       1.619189  2.794185       2.465066  5.076463       2.147416  304.3232 115.7273 399.3322 104.8715 -95.00900      156.1756 
1 1 1 -7  21 11 o 397.7736 70.72300 4.946229       1.383073  4.712184       1.729138  5.361915       2.304421  393.2854 88.92924 402.2617 109.9935 -8.976349      141.4460 
1 1 1 -7  21 12 o 354.4103 60.59772 3.789345       1.074872  3.100346       1.423644  4.702843       1.639253  316.2045 86.45107 392.6161 84.93850 -76.41156      121.1954 
1 1 1 -7  21 13 o 258.2732 64.53170 2.156526       1.092686  2.612563       1.286773  0.9775235      2.068995  288.0682 83.42789 228.4781 98.47410 59.59007       129.0634 
1 1 1 -7  21 14 o 265.8084 63.83190 2.409311       1.031827  2.640967       1.266367  1.951743       1.779773  284.6796 82.85530 246.9372 97.12386 37.74246       127.6638 
1 1 1 -7  21 15 o 190.2156 59.63094 0.4996406      1.090039  0.9724188      1.206426  -1.602107      2.543678  195.3940 78.91523 185.0372 89.41913 10.35675       119.2619 
1 1 1 -7  21 16 o 208.2337 63.79675 0.8209816      1.306668  -0.4201691     1.901462  1.931526       1.798637  179.0638 83.83044 237.4037 96.19020 -58.34000      127.5935 
1 1 1 -7  21 17 o 144.5434 49.43449 -0.9238285     0.9244689 -0.8252604     1.051587  -1.259192      1.939701  126.3757 60.11406 162.7112 78.49443 -36.33548      98.86898 
1 1 1 -7  22 1  o 318.1339 59.41167 3.714327       1.183320  4.862894       1.278275  -3.166218      3.128656  423.8600 61.35326 212.4077 101.7584 211.4524       118.8233 
1 1 1 -7  22 2  o 296.7253 67.40019 2.741230       1.079702  3.136072       1.154845  -0.2169616E-04 3.042895  335.3222 70.27471 258.1284 115.0331 77.19379       134.8004 
1 1 1 -7  22 3  o 453.1052 71.54843 4.792915       1.208629  8.522573       3.254297  4.196154       1.301736  516.5768 125.6413 389.6335 68.49065 126.9433       143.0969 
1 1 1 -7  22 4  o 277.2159 64.72975 2.213978       0.9369036 1.238136       2.374121  2.393983       1.019660  262.7986 108.9288 291.6332 69.95913 -28.83459      129.4595 
1 1 1 -7  22 5  o 540.1986 43.06864 7.892282       1.156489  8.248767       1.670671  7.564296       1.602504  552.0843 60.77934 528.3130 61.03690 23.77130       86.13728 
1 1 1 -7  22 6  o 235.7562 54.25499 1.407208       0.7452508 2.182785       1.196785  0.9159814      0.9524552 274.8032 80.70950 196.7093 72.52856 78.09384       108.5100 
1 1 1 -7  22 7  o 520.0652 49.32627 7.509187       1.260530  6.697711       1.717842  8.455839       1.855414  488.1396 71.64322 551.9909 67.82014 -63.85129      98.65253 
1 1 1 -7  22 8  f 206.7708 59.89392 0.6006749      0.8639841 0.3599844      0.9855997 1.399418       1.795456  169.3643 70.19131 244.1774 97.06858 -74.81308      119.7878 
1 1 1 -7  22 9  o 327.9055 68.83681 3.075647       1.118802  2.625035       1.305316  4.323155       2.171880  295.0147 83.58472 360.7962 109.3966 -65.78146      137.6736 
1 1 1 -7  22 10 o 166.7617 52.48092 -0.1603376     0.8548675 -0.3676841     1.065648  0.2139857      1.431821  146.6971 66.48920 186.8262 81.21682 -40.12907      104.9618 
1 1 1 -7  22 11 f 212.2115 87.07592 0.9413677      1.496854  0.000000       0.000000  0.9413677      1.496854  ?        ?        212.2115 87.07592 ?              ?        
1 1 1 -7  22 12 f 339.0049 62.18736 3.706729       1.068249  3.584614       1.409676  3.871441       1.637190  336.3446 83.23586 341.6652 92.41680 -5.320526      124.3747 
1 1 1 -7  22 13 o 392.9834 63.25061 5.242579       1.222795  5.582097       1.604579  4.772286       1.888487  421.4860 78.07104 364.4807 99.53627 57.00525       126.5012 
1 1 1 -7  22 14 o 352.1512 65.89076 4.574213       1.200518  4.942768       1.518509  3.959868       1.960523  389.5250 79.68748 314.7774 104.9584 74.74756       131.7815 
1 1 1 -7  22 15 o 246.4094 61.95177 2.333254       1.185348  3.179762       1.317817  -1.253629      2.712678  303.3709 83.27259 189.4480 91.74836 113.9230       123.9035 
1 1 1 -7  22 16 o 153.6583 52.66804 -1.450378      1.262044  -1.794472      1.716516  -1.045510      1.861939  145.1314 70.89208 162.1853 77.91022 -17.05394      105.3361 
1 1 1 -7  23 1  o 437.7921 73.29399 6.154428       1.293508  6.287238       1.414581  5.476693       3.195527  480.3014 59.44366 395.2828 133.9944 85.01859       146.5880 
1 1 1 -7  23 2  o 308.9840 74.55035 1.788493       0.9141575 1.431761       0.9597715 5.276140       3.000979  227.1813 73.30685 390.7867 129.8350 -163.6054      149.1007 
1 1 1 -7  23 3  o 206.8475 50.24222 1.091926       0.6786692 0.4121197      1.025795  1.621134       0.9050682 174.6167 71.91728 239.0783 70.17854 -64.46159      100.4844 
1 1 1 -7  23 4  o 347.1508 76.06906 3.155807       1.116089  2.859143       1.196921  5.132349       3.089483  313.2800 76.19745 381.0215 131.6813 -67.74152      152.1381 
1 1 1 -7  23 5  o 253.0914 72.29413 1.389817       1.017350  1.363873       1.073410  1.618915       3.189747  223.7448 77.60165 282.4380 121.9990 -58.69318      144.5883 
1 1 1 -7  23 6  o 277.0931 68.99098 2.446785       1.138762  -1.184067      3.631444  2.842762       1.199252  243.7641 114.6711 310.4220 76.74352 -66.65791      137.9820 
1 1 1 -7  23 7  o 193.3940 71.77673 0.9201601      0.9358246 0.000000       0.000000  0.9201601      0.9358246 ?        ?        193.3940 71.77673 ?              ?        
1 1 1 -7  23 8  o 296.9598 57.59487 2.643803       0.9066103 1.984764       1.228994  3.430594       1.342838  256.8997 82.95963 337.0199 79.91481 -80.12021      115.1897 
1 1 1 -7  23 9  o 210.3170 56.61450 1.103007       0.8460807 1.484905       1.207651  0.7348485      1.185728  228.2309 82.03043 192.4031 78.05008 35.82787       113.2290 
1 1 1 -7  23 10 o 413.4170 73.49944 5.307072       1.439612  4.275626       1.711752  7.799641       2.660977  360.6292 93.11277 466.2049 113.7483 -105.5757      146.9989 
1 1 1 -7  23 11 o 141.6766 65.11993 -0.4336090     1.069967  0.000000       0.000000  -0.4336090     1.069967  ?        ?        141.6766 65.11993 ?              ?        
1 1 1 -7  23 12 f 354.5043 58.49073 4.158741       1.033964  3.685389       1.453069  4.644243       1.471600  329.4027 86.15086 379.6058 79.13717 -50.20306      116.9815 
1 1 1 -7  23 13 o 184.7376 54.39029 0.6308014      0.8837706 -0.1628309     1.228824  1.481148       1.271973  154.5200 70.56036 214.9552 82.79161 -60.43518      108.7806 
1 1 1 -7  23 14 o 162.4144 52.01222 0.5167476E-01  0.9203755 0.9524702E-01  1.283698  0.5583204E-02  1.320288  162.8463 73.46667 161.9824 73.64599 0.8639221      104.0244 
1 1 1 -7  23 15 o 192.0347 61.45246 0.7311003      1.222403  1.187031       1.331477  -1.714598      3.083799  197.8652 81.75863 186.2042 91.76681 11.66093       122.9049 
1 1 1 -7  23 16 o 211.8618 88.44892 1.741749       1.581445  0.000000       0.000000  1.741749       1.581445  ?        ?        211.8618 88.44892 ?              ?        
1 1 1 -7  24 1  o 270.9601 70.66814 1.778778       0.8684226 2.835160       2.935905  1.677489       0.9091033 301.5242 122.6303 240.3961 70.26913 61.12804       141.3363 
1 1 1 -7  24 2  o 264.5318 68.78001 1.949083       1.017349  1.932543       2.568269  1.952161       1.107985  272.5465 113.1590 256.5170 78.21635 16.02951       137.5600 
1 1 1 -7  24 3  o 273.9300 55.38371 2.251581       0.8081412 2.382630       1.132898  2.115808       1.153139  282.2141 77.10377 265.6458 79.52630 16.56824       110.7674 
1 1 1 -7  24 4  o 438.6977 51.47245 5.584336       1.099482  5.713068       1.628105  5.476406       1.490762  441.2653 75.59811 436.1301 69.87545 5.135223       102.9449 
1 1 1 -7  24 5  o 340.3991 72.48965 3.852931       1.180500  3.905477       1.282148  3.560399       3.025203  364.9317 71.95468 315.8665 125.8631 49.06519       144.9793 
1 1 1 -7  24 6  o 238.7543 70.31351 1.274299       1.038078  1.347313       3.130614  1.265279       1.100330  262.7612 116.9192 214.7474 78.14002 48.01376       140.6270 
1 1 1 -7  24 7  o 667.1497 61.43703 12.54470       2.051775  12.54470       2.051775  0.000000       0.000000  667.1497 61.43703 ?        ?        ?              ?        
1 1 1 -7  24 8  o 340.0686 83.26505 3.658073       1.422061  3.658073       1.422061  0.000000       0.000000  340.0686 83.26505 ?        ?        ?              ?        
1 1 1 -7  24 9  o 247.6600 71.26326 1.697677       1.133790  2.332218       2.923099  1.585308       1.230089  267.1722 116.0943 228.1478 82.67963 39.02440       142.5265 
1 1 1 -7  24 10 o 221.2369 99.09755 0.9340554      2.289297  0.000000       0.000000  0.9340554      2.289297  ?        ?        221.2369 99.09755 ?              ?        
1 1 1 -7  24 11 o 249.8299 88.04208 2.219858       1.384616  0.000000       0.000000  2.219858       1.384616  ?        ?        249.8299 88.04208 ?              ?        
1 1 1 -7  24 12 o 215.5604 54.18399 1.239332       0.8960559 2.806747       1.261648  -0.3560516     1.272855  280.9944 82.96456 150.1264 69.71728 130.8680       108.3680 
1 1 1 -7  24 13 o 382.1179 62.77057 5.156809       1.162817  6.218524       1.906837  4.528236       1.467194  404.8094 94.72272 359.4263 82.39044 45.38315       125.5411 
1 1 1 -7  24 14 o 309.1300 73.75891 4.356190       1.368472  4.136521       1.895531  4.595319       1.977709  301.8828 103.1960 316.3771 105.4139 -14.49426      147.5178 
1 1 1 -7  24 15 f 163.3656 75.03884 0.2411956      1.417506  0.2411956      1.417506  0.000000       0.000000  163.3656 75.03884 ?        ?        ?              ?        
1 1 1 -7  25 1  o 184.9580 59.94879 0.3195742      0.7204648 -1.019425      3.000806  0.4014800      0.7421729 216.9375 102.7090 152.9784 61.85693 63.95914       119.8976 
1 1 1 -7  25 2  o 146.5057 42.86951 0.2586555      0.5286469 -0.1609536E-01 0.7656065 0.5090225      0.7308438 134.7788 58.97223 158.2326 62.23709 -23.45380      85.73901 
1 1 1 -7  25 3  o 226.7869 53.93754 1.536962       0.7309797 1.650098       0.9414625 1.365233       1.159911  234.5287 72.20367 219.0450 80.14776 15.48367       107.8751 
1 1 1 -7  25 4  o 386.3820 80.99593 4.689950       1.408360  7.576882       3.326299  4.059370       1.554581  417.3322 136.5974 355.4317 87.07760 61.90048       161.9919 
1 1 1 -7  25 5  o 136.8186 60.20525 -0.3153385E-01 0.8079987 -0.3153385E-01 0.8079987 0.000000       0.000000  136.8186 60.20525 ?        ?        ?              ?        
1 1 1 -7  25 6  o 408.9237 83.89338 6.459530       1.657765  7.314819       3.920952  6.273362       1.829309  373.8434 144.9754 444.0039 84.46622 -70.16049      167.7868 
1 1 1 -7  25 7  o 274.4818 76.89630 2.607876       1.369186  2.870280       3.601046  2.563530       1.480366  275.6751 123.8275 273.2885 91.20808 2.386627       153.7926 
1 1 1 -7  25 8  o 244.4677 55.47791 1.799881       0.9020547 3.225412       1.280859  0.3970937      1.270599  313.0931 80.39138 175.8422 76.47495 137.2509       110.9558 
1 1 1 -7  25 9  o 255.9619 54.12970 1.903775       0.9363102 4.054100       1.375152  0.4533282E-01  1.278419  349.0955 79.57704 162.8283 73.40023 186.2672       108.2594 
1 1 1 -7  25 10 o 253.8905 70.55778 2.112986       1.278837  0.9657285      1.541266  4.648200       2.291155  195.8447 84.69920 311.9363 112.8700 -116.0916      141.1156 
1 1 1 -7  25 11 o 185.6328 88.88603 -0.3096462     2.380402  0.000000       0.000000  -0.3096462     2.380402  ?        ?        185.6328 88.88603 ?              ?        
1 1 1 -7  25 12 o 213.6689 88.68603 1.677849       1.576813  0.000000       0.000000  1.677849       1.576813  ?        ?        213.6689 88.68603 ?              ?        
1 1 1 -7  25 13 o 216.2010 67.19931 1.810482       1.583035  -0.5862802     2.734212  3.019011       1.941548  183.0906 89.44207 249.3115 100.3150 -66.22093      134.3986 
1 1 1 -7  25 14 o 157.3110 52.02222 -0.2037399     1.018542  -1.060718      1.331309  1.005927       1.581710  131.3412 63.76583 183.2807 82.21414 -51.93948      104.0444 
1 1 1 -7  26 1  o 151.3221 64.59180 0.2452603      0.8744541 0.000000       0.000000  0.2452603      0.8744541 ?        ?        151.3221 64.59180 ?              ?        
1 1 1 -7  26 2  o 193.9267 47.69690 0.9944493      0.6515308 1.738419       0.8726690 0.5749330E-01  0.9793358 237.5466 68.67799 150.3068 66.20658 87.23981       95.39381 
1 1 1 -7  26 3  o 155.1903 45.71962 0.3768216      0.5994710 0.5530050      0.7862809 0.1322444      0.9264100 160.8149 64.13940 149.5657 65.17111 11.24916       91.43925 
1 1 1 -7  26 4  o 145.5617 43.78768 0.1372135      0.6029198 0.6243594      0.7686772 -0.6416810     0.9719720 163.4969 63.97151 127.6265 59.80878 35.87047       87.57536 
1 1 1 -7  26 5  o 217.0447 75.82596 1.485477       1.025739  1.485477       1.025739  0.000000       0.000000  217.0447 75.82596 ?        ?        ?              ?        
1 1 1 -7  26 6  o 172.9686 58.01182 -0.1973814     1.055541  -1.423516      2.834292  0.6163490E-04  1.137356  191.1861 92.87102 154.7511 69.54465 36.43509       116.0236 
1 1 1 -7  26 7  o 292.6798 60.46172 3.148960       0.9972239 3.920872       1.366195  2.268682       1.458945  338.5957 80.81931 246.7640 89.94843 91.83171       120.9234 
1 1 1 -7  26 8  o 263.0529 64.82504 2.625599       1.044856  2.072476       1.338619  3.488034       1.671512  235.6238 86.11803 290.4818 96.91660 -54.85800      129.6501 
1 1 1 -7  26 9  o 206.0968 59.40620 1.337364       0.9785993 2.249531       1.528421  0.7036343      1.273966  235.6421 90.75597 176.5514 76.67946 59.09068       118.8124 
1 1 1 -7  26 10 o 184.3011 79.29741 0.9519083      1.336968  0.9519083      1.336968  0.000000       0.000000  184.3011 79.29741 ?        ?        ?              ?        
1 1 1 -7  26 11 o 258.9944 62.00126 2.765190       1.067766  1.479165       1.517312  4.026883       1.502890  201.8562 85.58770 316.1327 89.72942 -114.2764      124.0025 
1 1 1 -7  26 12 o 153.9375 49.78686 0.2266889E-03  0.9142128 -1.009280      1.366435  0.8183029      1.230074  134.4373 65.10957 173.4377 75.33705 -39.00035      99.57372 
1 1 1 -7  26 13 o 150.0996 51.72006 -0.5980380     1.137595  -0.7410127     1.344465  -0.2376867     2.134434  135.0956 65.21590 165.1037 80.29162 -30.00812      103.4401 
1 1 1 -7  27 1  o 155.5531 66.14875 0.3961602      0.9108838 0.000000       0.000000  0.3961602      0.9108838 ?        ?        155.5531 66.14875 ?              ?        
1 1 1 -7  27 2  o 154.7788 45.04685 0.3847091      0.6168956 0.9239202      0.8043003 -0.3857468     0.9614191 178.3444 66.47247 131.2132 60.81352 47.13120       90.09370 
1 1 1 -7  27 3  o 219.1749 54.76934 1.631534       0.7697688 1.933389       1.072200  1.310457       1.105813  236.3104 77.56322 202.0394 77.34772 34.27101       109.5387 
1 1 1 -7  27 4  o 193.2046 51.76433 1.100862       0.7574006 1.781311       1.021148  0.2687297      1.129243  227.1564 75.74911 159.2527 70.57094 67.90373       103.5287 
1 1 1 -7  27 5  o 271.6389 76.64485 2.348192       1.135993  1.651730       1.215018  7.185831       3.202214  214.9614 81.36721 328.3164 129.9119 -113.3550      153.2897 
1 1 1 -7  27 6  o 127.1209 40.64930 -0.7229142     0.6727120 0.6095171      0.8560086 -2.874806      1.087842  159.1524 65.63976 95.08933 47.96753 64.06310       81.29860 
1 1 1 -7  27 7  o 203.2864 59.50588 1.478140       1.018075  0.9734405      1.447318  1.972455       1.432350  185.5433 81.13594 221.0294 87.06755 -35.48608      119.0118 
1 1 1 -7  27 8  f 213.1364 91.23343 1.923999       1.753451  1.923999       1.753451  0.000000       0.000000  213.1364 91.23343 ?        ?        ?              ?        
1 1 1 -7  27 9  o 197.6622 59.57153 1.466981       1.043262  1.366860       1.686402  1.529053       1.327845  195.2225 86.38881 200.1020 82.04903 -4.879547      119.1431 
1 1 1 -7  27 10 o 185.7962 58.54478 1.054060       1.156463  1.767532       1.554274  0.1691989      1.730920  204.7930 86.71667 166.7994 78.67772 37.99361       117.0896 
1 1 1 -7  27 11 o 166.6098 53.55975 0.5902792      1.016901  -0.1602545     1.588609  1.111306       1.323616  153.9299 73.40539 179.2897 78.01434 -25.35971      107.1195 
1 1 1 -7  27 12 o 229.4493 64.37728 2.945077       1.144975  2.570919       1.783214  3.207538       1.493511  210.9838 91.17594 247.9147 90.91032 -36.93094      128.7546 
1 1 1 -7  28 1  o 142.7266 40.12917 0.2013601      0.5549763 1.089282       0.6892502 -1.435580      0.9358492 182.5435 62.22885 102.9097 50.68501 79.63375       80.25833 
1 1 1 -7  28 2  o 108.4754 36.62996 -0.5593050     0.5335130 -0.2490653     0.6166247 -1.483099      1.064045  106.3778 49.09105 110.5730 54.37907 -4.195206      73.25991 
1 1 1 -7  28 3  o 169.8410 47.87590 0.2331518      0.6791354 -0.7765222     0.8434899 2.094036       1.145115  109.0465 52.39820 230.6355 80.14259 -121.5889      95.75179 
1 1 1 -7  28 4  o 225.4384 56.14055 1.821606       0.8753839 0.6931510      1.166155  3.278314       1.324953  167.2413 72.98920 283.6354 85.32070 -116.3941      112.2811 
1 1 1 -7  28 5  o 145.3705 46.53863 0.1768606      0.7309592 0.2579359      0.9522675 0.6057254E-01  1.140465  144.4800 64.37157 146.2610 67.22855 -1.781021      93.07726 
1 1 1 -7  28 6  o 132.8974 44.74802 -0.5105718     0.7508176 -0.7983882     0.9082500 0.1106210      1.334323  112.0774 53.98082 153.7175 71.38356 -41.64001      89.49604 
1 1 1 -7  28 7  o 280.4973 65.29463 3.550201       1.252730  6.314943       1.894032  1.400181       1.670249  370.3541 99.07745 190.6405 85.07183 179.7136       130.5893 
1 1 1 -7  28 8  o 230.7012 66.29681 2.757584       1.192990  3.200728       1.912424  2.475286       1.526391  236.2016 97.82326 225.2008 89.50796 11.00081       132.5936 
1 1 1 -7  28 9  o 270.0967 66.61848 3.704638       1.118723  3.983150       1.627799  3.455337       1.540069  278.6165 95.62341 261.5768 92.78065 17.03976       133.2370 
1 1 1 -7  28 10 o 154.7211 55.31440 -0.7166055     1.259434  1.468022       3.648670  -1.012104      1.341910  182.5883 91.54480 126.8540 62.11504 55.73423       110.6288 
1 1 1 -7  29 1  f 197.7720 52.75754 1.430986       0.7245748 0.8554382      0.9265386 2.337129       1.162576  163.4468 67.92332 232.0972 80.74562 -68.65045      105.5151 
1 1 1 -7  29 2  o 186.9520 53.88847 1.255051       0.7754893 0.8201987      0.9633870 2.055445       1.307018  162.3484 68.48152 211.5555 83.22349 -49.20706      107.7769 
1 1 1 -7  29 3  f 264.8028 62.32578 3.259182       0.9741011 3.058468       1.312094  3.505653       1.453980  259.4033 85.83453 270.2024 90.39051 -10.79910      124.6516 
1 1 1 -7  29 4  o 186.3667 62.93887 1.023767       1.069519  0.7188240      1.113445  4.661433       3.845663  160.4650 70.64111 212.2685 104.1875 -51.80353      125.8777 
1 1 1 -7  29 5  o 401.8351 89.58340 6.957404       1.775970  0.000000       0.000000  6.957404       1.775970  ?        ?        401.8351 89.58340 ?              ?        
1 1 1 -7  29 6  o 209.8442 89.28318 2.414629       1.661030  2.414629       1.661030  0.000000       0.000000  209.8442 89.28318 ?        ?        ?              ?        
1 1 1 -7  29 7  o 185.0276 58.41068 1.523302       1.139728  0.6925755      1.591768  2.397244       1.632646  163.3980 76.56132 206.6571 88.23601 -43.25909      116.8214 
1 1 1 -7  29 8  o 150.5319 50.45221 0.2810999      1.039158  0.6853836      1.426669  -0.1757812     1.516637  157.9768 73.51128 143.0870 69.12160 14.88974       100.9044 
1 1 1 -7  29 9  o 234.1717 71.24957 4.831512       1.517550  4.133158       1.693274  7.681955       3.420941  248.1604 95.53969 220.1830 105.7269 27.97731       142.4991 
1 1 1 -7  30 1  o 120.5866 39.32520 -0.9546322E-01 0.5897927 0.3745422      0.6999016 -1.246774      1.095423  131.2111 56.91119 109.9622 54.28629 21.24886       78.65039 
1 1 1 -7  30 2  o 266.4069 62.08047 3.500895       0.9566591 2.932635       1.231265  4.366501       1.519630  245.2370 83.17443 287.5768 92.18434 -42.33978      124.1609 
1 1 1 -7  30 3  o 249.5877 61.64743 3.071465       0.9399640 2.304851       1.180671  4.398386       1.553327  215.7948 80.51633 283.3805 93.37421 -67.58572      123.2949 
1 1 1 -7  30 4  o 134.7444 50.70287 -1.034505      0.7099831 -1.193472      0.7225191 3.427680       3.827975  87.10094 43.19465 182.3878 91.74609 -95.28681      101.4057 
1 1 1 -7  30 5  o 139.3224 68.00489 -0.2765682     1.571388  0.000000       0.000000  -0.2765682     1.571388  ?        ?        139.3224 68.00489 ?              ?        
1 1 1 -7  30 6  o 133.0097 46.01643 -0.4515647     0.9825656 -1.023753      1.256425  0.4493456      1.576551  117.5344 58.04565 148.4850 71.41953 -30.95065      92.03285 
1 1 1 -7  31 1  o 161.5880 48.73097 1.294184       0.7391089 1.579095       0.9260628 0.7942281      1.226739  177.9370 70.03543 145.2388 67.77808 32.69820       97.46194 
1 1 1 -7  31 2  o 153.8453 48.38834 1.112102       0.7834299 1.361462       0.9741603 0.6555511      1.318141  165.3093 69.25021 142.3813 67.60278 22.92796       96.77669 
1 1 1 -7  31 3  f 121.5865 41.67820 -0.2067983     0.6842481 -0.5548037     0.8067888 0.6849551      1.291485  101.4059 49.32611 141.7670 67.19541 -40.36111      83.35640 
1 1 1 -6  0  1  o 1783.780 39.38026 80.86765       5.018326  80.86765       5.018326  80.86765       5.018326  1783.780 55.69210 1783.780 55.69210 0.000000       0.000000 
1 1 1 -6  0  2  o 6827.620 109.0955 1203.480       53.26892  1203.480       53.26892  1203.480       53.26892  6827.620 154.2843 6827.620 154.2843 0.000000       0.000000 
1 1 1 -6  0  3  o ?        ?        747.5850       33.79182  747.5850       33.79182  747.5850       33.79182  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 -6  0  4  o ?        ?        58.10535       3.934813  58.10535       3.934813  58.10535       3.934813  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 -6  0  5  o 2348.923 45.92837 142.4728       7.710754  142.4728       7.710754  142.4728       7.710754  2348.923 64.95252 2348.923 64.95252 0.000000       0.000000 
1 1 1 -6  0  6  o 1393.329 35.40266 49.38317       3.521392  49.38317       3.521392  49.38317       3.521392  1393.329 50.06693 1393.329 50.06693 0.000000       0.000000 
1 1 1 -6  0  7  o 1419.805 50.97781 51.50027       5.151644  51.50027       5.151644  51.50027       5.151644  1419.805 72.09351 1419.805 72.09351 0.000000       0.000000 
1 1 1 -6  0  8  o 2129.140 44.69878 115.2311       6.800352  115.2311       6.800352  115.2311       6.800352  2129.140 63.21362 2129.140 63.21362 0.000000       0.000000 
1 1 1 -6  0  9  o 3194.048 46.78731 259.3763       10.68925  259.3763       10.68925  259.3763       10.68925  3194.048 66.16724 3194.048 66.16724 0.000000       0.000000 
1 1 1 -6  0  10 o 1944.898 29.98916 96.04318       4.171510  96.04318       4.171510  96.04318       4.171510  1944.898 42.41108 1944.898 42.41108 0.000000       0.000000 
1 1 1 -6  0  11 o 2017.613 35.05632 103.4190       5.057200  103.4190       5.057200  103.4190       5.057200  2017.613 49.57713 2017.613 49.57713 0.000000       0.000000 
1 1 1 -6  0  12 o 2726.026 41.66553 188.8951       8.123579  188.8951       8.123579  188.8951       8.123579  2726.026 58.92396 2726.026 58.92396 0.000000       0.000000 
1 1 1 -6  0  13 o 2302.719 66.68901 136.2462       10.95304  136.2462       10.95304  136.2462       10.95304  2302.719 94.31250 2302.719 94.31250 0.000000       0.000000 
1 1 1 -6  0  14 o 1445.427 54.34085 53.82603       5.587378  53.82603       5.587378  53.82603       5.587378  1445.427 76.84956 1445.427 76.84956 0.000000       0.000000 
1 1 1 -6  0  15 f 299.2239 82.05369 3.153767       1.672421  3.153767       1.672421  3.153767       1.672421  299.2239 116.0414 299.2239 116.0414 0.000000       0.000000 
1 1 1 -6  0  16 o 286.0810 80.15212 2.927270       1.582123  2.927270       1.582123  2.927270       1.582123  286.0810 113.3522 286.0810 113.3522 0.000000       0.000000 
1 1 1 -6  0  17 o 388.7347 73.00644 4.678477       1.755633  4.678477       1.755633  4.678477       1.755633  388.7347 103.2467 388.7347 103.2467 0.000000       0.000000 
1 1 1 -6  0  18 o 1182.922 57.62458 37.30667       4.827293  37.30667       4.827293  37.30667       4.827293  1182.922 81.49347 1182.922 81.49347 0.000000       0.000000 
1 1 1 -6  0  19 o 455.9940 97.68490 7.132000       2.782884  7.132000       2.782884  7.132000       2.782884  455.9940 138.1473 455.9940 138.1473 0.000000       0.000000 
1 1 1 -6  0  20 o 966.6731 44.25755 24.88495       3.033679  24.88495       3.033679  24.88495       3.033679  966.6731 62.58962 966.6731 62.58962 0.000000       0.000000 
1 1 1 -6  0  21 o 301.1512 88.91543 3.763987       1.918394  3.763987       1.918394  3.763987       1.918394  301.1512 125.7454 301.1512 125.7454 0.000000       0.000000 
1 1 1 -6  0  22 o 201.7983 81.03888 1.969795       1.817434  1.969795       1.817434  1.969795       1.817434  201.7983 114.6063 201.7983 114.6063 0.000000       0.000000 
1 1 1 -6  0  23 o 229.7363 95.95070 3.195343       2.708880  3.195343       2.708880  3.195343       2.708880  229.7363 135.6948 229.7363 135.6948 0.000000       0.000000 
1 1 1 -6  1  1  o 339.2069 39.38596 3.105354       0.6245594 1.800838       0.8751454 4.459402       0.8916054 261.2064 66.11756 417.2074 42.81918 -156.0010      78.77191 
1 1 1 -6  1  2  o 1948.067 40.95934 96.95763       4.039609  97.20995       5.713099  96.70534       5.712640  1950.624 57.85148 1945.509 57.99892 5.114990       81.91868 
1 1 1 -6  1  3  o ?        ?        463.5516       15.28007  468.6261       21.61096  458.4787       21.60762  ?        ?        ?        ?        ?              ?        
1 1 1 -6  1  4  o ?        ?        271.4618       9.429194  281.2923       13.33896  261.6432       13.33083  ?        ?        ?        ?        ?              ?        
1 1 1 -6  1  5  o 2810.954 51.91402 205.1452       7.387915  205.3596       10.45050  204.9309       10.44568  2812.443 73.39552 2809.464 73.43949 2.979248       103.8280 
1 1 1 -6  1  6  o 2027.456 41.71268 104.3248       4.281135  102.6043       6.054180  106.0456       6.054698  2010.692 59.47385 2044.219 58.50344 -33.52649      83.42537 
1 1 1 -6  1  7  o 1300.440 49.17474 43.04781       3.224652  44.45344       4.572285  41.65677       4.548500  1321.725 68.56507 1279.156 70.50851 42.56848       98.34947 
1 1 1 -6  1  8  o 511.0686 42.51310 6.631063       1.049101  7.091364       1.716897  6.356791       1.325300  524.3612 66.14573 497.7760 53.42468 26.58521       85.02619 
1 1 1 -6  1  9  o 2339.718 35.41170 139.2857       4.152220  141.0482       5.514170  136.9774       6.310266  2357.389 46.20248 2322.046 53.67761 35.34253       70.82340 
1 1 1 -6  1  10 o 2768.842 39.00911 194.6634       5.416124  197.1098       8.272181  192.8279       7.165564  2783.202 58.70724 2754.482 51.38386 28.71997       78.01821 
1 1 1 -6  1  11 o 2609.032 40.45830 173.0696       5.340353  180.4617       7.552031  165.6761       7.552767  2665.001 55.97353 2553.062 58.43338 111.9387       80.91660 
1 1 1 -6  1  12 o 864.9849 35.40886 19.52288       1.487264  21.16698       1.915983  17.03035       2.359101  913.4406 41.43121 816.5291 57.43349 96.91150       70.81773 
1 1 1 -6  1  13 o 2164.087 56.71317 122.9216       5.784080  128.8781       7.099782  111.1656       9.974185  2248.776 62.36131 2079.398 94.74494 169.3774       113.4263 
1 1 1 -6  1  14 o 1896.563 59.55346 92.59169       5.713812  97.05878       8.104053  88.17606       8.057253  1942.728 82.39609 1850.399 86.00782 92.32898       119.1069 
1 1 1 -6  1  15 o 1046.568 37.84172 27.95645       1.999615  26.44604       2.777732  29.58109       2.880851  1016.437 54.17460 1076.699 52.84974 -60.26160      75.68343 
1 1 1 -6  1  16 o 1415.679 39.08960 51.33512       2.801027  51.81340       3.932739  50.84272       3.990390  1422.571 54.60565 1408.786 55.94827 13.78479       78.17919 
1 1 1 -6  1  17 o 1146.110 39.30823 33.86614       2.274807  35.59311       3.227230  32.16076       3.206993  1176.336 54.18947 1115.884 56.95655 60.45142       78.61646 
1 1 1 -6  1  18 o 355.8009 77.30373 3.266815       1.695022  1.022752       2.382061  5.568548       2.412475  269.2978 110.0971 442.3040 108.5453 -173.0062      154.6075 
1 1 1 -6  1  19 o 257.1858 72.26404 1.172962       1.414098  1.582174       2.016440  0.7769554      1.983637  271.4086 104.3184 242.9630 100.0302 28.44557       144.5281 
1 1 1 -6  1  20 o 302.4398 67.10780 2.436656       1.190210  1.431554       1.612679  3.639073       1.763887  249.7951 93.92384 355.0846 95.87563 -105.2895      134.2156 
1 1 1 -6  1  21 o 845.5879 43.77499 19.12695       1.856787  17.67525       2.534233  20.80946       2.728278  810.7050 62.21939 880.4708 61.59341 -69.76581      87.54999 
1 1 1 -6  1  22 o 202.9663 61.54911 -0.6416827     1.212483  1.784030       1.928628  -2.226964      1.559129  263.1971 101.7855 142.7355 69.23064 120.4616       123.0982 
1 1 1 -6  1  23 f 234.6562 72.82841 -0.2519754     1.845835  2.094257       2.461609  -3.265787      2.789919  279.5659 112.7900 189.7466 92.16468 89.81927       145.6568 
1 1 1 -6  2  1  o 2004.557 59.45259 102.9899       6.033523  102.6277       8.530993  103.3525       8.534386  2000.990 84.21142 2008.123 83.94569 -7.132324      118.9052 
1 1 1 -6  2  2  o 2948.858 55.00808 232.8420       8.212197  231.6201       11.61237  234.0644       11.61523  2940.693 77.99871 2957.024 77.58710 -16.33057      110.0162 
1 1 1 -6  2  3  o ?        ?        85.53806       3.648466  86.97466       5.163571  84.10575       5.155858  ?        ?        ?        ?        ?              ?        
1 1 1 -6  2  4  o ?        ?        852.4829       27.07618  882.1213       38.29568  822.8575       38.28734  ?        ?        ?        ?        ?              ?        
1 1 1 -6  2  5  f 2748.125 50.56077 193.3183       7.033735  196.6974       9.951107  189.9444       9.943305  2772.382 70.89811 2723.869 72.10426 48.51343       101.1215 
1 1 1 -6  2  6  f 2937.652 52.64735 219.2767       7.829515  222.1380       11.07699  216.4199       11.06823  2956.872 73.99553 2918.433 74.91087 38.43921       105.2947 
1 1 1 -6  2  7  o 2084.340 60.07988 110.5299       6.328676  118.1900       8.956035  102.8901       8.944176  2156.830 82.01934 2011.851 87.81341 144.9785       120.1598 
1 1 1 -6  2  8  o 1906.300 48.24944 94.70291       3.982153  87.68209       7.948097  97.05595       4.601326  1856.105 84.58181 1956.495 46.45373 -100.3905      96.49887 
1 1 1 -6  2  9  o 1678.759 31.75485 71.49983       2.698331  72.93176       3.863125  70.13569       3.770590  1695.155 45.01381 1662.363 44.80223 32.79150       63.50971 
1 1 1 -6  2  10 f 1416.020 30.79681 50.88639       2.207303  51.56428       3.162126  50.24217       3.082590  1425.189 43.82511 1406.850 43.27971 18.33972       61.59362 
1 1 1 -6  2  11 o 975.0168 28.44322 24.13425       1.398826  23.83621       2.062239  24.38823       1.903732  969.3495 42.02182 980.6841 38.34362 -11.33459      56.88644 
1 1 1 -6  2  12 o 2043.295 40.48892 107.7326       4.064288  113.5040       5.238266  99.00316       6.442297  2114.252 48.93810 1972.338 64.51724 141.9144       80.97784 
1 1 1 -6  2  13 o 628.5757 54.56554 8.203197       1.512520  5.441888       1.743519  16.60198       3.040727  454.8763 78.54907 802.2752 75.76040 -347.3989      109.1311 
1 1 1 -6  2  14 o 525.8375 62.75390 7.250127       1.599218  8.839482       2.373777  5.929244       2.164021  580.5704 83.13419 471.1045 94.02614 109.4659       125.5078 
1 1 1 -6  2  15 o 590.7096 43.22290 9.023802       1.272702  8.581735       1.793493  9.472214       1.806319  575.6932 62.54144 605.7259 59.67785 -30.03265      86.44581 
1 1 1 -6  2  16 o 1548.201 40.58981 61.49485       3.179344  59.20513       4.510560  63.75578       4.482118  1519.108 58.64865 1577.293 56.12899 -58.18457      81.17961 
1 1 1 -6  2  17 o 1104.491 40.01254 31.51977       2.229545  32.74743       3.114714  30.22975       3.192842  1128.025 54.54008 1080.957 58.56102 47.06824       80.02508 
1 1 1 -6  2  18 o 1046.293 57.96669 29.29275       3.037956  31.13223       4.262257  27.39327       4.331209  1082.276 78.31812 1010.309 85.47995 71.96680       115.9334 
1 1 1 -6  2  19 o 1195.495 55.72704 38.38211       3.353421  37.89613       4.764068  38.85938       4.721131  1187.169 79.72769 1203.821 77.88137 -16.65247      111.4541 
1 1 1 -6  2  20 o 243.1428 67.55232 1.047256       1.259354  0.1814509      1.805161  1.868200       1.757773  214.1986 92.15150 272.0870 98.79963 -57.88837      135.1046 
1 1 1 -6  2  21 o 891.7202 43.95150 21.45007       1.962541  23.36207       2.755589  19.48192       2.795750  935.3117 58.48726 848.1286 65.62148 87.18311       87.90300 
1 1 1 -6  2  22 f 525.9071 61.16420 8.208325       1.532215  10.39722       2.167176  6.020629       2.166582  609.3610 71.61404 442.4532 99.17492 166.9078       122.3284 
1 1 1 -6  2  23 o 242.7107 76.99866 -0.6321175     1.481823  -1.489074      1.628503  3.492411       3.572698  158.3668 75.17760 327.0546 134.4005 -168.6878      153.9973 
1 1 1 -6  3  1  o ?        ?        98.79177       4.766878  96.54484       5.824826  103.3482       8.294722  ?        ?        ?        ?        ?              ?        
1 1 1 -6  3  2  o ?        ?        1.619791       0.5934724 1.577971       0.7044791 1.722021       1.101450  ?        ?        ?        ?        ?              ?        
1 1 1 -6  3  3  o ?        ?        239.3651       8.339200  241.6065       11.79559  237.1254       11.79123  ?        ?        ?        ?        ?              ?        
1 1 1 -6  3  4  f ?        ?        593.5623       19.25883  582.7162       27.23665  604.4076       27.23554  ?        ?        ?        ?        ?              ?        
1 1 1 -6  3  5  f 1871.029 39.83567 89.10630       3.764239  81.85194       5.317744  96.39182       5.329150  1794.289 58.53982 1947.769 54.04268 -153.4799      79.67133 
1 1 1 -6  3  6  o 1033.551 32.61938 27.07590       1.706810  27.21288       2.412021  26.93852       2.415570  1036.174 45.97956 1030.929 46.28149 5.245239       65.23876 
1 1 1 -6  3  7  o 2430.011 65.84223 150.2058       8.100184  150.4367       11.44564  149.9741       11.46517  2431.902 92.96306 2428.121 93.26665 3.780273       131.6845 
1 1 1 -6  3  8  o 3414.483 69.56691 301.0910       10.32150  290.4999       20.69627  304.5973       11.90804  3366.824 121.4194 3462.143 67.93781 -95.31860      139.1338 
1 1 1 -6  3  9  o 914.5386 30.40055 21.01155       1.386739  22.44006       2.184478  20.04729       1.794749  940.1465 45.89534 888.9307 39.87973 51.21576       60.80111 
1 1 1 -6  3  10 o 2208.056 36.50630 123.9017       4.080358  126.7627       5.788807  121.0767       5.752361  2233.461 51.19495 2182.652 52.05687 50.80884       73.01260 
1 1 1 -6  3  11 o 3456.692 54.84242 304.6764       9.404909  304.7129       12.14884  304.6217       14.85736  3459.452 69.36555 3453.932 84.96578 5.519287       109.6848 
1 1 1 -6  3  12 o 874.1248 36.91682 20.05660       1.543677  21.64789       1.950572  17.38957       2.525228  923.6863 41.71130 824.5632 60.92270 99.12305       73.83365 
1 1 1 -6  3  13 o 948.8811 49.15747 23.74961       2.102799  24.63829       2.507158  21.64157       3.861428  982.9366 50.55282 914.8256 84.32224 68.11102       98.31493 
1 1 1 -6  3  14 o 1147.543 52.69363 33.76588       3.035455  37.55885       4.454690  30.47826       4.147333  1208.013 73.18396 1087.072 75.83258 120.9408       105.3873 
1 1 1 -6  3  15 o 766.2741 38.07558 14.96504       1.454495  14.35911       1.916027  15.78907       2.234417  748.5531 50.86034 783.9951 56.67648 -35.44202      76.15115 
1 1 1 -6  3  16 o 786.6715 42.20415 16.02538       1.662724  16.77569       2.300029  15.20401       2.406474  806.8829 56.66325 766.4601 62.56227 40.42273       84.40830 
1 1 1 -6  3  17 o 664.7699 49.25612 12.07688       1.516939  16.48129       2.133173  7.571060       2.157588  798.7266 53.05444 530.8132 83.00534 267.9134       98.51224 
1 1 1 -6  3  18 o 227.9926 67.93301 0.4624535      1.286178  0.9304616      1.511819  -0.7638283     2.447192  228.6805 89.64898 227.3047 102.0913 1.375778       135.8660 
1 1 1 -6  3  19 o 255.7565 76.36882 0.5828111      1.714678  -0.1039322     2.515023  1.179259       2.343856  242.5008 106.4751 269.0123 109.5072 -26.51149      152.7376 
1 1 1 -6  3  20 o 711.8638 44.05099 13.47806       1.566682  12.20160       2.180513  14.84017       2.252484  675.5627 64.53952 748.1647 59.97174 -72.60199      88.10198 
1 1 1 -6  3  21 o 385.8970 58.79533 4.032924       1.361077  8.698845       2.023742  0.1792686      1.839174  559.9171 73.13930 211.8769 92.07719 348.0402       117.5907 
1 1 1 -6  3  22 o 540.5479 59.05953 8.487864       1.558332  7.643477       2.181468  9.367758       2.226861  509.1744 87.79583 571.9214 79.01902 -62.74707      118.1191 
1 1 1 -6  3  23 o 278.5366 81.80151 1.647595       1.933550  0.2903402      2.574103  3.404979       2.929062  236.0948 105.4645 320.9784 125.0727 -84.88358      163.6030 
1 1 1 -6  4  1  o ?        ?        38.80115       2.132241  39.56347       3.017681  38.04109       3.013212  ?        ?        ?        ?        ?              ?        
1 1 1 -6  4  2  o ?        ?        806.3400       29.52430  826.3757       36.15206  766.2176       51.15932  ?        ?        ?        ?        ?              ?        
1 1 1 -6  4  3  o ?        ?        297.8669       10.12865  314.4437       14.33199  281.3265       14.31618  ?        ?        ?        ?        ?              ?        
1 1 1 -6  4  4  o 1681.400 38.13554 72.49213       3.246134  71.80571       4.593797  73.17673       4.587662  1673.332 54.22580 1689.467 53.63619 -16.13501      76.27109 
1 1 1 -6  4  5  o 1888.533 40.15824 90.53381       3.839167  92.16499       5.434844  88.90915       5.423976  1905.555 56.33548 1871.512 57.24552 34.04272       80.31647 
1 1 1 -6  4  6  o 3410.692 52.58002 293.5706       8.922132  305.0892       14.10081  285.8800       11.52187  3465.229 80.37639 3356.155 67.81054 109.0735       105.1600 
1 1 1 -6  4  7  o 3242.928 67.79379 265.1742       10.54576  259.9751       12.92444  275.5311       18.24164  3198.564 79.81286 3287.292 109.6079 -88.72778      135.5876 
1 1 1 -6  4  8  o 1444.950 41.30628 52.94072       3.021709  0.000000       0.000000  52.94072       3.021709  ?        ?        1444.950 41.30628 ?              ?        
1 1 1 -6  4  9  o 1510.217 34.73875 59.31499       2.572764  51.57622       4.021809  64.67548       3.347242  1424.069 55.78361 1596.364 41.41633 -172.2946      69.47750 
1 1 1 -6  4  10 o 604.6192 35.43000 9.322288       1.066454  9.137512       1.416794  9.563845       1.619919  598.0308 47.17815 611.2076 52.87119 -13.17676      70.86001 
1 1 1 -6  4  11 o 804.5289 35.34860 16.71037       1.406154  17.84912       1.862193  15.19972       2.144828  837.5662 44.07093 771.4917 55.27971 66.07452       70.69720 
1 1 1 -6  4  12 o 788.6411 32.16410 15.84725       1.275818  15.91752       1.748731  15.76729       1.865480  790.6888 43.85709 786.5935 47.06031 4.095276       64.32820 
1 1 1 -6  4  13 o 394.2386 75.47064 3.505477       1.271452  3.091565       1.404311  5.387695       2.994639  340.4799 82.36477 447.9973 126.4884 -107.5174      150.9413 
1 1 1 -6  4  14 o 935.7555 53.05431 22.26646       2.459824  27.78454       3.722817  17.99062       3.277089  1038.583 71.23271 832.9280 78.64438 205.6550       106.1086 
1 1 1 -6  4  15 o 1637.745 37.41239 69.67864       3.008179  74.03547       3.885517  63.15997       4.752728  1704.737 45.02023 1570.754 59.76560 133.9838       74.82478 
1 1 1 -6  4  16 o 1132.023 36.14275 33.10287       2.021437  34.17782       2.625365  31.53769       3.167965  1156.943 44.82232 1107.104 56.71115 49.83838       72.28551 
1 1 1 -6  4  17 o 1087.836 39.43642 30.58003       2.165778  31.03196       3.013799  30.09742       3.114426  1097.412 54.24513 1078.260 57.25723 19.15247       78.87284 
1 1 1 -6  4  18 o 1157.553 54.00491 36.19789       2.838818  37.15742       3.393328  33.96027       5.181911  1196.863 56.00126 1118.244 92.35789 78.61951       108.0098 
1 1 1 -6  4  19 o 458.8469 76.20399 6.136434       1.761351  4.689143       2.462446  7.652672       2.520418  398.8940 115.3771 518.7998 99.58076 -119.9058      152.4080 
1 1 1 -6  4  20 o 928.4579 52.34521 22.45817       2.307993  26.26585       4.086929  20.67525       2.796622  975.9192 83.52257 880.9966 63.11946 94.92255       104.6904 
1 1 1 -6  4  21 o 435.8865 72.21429 5.419516       1.509210  7.284758       2.599048  4.470626       1.853764  485.6981 108.4409 386.0750 95.39482 99.62305       144.4286 
1 1 1 -6  4  22 o 336.8469 76.53181 3.600283       1.431285  3.612288       1.728590  3.574105       2.552597  341.9180 95.94701 331.7757 119.2587 10.14236       153.0636 
1 1 1 -6  4  23 o 389.0208 95.78394 4.762262       1.873898  4.762262       1.873898  0.000000       0.000000  389.0208 95.78394 ?        ?        ?              ?        
1 1 1 -6  5  1  o ?        ?        58.83473       3.170362  65.75145       5.553848  55.49140       3.861300  ?        ?        ?        ?        ?              ?        
1 1 1 -6  5  2  o ?        ?        144.2481       7.874962  147.0808       11.14447  141.4231       11.12930  ?        ?        ?        ?        ?              ?        
1 1 1 -6  5  3  o 2410.193 50.57004 163.4864       6.168682  159.1776       8.721695  167.7994       8.725973  2374.930 72.53814 2445.456 70.48074 -70.52563      101.1401 
1 1 1 -6  5  4  o 1294.075 34.15197 42.50585       2.237400  42.97683       3.168297  42.03732       3.160042  1301.240 48.09331 1286.909 48.50218 14.33118       68.30394 
1 1 1 -6  5  5  o 1916.124 36.92508 92.52223       3.519265  96.16488       5.566486  90.09676       4.542242  1947.055 56.47018 1885.193 47.59166 61.86230       73.85017 
1 1 1 -6  5  6  o 510.3517 30.88146 6.772064       0.7665206 6.068553       1.200524  7.256249       0.9959583 486.7950 49.39673 533.9084 37.07589 -47.11349      61.76292 
1 1 1 -6  5  7  f 4022.865 82.78389 414.7112       15.87059  416.9386       19.44380  410.2650       27.47068  4045.660 94.93102 4000.070 135.6495 45.59058       165.5678 
1 1 1 -6  5  8  o 575.5443 47.96296 8.465871       1.384828  0.000000       0.000000  8.465871       1.384828  ?        ?        575.5443 47.96296 ?              ?        
1 1 1 -6  5  9  o 522.5978 35.22481 6.965588       0.9086504 5.630929       1.237477  8.527082       1.338513  467.6080 53.22044 577.5876 46.15987 -109.9796      70.44962 
1 1 1 -6  5  10 o 2303.153 45.42402 135.0192       5.296442  134.1349       7.492221  135.9026       7.488381  2295.570 64.46684 2310.737 64.01089 -15.16650      90.84804 
1 1 1 -6  5  11 o 1380.930 33.77192 48.27796       2.330551  47.60459       3.049904  49.22292       3.612970  1369.688 43.98259 1392.172 51.26110 -22.48364      67.54383 
1 1 1 -6  5  12 o 1524.245 36.02720 59.85853       2.712411  63.23280       3.531170  55.00229       4.236226  1578.116 44.19733 1470.375 56.90723 107.7413       72.05441 
1 1 1 -6  5  13 f 1569.466 54.82316 66.55862       3.866627  71.31992       4.634672  55.65629       7.013189  1673.165 54.71377 1465.768 95.01957 207.3970       109.6463 
1 1 1 -6  5  14 o 829.5048 48.57431 18.99021       1.855439  22.12979       2.354883  13.85020       3.013111  930.5272 50.17237 728.4823 83.19008 202.0449       97.14863 
1 1 1 -6  5  15 o 207.4375 55.64878 0.7389511      0.8478305 1.308695       1.072056  -0.2123903     1.385307  231.6555 77.61562 183.2195 79.76817 48.43600       111.2976 
1 1 1 -6  5  16 o 1547.257 37.34309 61.42107       2.862520  61.54637       3.690322  61.23178       4.535600  1551.310 46.98746 1543.203 58.05344 8.106934       74.68617 
1 1 1 -6  5  17 o 429.8760 53.24756 4.857994       1.099027  3.459158       1.451528  6.737261       1.682428  355.3092 82.30813 504.4428 67.57650 -149.1335      106.4951 
1 1 1 -6  5  18 f 510.6009 80.97592 7.446820       2.047462  5.953368       2.761214  9.270924       3.051611  450.9467 119.1554 570.2551 109.6831 -119.3084      161.9518 
1 1 1 -6  5  19 o 871.1609 47.91922 20.12192       2.009371  19.91733       2.508244  20.48844       3.357223  871.0756 57.19390 871.2463 76.90164 -0.1707153     95.83843 
1 1 1 -6  5  20 o 331.7718 71.94408 3.216266       1.318686  3.226443       1.764767  3.203399       1.984282  332.5524 98.10374 330.9912 105.2590 1.561157       143.8882 
1 1 1 -6  5  21 o 309.7297 65.52119 2.834170       1.201525  4.135057       1.655307  1.385487       1.746809  373.6788 88.80643 245.7806 96.36143 127.8982       131.0424 
1 1 1 -6  5  22 o 257.2812 67.64156 1.753153       1.192667  1.186718       1.644805  2.381191       1.731939  232.0004 92.68993 282.5619 98.53983 -50.56154      135.2831 
1 1 1 -6  5  23 o 188.3460 60.35263 -0.3717991     1.226471  -0.7063139     1.616693  0.8174212E-01  1.882471  172.5224 79.57100 204.1696 90.76461 -31.64717      120.7053 
1 1 1 -6  6  1  o 474.7177 56.87140 6.964572       1.308921  5.955234       1.837762  8.003738       1.864719  432.0081 87.03445 517.4272 73.22858 -85.41916      113.7428 
1 1 1 -6  6  2  o 1844.582 56.36150 87.56005       5.262231  85.27753       7.360996  89.94577       7.525571  1819.935 79.89085 1869.229 79.52310 -49.29395      112.7230 
1 1 1 -6  6  3  o 1559.299 44.86314 61.50993       3.335286  60.85831       4.070745  62.84074       5.817481  1548.038 51.94079 1570.559 73.16393 -22.52087      89.72628 
1 1 1 -6  6  4  o 1713.635 46.62265 73.70043       3.820327  77.24167       6.665451  71.96801       4.662073  1743.046 75.53303 1684.224 54.67586 58.82239       93.24531 
1 1 1 -6  6  5  o 753.2657 39.90811 15.52818       1.241991  12.55270       2.504281  16.49876       1.430283  699.4973 71.72995 807.0342 35.00632 -107.5369      79.81622 
1 1 1 -6  6  6  o 2971.738 48.66636 224.6138       7.170996  226.2899       9.268928  222.1149       11.31784  2986.461 61.30403 2957.016 75.60075 29.44458       97.33272 
1 1 1 -6  6  7  o 985.1295 40.25610 24.50544       1.887470  24.13644       2.306341  25.25377       3.284421  975.5115 46.69898 994.7475 65.58521 -19.23596      80.51220 
1 1 1 -6  6  8  o 1188.962 48.85853 35.90594       2.940980  0.000000       0.000000  35.90594       2.940980  ?        ?        1188.962 48.85853 ?              ?        
1 1 1 -6  6  9  o 1130.608 34.07271 32.52765       1.940503  28.48449       2.717862  36.73194       2.771494  1058.605 50.71189 1202.610 45.52034 -144.0054      68.14542 
1 1 1 -6  6  10 o 1280.302 36.13709 41.63610       2.341559  43.03475       3.322338  40.25562       3.300696  1301.726 50.41278 1258.878 51.78908 42.84766       72.27418 
1 1 1 -6  6  11 o 409.4037 43.40938 4.307758       0.8666614 3.913362       1.150556  4.825036       1.317657  387.6809 60.60466 431.1265 62.16568 -43.44562      86.81876 
1 1 1 -6  6  12 o 1246.141 34.08626 39.75559       2.115560  41.23184       2.784125  37.73862       3.254305  1274.211 43.15825 1218.072 52.77176 56.13855       68.17252 
1 1 1 -6  6  13 o 1312.316 45.62257 44.33699       2.830343  44.81676       3.456714  43.36103       4.930185  1326.496 51.47231 1298.135 75.34107 28.36145       91.24514 
1 1 1 -6  6  14 o 1041.703 44.84608 27.26267       2.251272  25.85687       2.771391  29.99002       3.860181  1004.944 54.67761 1078.462 71.09882 -73.51813      89.69215 
1 1 1 -6  6  15 o 1181.849 47.62863 35.34848       2.745975  38.78878       4.578356  33.41559       3.431739  1223.589 74.25907 1140.108 59.66185 83.48071       95.25726 
1 1 1 -6  6  16 o 470.4420 64.25283 5.917159       1.467815  7.197215       2.221618  4.925518       1.955384  516.7458 88.07812 424.1381 93.57323 92.60776       128.5057 
1 1 1 -6  6  17 o 321.2244 64.08909 2.836649       1.061112  2.879507       1.322115  2.759071       1.778790  323.8699 80.87690 318.5788 99.44129 5.291138       128.1782 
1 1 1 -6  6  18 o 477.6381 52.22265 5.689023       1.173868  4.105614       1.454620  8.645692       1.987716  386.8599 76.97765 568.4164 70.59222 -181.5565      104.4453 
1 1 1 -6  6  19 o 652.3802 50.09008 11.46035       1.603018  13.79993       2.317088  9.312635       2.220043  720.2982 64.21331 584.4624 76.89417 135.8358       100.1802 
1 1 1 -6  6  20 o 557.4849 57.49043 9.162217       1.461555  12.05645       1.989427  5.768372       2.154307  672.4078 59.03785 442.5620 98.66677 229.8459       114.9809 
1 1 1 -6  6  21 o 575.0917 56.71908 9.376489       1.598637  8.783953       2.136356  10.13048       2.409910  556.0283 78.04053 594.1552 82.32796 -38.12695      113.4382 
1 1 1 -6  6  22 o 513.5691 59.80126 7.949430       1.454915  9.864304       2.011528  5.848665       2.106905  593.7351 68.15417 433.4031 98.28414 160.3320       119.6025 
1 1 1 -6  6  23 o 251.8736 70.79539 1.389951       1.366378  0.3928481      1.761250  2.897283       2.165488  206.2984 89.87642 297.4489 109.4083 -91.15047      141.5908 
1 1 1 -6  7  1  o 3487.880 72.77128 309.2358       12.13458  318.3421       21.07443  304.7192       14.84183  3519.667 118.2689 3456.094 84.82391 63.57275       145.5426 
1 1 1 -6  7  2  o 2121.066 51.82296 113.7044       5.246150  112.2452       6.406169  116.6755       9.141135  2102.241 60.19109 2139.890 84.37717 -37.64893      103.6459 
1 1 1 -6  7  3  o 1672.667 47.03572 72.31745       3.733176  67.31113       6.415132  74.88093       4.590514  1627.130 77.87527 1718.204 52.77193 -91.07336      94.07143 
1 1 1 -6  7  4  o 4124.252 63.17333 433.2148       12.91400  429.9945       20.42107  435.3608       16.67068  4109.386 98.15623 4139.117 79.55396 -29.73096      126.3467 
1 1 1 -6  7  5  o 820.1089 38.12713 16.83368       1.398467  16.51963       1.630878  17.70604       2.718132  807.4484 39.89543 832.7695 64.98512 -25.32111      76.25426 
1 1 1 -6  7  6  o 914.1230 47.71708 21.75248       2.106390  28.77918       3.011394  15.02121       2.947407  1063.500 56.12899 764.7460 77.18299 298.7542       95.43415 
1 1 1 -6  7  7  o 2647.662 60.63346 179.1238       7.668459  178.6549       13.24058  179.3605       9.406712  2641.210 99.01941 2654.114 70.00590 -12.90356      121.2669 
1 1 1 -6  7  8  o 905.8080 46.78079 20.89873       2.137973  0.000000       0.000000  20.89873       2.137973  ?        ?        905.8080 46.78079 ?              ?        
1 1 1 -6  7  9  o 923.8492 33.98269 21.73322       1.583647  21.51461       2.214088  21.96221       2.266047  919.1179 47.74615 928.5805 48.36938 -9.462585      67.96537 
1 1 1 -6  7  10 o 453.4783 40.42409 5.228138       0.8994879 6.193367       1.368807  4.494548       1.193311  490.4745 56.13509 416.4820 58.18316 73.99249       80.84818 
1 1 1 -6  7  11 o 451.7158 44.23227 5.278464       0.9815364 5.454228       1.453365  5.131071       1.330909  458.4205 64.39816 445.0111 60.65352 13.40936       88.46453 
1 1 1 -6  7  12 o 441.9620 44.65253 5.102799       0.9650003 5.346162       1.319374  4.822849       1.415079  454.3386 58.73443 429.5854 67.27304 24.75317       89.30507 
1 1 1 -6  7  13 o 756.3577 53.93631 15.00491       2.009457  13.15925       2.943965  16.61489       2.749586  710.1156 83.48127 802.5998 68.31821 -92.48419      107.8726 
1 1 1 -6  7  14 o 243.2848 56.25658 -0.2693931E-01 0.9977007 -1.839158      1.233454  3.402505       1.696796  131.1155 63.09095 355.4541 93.15978 -224.3386      112.5132 
1 1 1 -6  7  15 o 601.2264 48.32630 8.837083       1.339837  7.948680       1.586423  11.04729       2.502249  553.8889 57.40703 648.5639 77.75705 -94.67505      96.65260 
1 1 1 -6  7  16 o 357.6895 57.08092 3.382087       0.9908420 2.986715       1.263301  4.014109       1.597240  331.7393 76.74397 383.6396 84.51798 -51.90036      114.1618 
1 1 1 -6  7  17 o 160.7401 51.12293 -0.6721451     0.9102875 0.1321626      1.115333  -2.276761      1.575357  174.1631 73.58656 147.3171 70.98756 26.84593       102.2459 
1 1 1 -6  7  18 o 296.8557 60.59031 2.456350       1.144379  3.999820       1.462150  0.1594887E-01  1.838541  380.6271 78.48412 213.0842 92.33086 167.5430       121.1806 
1 1 1 -6  7  19 o 783.2506 41.85222 15.66593       1.606736  13.86451       2.019455  18.77335       2.652322  725.7718 55.37847 840.7294 62.76669 -114.9576      83.70444 
1 1 1 -6  7  20 o 327.9847 68.54984 3.136987       1.286100  4.415236       1.817314  1.854492       1.820330  387.0469 93.73824 268.9224 100.0473 118.1245       137.0997 
1 1 1 -6  7  21 f 269.2812 66.03814 1.535177       1.304029  3.841077       1.874858  -0.6257221     1.814953  350.7608 100.4492 187.8016 85.75610 162.9592       132.0763 
1 1 1 -6  7  22 o 273.4904 70.96758 2.125462       1.303296  1.494686       1.781003  2.852645       1.912268  245.6655 96.98724 301.3154 103.6295 -55.64986      141.9352 
1 1 1 -6  7  23 o 277.1225 79.98629 2.314177       1.762058  1.676403       3.045012  2.635259       2.160546  269.0887 117.6774 285.1564 108.3663 -16.06775      159.9726 
1 1 1 -6  8  1  o 857.6321 40.69486 18.82093       1.627390  18.53863       2.895776  18.95125       1.967477  851.7887 67.70926 863.4755 45.16352 -11.68683      81.38972 
1 1 1 -6  8  2  o 746.3621 32.14833 14.17450       1.208789  13.95767       1.714816  14.38864       1.704205  740.6263 45.96046 752.0980 44.96327 -11.47168      64.29665 
1 1 1 -6  8  3  o 1157.328 42.27058 34.03642       2.318308  34.02816       2.829061  34.05329       4.044968  1158.591 48.23124 1156.065 69.43311 2.526123       84.54117 
1 1 1 -6  8  4  o 2920.283 47.87235 217.4496       6.917039  211.8543       10.94172  221.1743       8.927183  2887.932 74.83678 2952.633 59.72021 -64.70142      95.74470 
1 1 1 -6  8  5  o 1400.505 32.85687 49.71310       2.275467  49.80462       3.632077  49.65398       2.919407  1401.328 51.19547 1399.682 41.19853 1.646240       65.71374 
1 1 1 -6  8  6  o 391.6487 37.06479 3.964732       0.7154356 4.203987       1.016209  3.729605       1.007406  403.8049 50.83480 379.4925 53.95386 24.31244       74.12959 
1 1 1 -6  8  7  o 2485.686 67.53438 158.6107       8.498010  156.7670       12.04379  160.4386       11.99237  2471.023 96.27262 2500.348 94.73727 -29.32495      135.0688 
1 1 1 -6  8  8  o 2977.147 108.3170 228.8318       16.32603  0.000000       0.000000  228.8318       16.32603  ?        ?        2977.147 108.3170 ?              ?        
1 1 1 -6  8  9  o 1725.801 48.35761 76.52515       3.972656  73.96793       6.852143  77.81992       4.875733  1701.935 79.52431 1749.667 55.04287 -47.73193      96.71522 
1 1 1 -6  8  10 f 1991.774 59.37593 100.9007       5.987342  0.000000       0.000000  100.9007       5.987342  ?        ?        1991.774 59.37593 ?              ?        
1 1 1 -6  8  11 o 1512.128 47.23553 59.52823       3.375692  55.00607       5.798782  61.84627       4.151683  1464.704 78.48482 1559.551 52.58245 -94.84741      94.47105 
1 1 1 -6  8  12 o 1032.814 41.91711 27.83070       1.954462  28.57374       2.318562  26.00632       3.633020  1060.254 43.19416 1005.374 71.85012 54.88037       83.83421 
1 1 1 -6  8  13 o 558.0355 60.08818 8.230756       1.639918  8.681686       2.289436  7.755594       2.350143  575.1017 80.86620 540.9693 88.89892 34.13239       120.1764 
1 1 1 -6  8  14 o 1121.769 38.65312 32.26039       2.181998  35.83567       3.108761  28.78876       3.063364  1184.462 51.84209 1059.076 57.34677 125.3860       77.30624 
1 1 1 -6  8  15 o 420.3643 55.39397 4.627528       1.104238  4.315015       1.386790  5.168925       1.825301  402.8826 70.56192 437.8460 85.41066 -34.96335      110.7879 
1 1 1 -6  8  16 o 897.7842 39.22968 21.50376       1.673746  23.15216       2.102169  18.64915       2.766369  950.7022 43.67566 844.8661 65.17905 105.8361       78.45937 
1 1 1 -6  8  17 o 537.6837 79.00613 10.92181       1.567195  12.06180       1.692131  4.045916       4.155745  681.9013 49.34848 393.4660 150.1086 288.4353       158.0123 
1 1 1 -6  8  18 o 1297.950 40.99274 44.02721       2.691788  42.75049       3.722006  45.42722       3.897586  1278.588 57.49934 1317.312 58.44180 -38.72375      81.98547 
1 1 1 -6  8  19 o 221.1422 64.36040 0.5656151      1.148831  0.1212826      1.484495  1.229069       1.813969  194.4809 83.61506 247.8036 97.86504 -53.32271      128.7208 
1 1 1 -6  8  20 o 288.5776 62.97162 2.371383       1.118715  3.603394       1.514874  0.8935160      1.659155  351.1307 85.91845 226.0245 92.08540 125.1062       125.9432 
1 1 1 -6  8  21 o 332.7168 69.80348 3.402894       1.257937  2.876609       1.670728  4.091767       1.911459  305.5724 96.52254 359.8611 100.8638 -54.28870      139.6070 
1 1 1 -6  8  22 o 377.1369 90.82416 4.587390       1.744770  4.163110       1.918618  6.615426       4.194691  358.7701 101.2269 395.5037 150.8284 -36.73361      181.6483 
1 1 1 -6  8  23 o 561.6541 79.79375 10.31137       2.119155  13.91125       3.612312  8.422330       2.616750  626.0596 118.3040 497.2484 107.1090 128.8112       159.5875 
1 1 1 -6  9  1  o 2880.052 64.22668 209.6745       8.834255  215.2636       15.37414  206.9194       10.79426  2906.090 104.4957 2854.014 74.70557 52.07568       128.4534 
1 1 1 -6  9  2  o 1925.884 40.44904 94.09481       3.943336  92.39342       5.580042  95.79215       5.573401  1908.453 57.75271 1943.316 56.64914 -34.86279      80.89809 
1 1 1 -6  9  3  o 1332.220 35.16403 45.00048       2.371624  44.52469       3.346737  45.48042       3.361277  1325.140 49.88571 1339.301 49.57269 -14.16052      70.32806 
1 1 1 -6  9  4  o 2744.447 46.78113 194.4153       6.304817  177.5191       9.984497  205.6205       8.130968  2642.382 74.63575 2846.511 56.42164 -204.1289      93.56226 
1 1 1 -6  9  5  o 1484.899 35.97383 55.98358       2.703701  54.88113       3.838476  57.06911       3.808915  1470.330 51.56562 1499.467 50.17424 -29.13660      71.94767 
1 1 1 -6  9  6  o 1706.468 47.61393 74.84256       3.871756  76.13918       4.757277  72.29885       6.663249  1730.537 54.29926 1682.399 78.23003 48.13794       95.22787 
1 1 1 -6  9  7  o 2009.799 59.53756 103.7329       6.037762  93.96527       8.530154  113.5398       8.547242  1913.635 88.04691 2105.963 80.16625 -192.3280      119.0751 
1 1 1 -6  9  8  o 2184.080 61.79086 121.4685       6.832448  0.000000       0.000000  121.4685       6.832448  ?        ?        2184.080 61.79086 ?              ?        
1 1 1 -6  9  9  o 1955.280 52.68510 99.89409       4.854514  104.4965       5.952662  90.75491       8.388230  2027.084 58.00370 1883.475 87.96844 143.6097       105.3702 
1 1 1 -6  9  10 o 597.1834 52.07918 9.131783       1.558788  9.131783       1.558788  0.000000       0.000000  597.1834 52.07918 ?        ?        ?              ?        
1 1 1 -6  9  11 o 658.3885 45.47926 11.75219       1.371009  12.95774       1.699171  9.503084       2.320871  712.3636 47.38449 604.4134 77.64124 107.9503       90.95851 
1 1 1 -6  9  12 o 900.0420 50.98503 20.91291       2.291079  23.67711       3.286977  18.30103       3.195125  959.1823 68.13123 840.9016 75.86852 118.2807       101.9701 
1 1 1 -6  9  13 f 551.1260 60.08417 8.025699       1.604852  9.677575       2.327165  6.527714       2.216114  608.1790 77.32944 494.0729 91.98146 114.1061       120.1683 
1 1 1 -6  9  14 o 946.4840 40.21468 22.81853       1.906321  26.59644       2.841393  19.72600       2.570766  1017.693 55.35636 875.2755 58.34857 142.4172       80.42936 
1 1 1 -6  9  15 o 236.8010 57.76377 1.127004       0.8660717 0.4427793      1.117021  2.158286       1.371357  188.3426 75.98134 285.2594 87.02558 -96.91681      115.5275 
1 1 1 -6  9  16 o 341.7523 59.08634 3.348982       1.041695  4.271574       1.378408  2.120416       1.590640  398.4406 70.93306 285.0640 94.51605 113.3766       118.1727 
1 1 1 -6  9  17 o 165.5993 72.73635 -0.2053819     1.174617  -0.2053819     1.174617  0.000000       0.000000  165.5993 72.73635 ?        ?        ?              ?        
1 1 1 -6  9  18 o 284.6931 69.47993 2.114722       1.271884  2.943560       1.715300  1.102461       1.895620  321.4743 97.16339 247.9119 99.34345 73.56241       138.9599 
1 1 1 -6  9  19 o 369.3759 68.50718 4.016551       1.297735  3.829724       1.826610  4.206966       1.844063  360.3813 97.67432 378.3706 96.08674 -17.98938      137.0144 
1 1 1 -6  9  20 o 302.9985 71.77822 2.737603       1.275741  2.731370       1.617217  2.747872       2.075772  302.2334 94.89580 303.7636 107.7183 -1.530212      143.5564 
1 1 1 -6  9  21 o 343.1573 72.28040 3.574986       1.307824  2.954278       1.624797  4.717093       2.203986  308.2226 94.84821 378.0919 109.0947 -69.86926      144.5608 
1 1 1 -6  9  22 o 363.5350 86.68825 3.429685       1.643046  2.118862       1.845549  8.438791       3.607727  267.1104 100.4683 459.9595 141.2994 -192.8491      173.3765 
1 1 1 -6  10 1  o 1541.960 38.09764 60.32189       2.974093  60.44386       4.207733  60.20012       4.204276  1543.520 53.84584 1540.401 53.91056 3.119385       76.19529 
1 1 1 -6  10 2  f 692.4950 42.19690 12.87724       1.174862  11.19063       2.495996  13.35728       1.331600  658.9738 76.22237 726.0161 36.22795 -67.04230      84.39381 
1 1 1 -6  10 3  o 3377.529 59.23142 290.7421       10.12780  287.8272       14.33253  293.6492       14.31322  3360.490 84.24357 3394.569 83.28545 -34.07886      118.4628 
1 1 1 -6  10 4  o 1733.752 38.60796 76.33895       3.387540  79.34077       4.833989  73.44228       4.748563  1767.297 54.02721 1700.208 55.16665 67.08923       77.21592 
1 1 1 -6  10 5  o 2807.483 73.21564 202.8321       10.40624  201.6652       14.73767  203.9923       14.69570  2799.231 103.9936 2815.736 103.0896 -16.50513      146.4313 
1 1 1 -6  10 6  o 1824.685 48.14629 83.54951       4.232235  80.47343       5.192266  89.63918       7.305585  1777.635 57.69399 1871.734 77.09516 -94.09888      96.29258 
1 1 1 -6  10 7  o 972.9122 66.93434 24.25500       3.276845  24.25500       3.276845  0.000000       0.000000  972.9122 66.93434 ?        ?        ?              ?        
1 1 1 -6  10 8  o 2040.871 52.14826 106.7144       5.064650  104.9205       8.778790  107.6093       6.200589  2025.194 85.62180 2056.548 59.55394 -31.35352      104.2965 
1 1 1 -6  10 9  o 966.0827 33.95473 23.70441       1.660723  23.71287       2.351513  23.69600       2.345731  966.2512 48.06995 965.9142 47.96848 0.3369141      67.90946 
1 1 1 -6  10 10 o 794.0850 34.52422 16.08992       1.380254  16.15456       1.919236  16.02067       1.986445  795.8653 47.85514 792.3047 49.77522 3.560547       69.04844 
1 1 1 -6  10 11 o 1140.625 34.94242 33.11846       2.017577  33.16740       2.833198  33.06810       2.873803  1141.530 49.02370 1139.719 49.80529 1.810303       69.88483 
1 1 1 -6  10 12 o 835.3445 45.33418 18.82666       1.746182  20.49985       2.152456  15.60564       2.986469  895.7499 47.63516 774.9391 77.14688 120.8108       90.66835 
1 1 1 -6  10 13 o 1128.773 73.30799 32.97266       4.166612  32.97266       4.166612  0.000000       0.000000  1128.773 73.30799 ?        ?        ?              ?        
1 1 1 -6  10 14 o 590.8982 62.31319 9.217606       1.760018  8.906674       2.233932  9.726463       2.857824  580.8229 77.93614 600.9734 97.25066 -20.15051      124.6264 
1 1 1 -6  10 15 o 562.8872 50.79841 8.395584       1.412568  8.000740       2.007187  8.783031       1.988292  548.7857 74.14194 576.9887 69.46140 -28.20300      101.5968 
1 1 1 -6  10 16 o 290.6184 56.73787 2.487845       1.087203  3.984207       1.297186  -1.044780      1.993116  384.2625 69.22542 196.9742 89.91431 187.2883       113.4757 
1 1 1 -6  10 17 o 967.7012 60.93767 25.29650       2.165413  25.19510       2.373777  25.79922       5.285423  986.8077 47.51424 948.5948 112.2319 38.21289       121.8753 
1 1 1 -6  10 18 o 499.7177 62.32370 7.135901       1.501591  7.938215       2.040099  6.187387       2.218203  537.1694 77.23780 462.2659 97.83302 74.90356       124.6474 
1 1 1 -6  10 19 o 376.1253 71.64565 4.291384       1.403375  3.762098       2.060086  4.749688       1.916977  351.9597 106.5052 400.2909 95.85948 -48.33127      143.2913 
1 1 1 -6  10 20 o 392.7408 65.01053 4.745391       1.261132  5.090738       1.644767  4.252697       1.964560  418.0515 80.63466 367.4301 101.9977 50.62146       130.0211 
1 1 1 -6  10 21 o 236.5909 65.86143 1.367991       1.179449  1.807725       1.542445  0.7488718      1.830215  252.1139 92.39708 221.0680 93.88128 31.04588       131.7229 
1 1 1 -6  10 22 o 221.8560 72.32523 0.5532290E-01  1.534855  0.6808636E-01  1.703065  0.1170655E-03  3.541927  193.8138 86.23805 249.8981 116.1325 -56.08440      144.6505 
1 1 1 -6  11 1  o 1503.901 43.65598 58.26924       3.139732  59.90043       3.882559  55.18660       5.337369  1535.930 49.93018 1471.872 71.62649 64.05798       87.31195 
1 1 1 -6  11 2  o 2680.829 99.32249 184.3000       13.48032  0.000000       0.000000  184.3000       13.48032  ?        ?        2680.829 99.32249 ?              ?        
1 1 1 -6  11 3  o 2536.484 96.05980 165.1136       12.33552  0.000000       0.000000  165.1136       12.33552  ?        ?        2536.484 96.05980 ?              ?        
1 1 1 -6  11 4  o 435.2216 34.64162 4.824462       0.7458376 5.487186       1.121845  4.299507       0.9984524 462.1027 48.68501 408.3406 49.29439 53.76208       69.28324 
1 1 1 -6  11 5  o 2033.540 51.77672 107.3233       5.001544  110.5456       6.149923  101.0288       8.595380  2083.040 58.31610 1984.040 85.57188 98.99976       103.5534 
1 1 1 -6  11 6  o 1067.868 40.82784 28.61621       2.093541  30.61674       3.612694  27.60474       2.568840  1093.665 65.54966 1042.071 48.69181 51.59387       81.65568 
1 1 1 -6  11 7  o 1378.663 51.01324 48.62347       3.547202  47.10515       4.992015  50.17195       5.041349  1356.705 72.94649 1400.620 71.33172 -43.91553      102.0265 
1 1 1 -6  11 8  o 1149.656 43.94104 35.06094       2.353394  29.99285       4.043553  37.65712       2.894060  1081.612 74.29324 1217.700 46.94439 -136.0874      87.88209 
1 1 1 -6  11 9  o 1786.087 39.84442 81.17009       3.602639  82.59024       5.115123  79.77218       5.074918  1801.633 56.07976 1770.542 56.61601 31.09119       79.68884 
1 1 1 -6  11 10 o 670.0316 35.55806 11.49038       1.197173  11.31703       1.698953  11.66134       1.687225  664.9011 50.85653 675.1620 49.71033 -10.26093      71.11613 
1 1 1 -6  11 11 o 329.3598 49.98980 2.914220       0.8044749 3.132943       1.077293  2.638492       1.209558  344.5166 64.12449 314.2030 76.70704 30.31363       99.97960 
1 1 1 -6  11 12 o 1017.088 45.76227 28.14583       2.138075  31.08468       2.634477  22.47511       3.659528  1104.199 47.12630 929.9759 78.45924 174.2233       91.52454 
1 1 1 -6  11 13 o 358.9240 71.18217 3.481416       1.345113  3.682496       1.948298  3.298273       1.859369  368.2032 101.3273 349.6448 100.0019 18.55838       142.3643 
1 1 1 -6  11 14 o 471.3474 56.81858 5.806519       1.291062  6.974898       2.032486  5.016187       1.671630  510.6662 81.34414 432.0285 79.35070 78.63776       113.6372 
1 1 1 -6  11 15 o 1386.806 35.59865 49.41186       2.460196  48.80634       3.200197  50.28682       3.846863  1378.495 45.85513 1395.118 54.46433 -16.62305      71.19730 
1 1 1 -6  11 16 o 545.7706 78.58792 8.290948       1.519465  8.193105       1.639317  8.887632       4.048275  557.5431 58.97161 533.9981 145.6935 23.54498       157.1758 
1 1 1 -6  11 17 o 531.2821 81.77568 7.797956       2.129004  7.797956       2.129004  0.000000       0.000000  531.2821 81.77568 ?        ?        ?              ?        
1 1 1 -6  11 18 o 198.1429 61.00686 -0.3243079     1.224658  0.8629010      1.640319  -1.819499      1.840828  226.8483 91.87826 169.4374 80.28531 57.41092       122.0137 
1 1 1 -6  11 19 o 508.5862 61.43725 7.319389       1.508728  6.301034       1.965192  8.781209       2.354521  465.9708 86.48762 551.2017 87.28136 -85.23090      122.8745 
1 1 1 -6  11 20 o 310.2826 71.09692 2.160435       1.268423  0.8403743      1.495625  5.542367       2.393911  212.7882 87.14472 407.7770 112.3605 -194.9889      142.1938 
1 1 1 -6  11 21 o 360.7004 72.10118 4.492324       1.430397  5.287097       1.800083  3.130701       2.356131  414.6001 88.45571 306.8006 113.8855 107.7995       144.2024 
1 1 1 -6  11 22 o 343.4875 85.40272 4.116382       1.564747  3.895059       1.697451  5.368139       4.036866  343.3485 94.61751 343.6266 142.2042 -0.2780457     170.8054 
1 1 1 -6  12 1  o 566.7601 31.29084 8.254893       0.8833253 7.792732       1.312370  8.637684       1.194372  551.6826 47.44931 581.8375 40.80476 -30.15491      62.58167 
1 1 1 -6  12 2  o 1907.782 58.47175 93.37026       5.643632  91.86065       8.091972  94.80003       7.875050  1892.230 84.46889 1923.334 80.87514 -31.10339      116.9435 
1 1 1 -6  12 3  o 1978.194 84.83927 100.4621       8.496685  100.4621       8.496685  0.000000       0.000000  1978.194 84.83927 ?        ?        ?              ?        
1 1 1 -6  12 4  o 3039.278 67.45280 239.8322       9.758134  243.5197       11.97907  232.5591       16.82364  3083.744 76.72930 2994.812 110.9601 88.93164       134.9056 
1 1 1 -6  12 5  o 1124.984 34.82331 32.18972       1.978941  35.00755       2.822049  29.46346       2.775814  1173.615 47.49581 1076.353 50.93917 97.26160       69.64661 
1 1 1 -6  12 6  o 2182.549 60.88967 121.2925       6.728081  0.000000       0.000000  121.2925       6.728081  ?        ?        2182.549 60.88967 ?              ?        
1 1 1 -6  12 7  o 3186.486 68.89133 259.2438       10.49849  256.1272       12.85515  265.4853       18.19190  3165.282 80.21970 3207.690 112.0217 -42.40796      137.7827 
1 1 1 -6  12 8  o 639.6255 48.13700 10.45418       1.547364  0.000000       0.000000  10.45418       1.547364  ?        ?        639.6255 48.13700 ?              ?        
1 1 1 -6  12 9  o 494.6854 36.41055 6.275904       0.8964110 6.552526       1.323464  6.041432       1.218468  504.6686 52.57076 484.7022 50.39075 19.96643       72.82110 
1 1 1 -6  12 10 o 2024.298 42.16129 104.6840       4.320842  105.2050       6.124579  104.1678       6.096703  2029.316 59.61327 2019.280 59.63686 10.03577       84.32257 
1 1 1 -6  12 11 f 738.0695 36.23688 13.97712       1.344212  13.27664       1.900475  14.67838       1.901531  719.2224 52.55730 756.9166 49.90165 -37.69421      72.47375 
1 1 1 -6  12 12 o 1062.072 45.75256 30.01386       2.262497  31.82366       2.773934  26.41727       3.910446  1116.313 49.08249 1007.830 77.22755 108.4830       91.50511 
1 1 1 -6  12 13 o 1426.962 54.30632 53.07327       3.906370  49.40708       5.526004  56.73532       5.522881  1375.117 79.71780 1478.807 73.76841 -103.6902      108.6126 
1 1 1 -6  12 14 o 1040.483 40.06208 27.73462       2.090740  30.95306       3.164642  25.24189       2.785096  1093.349 57.37220 987.6178 55.93130 105.7312       80.12415 
1 1 1 -6  12 15 o 792.1533 38.94315 16.75834       1.507911  19.58809       2.044429  13.38235       2.233051  870.8766 46.53791 713.4299 62.45396 157.4467       77.88629 
1 1 1 -6  12 16 o 675.6813 40.42334 11.93296       1.331906  11.67609       1.690915  12.35287       2.161906  668.9650 50.29500 682.3975 63.29770 -13.43250      80.84668 
1 1 1 -6  12 17 o 437.6991 69.36281 5.232410       1.485794  5.232410       1.485794  0.000000       0.000000  437.6991 69.36281 ?        ?        ?              ?        
1 1 1 -6  12 18 o 486.2180 86.78292 6.773057       2.057870  6.773057       2.057870  0.000000       0.000000  486.2180 86.78292 ?        ?        ?              ?        
1 1 1 -6  12 19 o 303.4009 74.25912 2.671340       1.904258  4.860496       2.082920  -8.472388      4.699478  393.0145 103.3194 213.7874 106.6901 179.2271       148.5182 
1 1 1 -6  12 20 o 256.7475 74.32369 1.632783       1.537525  1.350997       2.345875  1.844986       2.035735  252.5793 106.7198 260.9158 103.4743 -8.336487      148.6474 
1 1 1 -6  12 21 o 342.5590 71.63367 3.363676       1.549020  7.097546       2.411276  0.7400045      2.021259  461.3132 105.5331 223.8047 96.89320 237.5085       143.2673 
1 1 1 -6  12 22 o 262.4061 73.24263 2.285142       1.632501  3.304010       1.777076  -3.223321      4.132017  306.7786 99.81470 218.0337 107.2145 88.74489       146.4853 
1 1 1 -6  13 1  o 2176.433 62.94054 121.9129       6.931197  120.2019       9.928597  123.5395       9.680496  2160.839 90.75738 2192.028 87.23040 -31.18945      125.8811 
1 1 1 -6  13 2  o 758.6539 40.28317 14.52270       1.506943  13.66681       1.928277  15.86555       2.415323  730.9041 52.45947 786.4037 61.14688 -55.49963      80.56635 
1 1 1 -6  13 3  o 690.1442 39.33696 12.55857       1.302961  13.67940       1.670018  10.81484       2.083002  732.3113 45.26644 647.9771 64.34698 84.33429       78.67391 
1 1 1 -6  13 4  f 1660.646 37.91805 70.14887       3.186729  72.81174       4.535732  67.55308       4.478248  1691.867 52.95386 1629.424 54.28631 62.44226       75.83611 
1 1 1 -6  13 5  o 1435.141 51.74539 52.36340       3.759671  0.000000       0.000000  52.36340       3.759671  ?        ?        1435.141 51.74539 ?              ?        
1 1 1 -6  13 6  o 1810.685 48.28802 81.78082       4.219976  89.63457       7.288077  77.81962       5.175916  1872.839 76.86503 1748.530 58.46965 124.3092       96.57604 
1 1 1 -6  13 7  f 802.3846 39.98719 15.77700       1.529900  14.44916       1.853272  18.61781       2.710748  752.3968 48.91863 852.3725 63.26822 -99.97571      79.97437 
1 1 1 -6  13 8  o 2071.537 60.35384 109.4396       6.329672  0.000000       0.000000  109.4396       6.329672  ?        ?        2071.537 60.35384 ?              ?        
1 1 1 -6  13 9  o 1973.179 41.86230 99.43951       4.181647  100.9540       5.931318  97.94287       5.896323  1988.198 58.92614 1958.160 59.47705 30.03748       83.72460 
1 1 1 -6  13 10 o 665.2855 36.02180 11.33146       1.200893  12.49079       1.741819  10.28111       1.657923  698.0605 49.60932 632.5104 52.24171 65.55005       72.04360 
1 1 1 -6  13 11 o 915.0084 35.67698 21.46313       1.644781  20.42826       2.325890  22.49832       2.326254  892.5972 51.69074 937.4195 49.18794 -44.82227      71.35395 
1 1 1 -6  13 12 o 1341.232 47.11622 47.42184       2.953839  49.15154       3.601353  43.86629       5.163391  1385.606 51.33841 1296.858 79.01974 88.74768       94.23244 
1 1 1 -6  13 13 o 912.4967 50.58073 21.78497       2.315795  23.06306       3.315919  20.56804       3.235614  939.2881 70.23866 885.7053 72.80228 53.58276       101.1615 
1 1 1 -6  13 14 o 720.4086 47.65249 13.55782       1.656625  14.17147       2.748048  13.20751       2.076324  729.5599 75.49337 711.2573 58.17036 18.30255       95.30499 
1 1 1 -6  13 15 o 820.5353 38.36347 17.62094       1.570423  17.88498       2.097367  17.28400       2.369228  829.3842 50.18625 811.6864 58.03759 17.69781       76.72694 
1 1 1 -6  13 16 o 478.4729 52.90985 6.293009       1.220565  6.366353       1.601500  6.191369       1.885292  485.4254 66.94739 471.5204 81.95033 13.90497       105.8197 
1 1 1 -6  13 17 o 485.7366 83.23454 7.325211       1.473485  7.371475       1.568777  6.978729       4.293180  524.0601 60.22287 447.4131 155.1940 76.64703       166.4691 
1 1 1 -6  13 18 o 285.0948 72.59481 2.315746       1.331970  2.606144       1.646125  1.765066       2.266813  297.1209 96.01816 273.0687 108.9061 24.05225       145.1896 
1 1 1 -6  13 19 o 422.0770 70.42208 5.531913       1.456894  5.092885       1.874252  6.202177       2.315819  406.0353 93.15453 438.1187 105.6376 -32.08337      140.8442 
1 1 1 -6  13 20 o 228.4832 68.39703 0.6132611      1.508403  2.115042       1.945119  -1.652323      2.389093  266.3218 102.4347 190.6446 90.66280 75.67725       136.7941 
1 1 1 -6  13 21 o 262.5652 81.45398 1.687880       1.567068  1.766246       1.647040  0.9391879      5.090869  245.3282 94.28350 279.8023 132.8519 -34.47417      162.9080 
1 1 1 -6  14 1  o 1183.570 39.50531 35.55949       2.367190  0.000000       0.000000  35.55949       2.367190  ?        ?        1183.570 39.50531 ?              ?        
1 1 1 -6  14 2  f 1604.040 46.28668 70.15185       3.141744  57.42858       6.221356  74.50721       3.639971  1495.103 82.51153 1712.976 41.97232 -217.8728      92.57336 
1 1 1 -6  14 3  o 1632.237 46.86953 68.95135       3.637180  64.94064       6.243336  71.01186       4.474985  1593.566 77.38609 1670.908 52.89997 -77.34143      93.73907 
1 1 1 -6  14 4  o 1837.839 47.52786 82.95745       4.235669  97.17767       7.324493  75.81260       5.191837  1950.248 74.18293 1725.430 59.43470 224.8184       95.05573 
1 1 1 -6  14 5  o 1429.913 43.40721 50.55886       3.009247  57.35005       5.178739  47.09687       3.697553  1499.185 68.23153 1360.642 53.67683 138.5430       86.81441 
1 1 1 -6  14 6  o 1092.064 41.83709 30.91851       2.174292  28.96922       3.690287  31.95502       2.690982  1062.914 68.94913 1121.213 47.40661 -58.29907      83.67419 
1 1 1 -6  14 7  o 1434.090 45.36588 52.91599       3.081713  53.54228       3.769521  51.65379       5.351315  1450.208 51.34194 1417.972 74.80814 32.23572       90.73176 
1 1 1 -6  14 8  o 208.3091 48.64794 0.9879662      0.6172658 0.5310277      0.8419767 1.518913       0.9076042 175.5925 67.42843 241.0255 70.14196 -65.43300      97.29588 
1 1 1 -6  14 9  o 2277.446 45.40393 133.0112       5.234883  134.6658       7.418022  131.3698       7.388552  2291.679 63.93676 2263.212 64.48377 28.46729       90.80785 
1 1 1 -6  14 10 o 1633.625 38.85139 68.28712       3.212949  69.47308       4.576309  67.13426       4.511967  1647.637 54.86182 1619.613 55.02639 28.02417       77.70279 
1 1 1 -6  14 11 o 683.2412 36.40446 12.01094       1.249784  11.74317       1.750701  12.28921       1.784712  675.4114 51.58900 691.0710 51.37815 -15.65961      72.80893 
1 1 1 -6  14 12 o 506.3656 53.36774 6.416829       1.214921  5.877847       1.428815  7.823697       2.308427  473.6035 61.00914 539.1276 87.58052 -65.52411      106.7355 
1 1 1 -6  14 13 o 747.9954 44.55495 13.92648       1.602806  12.29648       1.960723  17.20960       2.782695  687.1317 56.87409 808.8591 68.59966 -121.7274      89.10990 
1 1 1 -6  14 14 o 593.2563 54.22048 9.349343       1.491799  9.947182       2.622684  9.063407       1.813800  601.0507 88.86837 585.4620 62.14383 15.58868       108.4410 
1 1 1 -6  14 15 o 615.4017 41.73966 10.00273       1.281325  9.669956       1.741253  10.39574       1.892287  604.8366 57.55850 625.9669 60.46336 -21.13031      83.47932 
1 1 1 -6  14 16 o 777.8474 40.04613 16.16376       1.544028  17.10158       2.064323  14.97286       2.326234  807.1483 50.77615 748.5466 61.93991 58.60175       80.09225 
1 1 1 -6  14 17 o 474.6466 58.22178 6.534835       1.291262  6.898250       1.632896  5.928281       2.109562  502.2368 65.80242 447.0564 96.06842 55.18036       116.4436 
1 1 1 -6  14 18 o 197.5203 55.66137 -0.2358452     1.101186  1.923257       1.392870  -3.834796      1.798299  258.9951 88.46154 136.0455 67.58188 122.9495       111.3227 
1 1 1 -6  14 19 o 463.2599 72.84022 7.055810       1.632342  7.278217       2.081608  6.700643       2.630515  488.6404 87.35056 437.8794 116.5876 50.76099       145.6804 
1 1 1 -6  14 20 o 377.8929 67.61678 4.598683       1.415282  7.347949       2.096470  2.296649       1.918387  485.7100 88.51800 270.0758 102.2383 215.6341       135.2336 
1 1 1 -6  14 21 o 333.0978 73.21070 3.986274       1.356801  4.010812       1.749419  3.949235       2.149359  341.5724 96.76059 324.6232 109.8936 16.94922       146.4214 
1 1 1 -6  15 1  o 1935.951 44.42321 92.70694       3.824838  101.5419       7.641019  89.75303       4.418212  1992.562 75.74533 1879.340 46.43630 113.2217       88.84641 
1 1 1 -6  15 2  o 1128.443 40.58964 32.72878       2.198130  31.66299       3.705409  33.30750       2.730465  1112.099 66.11026 1144.786 47.11167 -32.68774      81.17928 
1 1 1 -6  15 3  o 1174.210 41.94245 35.61648       2.378657  33.64594       3.928688  36.75690       2.988725  1146.065 68.01469 1202.355 49.09866 -56.28967      83.88490 
1 1 1 -6  15 4  o 2311.218 54.94747 135.6348       6.099624  140.4197       10.50782  133.2030       7.490898  2337.666 88.78641 2284.771 64.76012 52.89502       109.8949 
1 1 1 -6  15 5  o 2077.973 52.06152 107.9054       5.229780  119.3517       9.014318  102.0980       6.420848  2156.038 82.58340 1999.907 63.41601 156.1311       104.1230 
1 1 1 -6  15 6  f 1483.677 36.72499 56.08269       2.751150  50.74450       3.842719  61.69614       3.940552  1410.899 53.79713 1556.455 50.00769 -145.5564      73.44999 
1 1 1 -6  15 7  o 1454.970 46.27094 55.52101       3.175765  50.77151       5.452793  57.95903       3.906736  1402.397 77.09658 1507.544 51.18708 -105.1471      92.54189 
1 1 1 -6  15 8  o 327.9717 49.02349 2.882113       0.7870679 2.657145       1.152033  3.079036       1.077832  315.0068 73.56915 340.9366 64.81351 -25.92984      98.04699 
1 1 1 -6  15 9  f 1261.476 35.85816 40.66348       2.289739  41.28609       3.272889  40.06660       3.204551  1270.893 50.86728 1252.058 50.55444 18.83582       71.71632 
1 1 1 -6  15 10 o 1696.582 39.37026 73.83326       3.380070  76.81830       4.803771  70.90624       4.756855  1730.886 54.81888 1662.278 56.52398 68.60864       78.74052 
1 1 1 -6  15 11 o 827.3528 35.94797 17.64941       1.495868  16.78106       2.137725  18.48253       2.093908  806.8174 52.62322 847.8882 48.98798 -41.07074      71.89594 
1 1 1 -6  15 12 o 380.2761 57.36364 3.705298       1.010512  3.259627       1.213435  4.713716       1.825279  347.1292 71.42888 413.4230 89.77898 -66.29385      114.7273 
1 1 1 -6  15 13 o 692.9437 38.40641 12.51037       1.334292  12.20405       1.825713  12.86156       1.954846  684.2505 53.11915 701.6368 55.48484 -17.38623      76.81283 
1 1 1 -6  15 14 o 665.7076 49.89054 11.38970       1.594001  13.88976       2.734692  10.10322       1.961709  715.6063 76.67729 615.8091 63.85028 99.79718       99.78108 
1 1 1 -6  15 15 f 1216.911 35.93149 38.33170       2.184557  36.51482       2.840048  40.96430       3.418650  1184.451 47.36145 1249.372 54.04795 -64.92114      71.86298 
1 1 1 -6  15 16 o 597.5394 44.59235 9.567685       1.318162  9.009477       1.739582  10.32038       2.020020  578.6962 60.25980 616.3827 65.74699 -37.68652      89.18469 
1 1 1 -6  15 17 o 334.9703 71.53855 3.490263       1.324175  3.061048       1.992780  3.829619       1.771944  315.8325 105.8205 354.1081 96.29678 -38.27563      143.0771 
1 1 1 -6  15 18 o 486.9582 55.42796 6.875387       1.313214  6.222252       1.751911  7.713036       1.983999  460.8557 77.86074 513.0607 78.90970 -52.20502      110.8559 
1 1 1 -6  15 19 o 291.2458 72.84177 2.720858       1.337670  2.085698       1.753243  3.605664       2.069305  260.8121 97.95792 321.6795 107.8329 -60.86737      145.6835 
1 1 1 -6  15 20 o 250.5625 70.63525 1.780593       1.328365  1.319071       1.715973  2.470743       2.098387  228.3349 93.40832 272.7900 105.9823 -44.45509      141.2705 
1 1 1 -6  16 1  o 1376.511 37.28207 48.24357       2.597071  46.36795       3.649173  50.16859       3.696917  1349.296 53.41996 1403.727 52.02037 -54.43066      74.56414 
1 1 1 -6  16 2  o 716.0663 41.00917 13.17759       1.427762  13.08084       2.318244  13.23672       1.812251  712.6949 64.96343 719.4377 50.06756 -6.742798      82.01834 
1 1 1 -6  16 3  o 574.9797 40.48116 8.444833       1.148765  8.945200       1.787218  8.092568       1.499572  588.8867 60.82238 561.0728 53.43719 27.81384       80.96231 
1 1 1 -6  16 4  o 980.0655 34.95422 24.53789       1.724978  22.20290       2.430463  26.90789       2.448613  931.9915 51.71320 1028.140 47.04186 -96.14807      69.90845 
1 1 1 -6  16 5  o 1390.922 36.96960 49.34991       2.602927  48.17844       3.668883  50.53711       3.693430  1374.210 52.73479 1407.633 51.82707 -33.42371      73.93919 
1 1 1 -6  16 6  o 1176.865 34.59790 35.30353       2.060683  34.22425       2.872209  36.44839       2.958185  1158.333 48.97778 1195.397 48.87981 -37.06433      69.19580 
1 1 1 -6  16 7  o 655.9189 43.32357 11.48426       1.326869  10.04190       2.234252  12.27013       1.649194  619.9973 72.55209 691.8406 47.37004 -71.84332      86.64713 
1 1 1 -6  16 8  o 368.9187 47.39626 3.694529       0.8406599 2.863003       1.230420  4.422513       1.151268  326.2281 75.92313 411.6093 56.75652 -85.38116      94.79253 
1 1 1 -6  16 9  o 1557.465 38.37114 62.21999       3.025103  61.97834       4.311054  62.45440       4.245972  1554.289 54.78580 1560.640 53.73914 -6.351318      76.74229 
1 1 1 -6  16 10 o 797.8088 37.40907 16.47873       1.496146  15.45038       2.167596  17.41445       2.067678  773.0284 55.76022 822.5894 49.88538 -49.56097      74.81814 
1 1 1 -6  16 11 o 569.9511 40.88670 8.487575       1.162581  8.614207       1.622597  8.353986       1.666560  574.7564 56.49255 565.1458 59.12259 9.610596       81.77340 
1 1 1 -6  16 12 o 655.3654 55.76837 11.59414       1.775454  9.100914       2.456883  14.31923       2.568583  576.4520 86.88355 734.2788 69.94064 -157.8268      111.5367 
1 1 1 -6  16 13 o 296.7525 56.72023 2.388014       0.8759928 1.853643       1.158160  3.102435       1.339134  260.6176 80.05805 332.8875 80.37067 -72.26984      113.4405 
1 1 1 -6  16 14 o 503.0520 57.83399 7.059993       1.304086  7.048870       2.359010  7.064889       1.564953  492.8281 97.99793 513.2759 61.44500 -20.44775      115.6680 
1 1 1 -6  16 15 o 253.7995 59.17844 1.667754       0.9053660 1.025776       1.212076  2.478022       1.361708  214.3167 81.23361 293.2823 86.07818 -78.96553      118.3569 
1 1 1 -6  16 16 o 256.1748 69.29984 1.657658       1.135576  1.831297       1.270191  0.9662521      2.534615  255.0755 84.45519 257.2741 109.8963 -2.198669      138.5997 
1 1 1 -6  16 17 o 197.3098 59.70816 0.4222208      1.038002  -0.5451726     1.934510  0.8133517      1.230072  193.6901 88.48015 200.9294 80.19677 -7.239380      119.4163 
1 1 1 -6  16 18 o 182.6951 58.44054 -0.1593792     1.107358  -0.3605585     1.915347  -0.5837075E-01 1.357172  192.4597 87.96581 172.9304 76.96235 19.52927       116.8811 
1 1 1 -6  16 19 o 285.6356 70.51070 2.757817       1.264528  3.124646       1.766721  2.372491       1.810715  302.1306 99.58311 269.1406 99.85107 32.99002       141.0214 
1 1 1 -6  16 20 f 414.6389 77.04585 6.390326       1.641578  6.676521       2.204658  6.034220       2.459233  436.3223 101.6860 392.9554 115.7766 43.36697       154.0917 
1 1 1 -6  17 1  o 440.0790 38.78360 5.032369       0.8367145 4.252237       1.168768  5.852522       1.198373  403.7032 58.92091 476.4548 50.44797 -72.75156      77.56721 
1 1 1 -6  17 2  o 1215.815 47.28207 38.61395       2.662509  36.39168       4.753106  39.63010       3.214103  1185.249 79.67368 1246.381 50.93605 -61.13232      94.56413 
1 1 1 -6  17 3  o 1030.923 34.97681 27.11744       1.824796  27.35959       2.551518  26.86390       2.610806  1035.763 48.65803 1026.083 50.25837 9.680176       69.95361 
1 1 1 -6  17 4  o 325.3866 44.72686 2.807732       0.7101325 2.937574       1.003321  2.677394       1.005239  333.3845 61.71743 317.3887 64.75282 15.99579       89.45373 
1 1 1 -6  17 5  o 556.4874 49.26273 7.997539       1.234941  8.333943       2.284980  7.858730       1.467775  561.1393 82.93042 551.8355 53.19599 9.303772       98.52547 
1 1 1 -6  17 6  o 814.5460 36.94441 17.11433       1.507805  15.36323       2.147250  18.81768       2.117771  772.4000 55.27603 856.6919 49.03180 -84.29187      73.88882 
1 1 1 -6  17 7  o 1154.257 46.23611 34.12966       2.451725  35.15534       4.540267  33.70747       2.912936  1160.854 77.70248 1147.660 50.13419 13.19397       92.47222 
1 1 1 -6  17 8  o 562.1868 40.07287 8.206694       1.120976  9.024989       1.601215  7.420141       1.569850  590.5447 54.16006 533.8290 59.07645 56.71570       80.14574 
1 1 1 -6  17 9  o 312.9110 54.21287 2.651230       0.8501394 2.562877       1.156952  2.754925       1.253388  307.4575 74.99609 318.3645 78.30534 -10.90704      108.4257 
1 1 1 -6  17 10 o 712.3572 37.05423 13.18291       1.323227  13.77386       1.834958  12.54267       1.909945  729.8643 49.95978 694.8501 54.73650 35.01416       74.10846 
1 1 1 -6  17 11 o 319.9415 64.95665 2.991910       1.081915  3.363493       1.269014  2.003059       2.070160  350.4930 73.84665 289.3900 106.8838 61.10300       129.9133 
1 1 1 -6  17 12 o 528.6638 65.70702 7.835295       1.686181  7.455106       2.256303  8.316214       2.537657  515.6951 89.67722 541.6326 96.06065 -25.93750      131.4140 
1 1 1 -6  17 13 o 178.5949 53.26160 0.1680693      0.8432727 -0.3933455     1.271696  0.6086680      1.126582  164.9715 73.87948 192.2183 76.73991 -27.24684      106.5232 
1 1 1 -6  17 14 o 566.7386 40.59121 8.581897       1.146952  8.014486       1.592032  9.194191       1.653800  546.5806 58.43820 586.8967 56.35211 -40.31610      81.18241 
1 1 1 -6  17 15 o 229.0894 52.68584 1.229065       0.8492520 -0.4192979     1.287423  2.498890       1.129970  163.2500 73.61796 294.9287 75.38958 -131.6788      105.3717 
1 1 1 -6  17 16 o 331.4510 72.47999 3.613840       1.286858  3.895091       1.451979  2.583959       2.778480  363.2332 81.01826 299.6687 120.2058 63.56448       144.9600 
1 1 1 -6  17 17 f 207.5479 61.12418 0.7906111      1.063438  -0.1383811     1.922231  1.200349       1.276593  198.5127 89.69715 216.5831 83.06073 -18.07036      122.2484 
1 1 1 -6  17 18 o 475.9395 60.43995 7.483085       1.290633  8.377335       1.595643  5.791040       2.194888  545.1986 58.73647 406.6803 105.6503 138.5183       120.8799 
1 1 1 -6  17 19 o 194.2062 60.12107 0.3875114      1.139922  0.8855425      1.604293  -0.1203231     1.620006  208.1117 88.11026 180.3007 81.82150 27.81099       120.2421 
1 1 1 -6  17 20 o 311.5944 73.54428 3.775587       1.373354  3.162147       1.894073  4.455616       1.994227  285.5873 102.7222 337.6014 105.2768 -52.01410      147.0886 
1 1 1 -6  18 1  o 1588.624 58.15714 65.74189       4.661178  66.04664       6.567302  65.43253       6.616777  1592.628 81.72480 1584.620 82.76514 8.008301       116.3143 
1 1 1 -6  18 2  o 711.2196 53.38175 13.68062       1.564386  12.38407       3.198401  14.08833       1.793570  681.3397 95.33326 741.0995 48.06261 -59.75977      106.7635 
1 1 1 -6  18 3  o 478.1810 40.27846 6.083848       0.9267181 4.756909       1.350349  7.265210       1.274125  425.2396 64.76914 531.1225 47.89963 -105.8829      80.55692 
1 1 1 -6  18 4  o 128.1451 39.15709 -0.9882330E-01 0.4736757 -0.4964581     0.7526237 0.1619882      0.6095357 120.7166 55.16189 135.5737 55.59025 -14.85710      78.31418 
1 1 1 -6  18 5  o 349.4815 48.99195 3.326726       0.8334479 2.394272       1.191785  4.219245       1.165985  298.0009 78.06210 400.9621 59.22123 -102.9612      97.98390 
1 1 1 -6  18 6  o 665.8046 49.20626 10.43986       1.493271  8.961679       1.738650  14.59615       2.915424  587.1453 59.30291 744.4639 78.53781 -157.3187      98.41251 
1 1 1 -6  18 7  o 840.1231 45.64118 17.03299       1.739319  21.55065       3.414872  15.45045       2.021131  906.2292 75.10777 774.0170 51.87766 132.2122       91.28236 
1 1 1 -6  18 8  f 894.2006 35.94664 20.65773       1.617411  21.88315       2.273045  19.40094       2.301960  921.8130 48.88055 866.5880 52.71941 55.22504       71.89329 
1 1 1 -6  18 9  o 1075.884 36.04759 29.82851       1.962077  28.31069       2.732191  31.44483       2.819457  1047.435 51.52292 1104.333 50.42918 -56.89795      72.09518 
1 1 1 -6  18 10 o 159.4160 48.50122 -0.1827095E-01 0.7094738 0.2236686      0.9234062 -0.3668881     1.108444  163.5140 67.86794 155.3180 69.30668 8.196030       97.00244 
1 1 1 -6  18 11 o 415.4597 63.99171 4.881920       1.195823  4.877738       1.404761  4.892929       2.278901  424.0588 67.71001 406.8606 108.6053 17.19818       127.9834 
1 1 1 -6  18 12 o 525.8424 70.61816 8.048267       1.809219  7.712205       2.486303  8.426487       2.637644  514.4873 99.04865 537.1976 100.6830 -22.71027      141.2363 
1 1 1 -6  18 13 o 614.1552 49.29832 10.21843       1.478383  10.98164       2.350564  9.718929       1.901586  629.2828 75.27471 599.0276 63.67902 30.25519       98.59665 
1 1 1 -6  18 14 o 411.5669 54.56807 4.881141       1.040125  5.003928       1.284994  4.647824       1.771320  427.7090 61.07760 395.4247 90.44460 32.28433       109.1361 
1 1 1 -6  18 15 o 570.5038 46.90401 8.870468       1.306896  8.122112       1.675114  10.03453       2.089190  543.2176 62.02160 597.7900 70.37943 -54.57245      93.80801 
1 1 1 -6  18 16 f 328.5495 69.45869 1.753069       1.156169  0.4354894      1.279105  7.636009       2.702806  186.0559 78.71835 471.0430 114.4616 -284.9871      138.9174 
1 1 1 -6  18 17 o 323.1208 68.75710 3.659392       1.717948  6.529056       2.117674  -1.864589      2.938122  443.5984 96.99772 202.6432 97.47612 240.9552       137.5142 
1 1 1 -6  18 18 o 209.4544 62.44500 0.9366250      1.129725  0.8492786      1.547638  1.036257       1.652895  204.8849 86.63100 214.0240 89.95878 -9.139038      124.8900 
1 1 1 -6  18 19 o 366.9614 65.06134 5.122149       1.336342  6.781808       1.735516  2.705075       2.094421  465.5499 76.27644 268.3729 105.4221 197.1771       130.1227 
1 1 1 -6  19 1  o 1216.915 50.11982 38.29794       2.730080  38.06090       3.197045  38.93627       5.246381  1218.162 51.83941 1215.667 85.79429 2.494629       100.2396 
1 1 1 -6  19 2  o 1234.233 54.27845 41.53073       3.020770  35.57676       5.446616  44.17575       3.630264  1157.153 93.77862 1311.313 54.68247 -154.1603      108.5569 
1 1 1 -6  19 3  o 292.3872 47.96363 2.262207       0.6931218 2.665305       1.056822  1.957934       0.9181798 314.9647 68.24778 269.8097 67.41127 45.15503       95.92726 
1 1 1 -6  19 4  o 263.9304 49.14694 1.866359       0.6628098 1.944948       0.9934418 1.803312       0.8898069 268.8323 71.68106 259.0285 67.25707 9.803802       98.29388 
1 1 1 -6  19 5  o 136.1518 40.82869 0.1028254E-01  0.4944627 -0.2068131     0.7168781 0.2072920      0.6829097 127.8461 56.46161 144.4576 58.99164 -16.61150      81.65738 
1 1 1 -6  19 6  o 1113.066 50.39604 33.38438       2.582402  35.04213       3.134010  29.87836       4.557716  1166.466 53.06945 1059.667 85.68942 106.7994       100.7921 
1 1 1 -6  19 7  o 440.2039 72.14968 5.796659       1.365830  4.491784       2.969939  6.146655       1.538134  398.5246 128.9913 481.8833 64.68041 -83.35867      144.2994 
1 1 1 -6  19 8  o 623.9570 40.41348 10.20838       1.260541  10.54244       1.758391  9.855207       1.807991  635.2321 55.22588 612.6819 59.01781 22.55017       80.82697 
1 1 1 -6  19 9  o 437.3047 50.81367 5.242955       1.065046  5.477661       1.395836  4.915902       1.647711  452.8315 62.55602 421.7780 80.09282 31.05350       101.6273 
1 1 1 -6  19 10 o 538.8475 44.50216 7.751851       1.188454  7.441957       1.616141  8.116755       1.753731  527.6007 61.66842 550.0942 64.17768 -22.49353      89.00432 
1 1 1 -6  19 11 o 243.5385 59.15000 1.541434       1.015747  2.450331       1.192166  -0.8660233     1.940255  293.8191 78.60580 193.2580 88.40825 100.5611       118.3000 
1 1 1 -6  19 12 o 356.2773 77.75314 3.924104       1.583162  4.886002       2.213063  2.915883       2.265725  397.5552 107.4118 314.9994 112.4496 82.55585       155.5063 
1 1 1 -6  19 13 o 217.7467 59.15860 1.073755       0.9232772 1.304377       1.250872  0.7977363      1.368459  226.8251 83.19517 208.6682 84.12802 18.15689       118.3172 
1 1 1 -6  19 14 o 296.2385 70.13088 1.732461       1.040068  1.015476       1.149367  4.973529       2.443698  207.6131 79.00524 384.8639 115.8945 -177.2508      140.2618 
1 1 1 -6  19 15 o 255.8752 62.94348 1.974957       0.9934245 2.171378       1.224391  1.596530       1.699486  267.6238 82.33284 244.1264 95.23041 23.49739       125.8870 
1 1 1 -6  19 16 o 180.0529 60.13240 -1.321538      1.262766  -2.085808      1.500575  0.5329705      2.337486  137.0242 66.78863 223.0815 100.0145 -86.05725      120.2648 
1 1 1 -6  19 17 o 208.5841 61.14447 0.9418631      0.9979964 0.6733836      1.211642  1.508302       1.759930  186.2149 77.55343 230.9533 94.55183 -44.73839      122.2889 
1 1 1 -6  19 18 o 280.7421 69.86135 2.798959       1.172314  2.658346       1.392381  3.141350       2.172734  278.3182 88.13764 283.1660 108.4167 -4.847748      139.7227 
1 1 1 -6  19 19 o 212.1599 55.39527 1.135625       0.9917772 2.650145       1.281829  -1.123356      1.565485  274.0911 84.22849 150.2286 71.97294 123.8625       110.7905 
1 1 1 -6  20 1  o 261.6688 62.60286 1.912858       0.8798906 2.289118       0.9195126 -2.172966      3.030078  291.6247 64.03387 231.7128 107.5924 59.91196       125.2057 
1 1 1 -6  20 2  o 816.3574 48.93887 17.23227       1.822618  18.11240       3.386488  16.87337       2.162536  825.0593 82.16684 807.6556 53.18515 17.40375       97.87773 
1 1 1 -6  20 3  o 769.1548 66.35339 17.56530       1.962419  13.26055       4.072131  18.86746       2.239646  683.9314 122.0836 854.3782 52.02586 -170.4468      132.7068 
1 1 1 -6  20 4  o 279.6008 48.40286 2.116526       0.6903997 1.561785       0.9649011 2.698455       0.9882633 242.3992 72.78698 316.8023 63.82321 -74.40305      96.80572 
1 1 1 -6  20 5  o 204.1338 49.65174 0.9710125      0.6319799 1.342112       0.9189352 0.6379738      0.8705364 226.7837 71.57896 181.4838 68.83048 45.29994       99.30349 
1 1 1 -6  20 6  o 133.7181 50.12113 -1.660005      0.4864351 -1.653564      0.4968148 -1.809335      2.392187  63.65050 32.14545 203.7857 94.94831 -140.1352      100.2423 
1 1 1 -6  20 7  o 286.2609 72.91985 1.371975       0.9000731 3.642699       2.845002  1.119420       0.9488077 360.1137 126.2551 212.4081 72.99905 147.7056       145.8397 
1 1 1 -6  20 8  o 427.4482 70.13139 4.717657       1.146044  6.169695       2.965732  4.462766       1.242567  447.6959 125.6919 407.2005 62.25103 40.49533       140.2628 
1 1 1 -6  20 9  o 189.7223 52.49078 0.5999599      0.7374275 0.2694426      0.9875678 1.016504       1.108665  168.5804 70.09631 210.8641 78.15137 -42.28366      104.9816 
1 1 1 -6  20 10 o 799.5571 37.61051 16.91270       1.513654  16.67476       2.126665  17.15700       2.154874  793.8133 53.22538 805.3010 53.15319 -11.48767      75.22102 
1 1 1 -6  20 11 o 237.3092 80.85824 1.528213       1.163697  1.528213       1.163697  0.000000       0.000000  237.3092 80.85824 ?        ?        ?              ?        
1 1 1 -6  20 12 o 263.0562 62.43436 1.935804       0.9473525 1.786822       1.173063  2.215178       1.606375  250.3575 81.07111 275.7550 94.97195 -25.39758      124.8687 
1 1 1 -6  20 13 o 182.5201 53.29889 0.4560809E-01  0.8721520 1.326819       1.291716  -1.027826      1.182346  226.3965 84.26778 138.6436 65.28423 87.75294       106.5978 
1 1 1 -6  20 14 o 217.9998 55.05679 1.066435       0.9248303 2.285493       1.194874  -0.7551038     1.460594  274.2934 80.66931 161.7062 74.94973 112.5872       110.1136 
1 1 1 -6  20 15 o 177.5932 54.30019 0.1602758      0.8701183 -0.2759331     1.090833  0.9233273      1.442739  148.7477 67.35773 206.4388 85.18790 -57.69112      108.6004 
1 1 1 -6  20 16 o 176.8425 54.74490 -0.1986164E-01 0.8681364 -0.5722489     1.036640  1.277214       1.588506  134.9782 62.76033 218.7068 89.71709 -83.72853      109.4898 
1 1 1 -6  20 17 o 197.7848 57.54968 0.9529277      0.9276364 0.9819329      1.278940  0.9207296      1.347495  198.0211 80.78203 197.5485 81.98858 0.4726410      115.0994 
1 1 1 -6  20 18 o 160.4961 51.72792 -0.3360007     0.9883748 0.6124310      1.288243  -1.693154      1.541023  180.8925 77.83488 140.0996 68.15309 40.79289       103.4558 
1 1 1 -6  21 1  o 727.9326 67.30831 15.61853       1.840977  16.38314       2.072383  12.75690       4.009188  794.1644 51.82789 661.7008 124.2397 132.4636       134.6166 
1 1 1 -6  21 2  o 288.3845 67.15889 2.056517       0.9329001 2.259554       2.313452  2.017089       1.019463  305.2159 112.9380 271.5530 72.70673 33.66287       134.3178 
1 1 1 -6  21 3  o 664.7321 40.11683 11.57440       1.336736  11.19466       1.876325  11.96579       1.904857  653.3673 57.30283 676.0967 56.15891 -22.72943      80.23365 
1 1 1 -6  21 4  o 578.6727 39.42432 8.791818       1.139705  8.665799       1.575180  8.930271       1.651069  574.6380 54.80865 582.7075 56.68438 -8.069458      78.84864 
1 1 1 -6  21 5  o 208.3970 49.64366 1.063353       0.6372483 1.470004       0.9068370 0.6666495      0.8956772 233.4921 70.66467 183.3019 69.74580 50.19023       99.28732 
1 1 1 -6  21 6  o 501.2553 63.33994 5.974076       1.305129  5.138649       1.454914  9.416244       2.953243  434.6757 68.37103 567.8349 106.6452 -133.1592      126.6799 
1 1 1 -6  21 7  o 458.5801 42.73358 5.657604       0.9646217 5.160882       1.355821  6.166770       1.372698  436.6876 63.16129 480.4726 57.57854 -43.78503      85.46716 
1 1 1 -6  21 8  o 535.1177 41.64190 7.657816       1.107184  8.183466       1.629898  7.207432       1.508704  552.0938 59.23858 518.1415 58.54043 33.95227       83.28380 
1 1 1 -6  21 9  o 483.0995 64.93419 7.695849       1.384699  9.059422       1.675284  4.755514       2.460070  580.4038 57.78115 385.7953 116.3062 194.6086       129.8684 
1 1 1 -6  21 10 o 591.2093 41.01932 9.477873       1.207678  9.079458       1.751835  9.838695       1.667140  577.3764 60.84702 605.0422 55.02707 -27.66577      82.03864 
1 1 1 -6  21 11 o 556.2592 51.39191 8.671802       1.392015  8.253331       1.806282  9.283804       2.184388  543.9955 67.00148 568.5229 77.94431 -24.52747      102.7838 
1 1 1 -6  21 12 o 215.3734 55.92294 1.038027       0.8507510 1.950220       1.242625  0.2332079      1.167201  256.7596 83.46277 173.9873 74.45448 82.77231       111.8459 
1 1 1 -6  21 13 o 440.5573 61.49324 6.365268       1.245093  4.814282       2.120742  7.181079       1.538078  375.3458 106.6083 505.7689 61.32157 -130.4231      122.9865 
1 1 1 -6  21 14 o 302.1656 62.89603 3.025151       1.088586  4.081580       1.519410  1.910963       1.560394  357.0101 85.24143 247.3212 92.50697 109.6890       125.7921 
1 1 1 -6  21 15 o 320.6432 60.13373 3.384248       0.9843023 3.085652       1.297852  3.788533       1.510177  306.4750 82.02637 334.8114 87.95418 -28.33640      120.2675 
1 1 1 -6  21 16 o 239.7113 67.01919 1.882738       1.183297  2.481614       1.880404  1.490112       1.522552  258.5032 100.3558 220.9194 88.85387 37.58383       134.0384 
1 1 1 -6  21 17 o 201.2711 58.03797 1.127079       0.9422439 1.472348       1.330851  0.7800568      1.334224  214.6673 84.12425 187.8749 79.97958 26.79231       116.0759 
1 1 1 -6  22 1  o 474.3262 81.37134 5.888740       2.092676  2.359857       2.625856  12.03147       3.464438  309.1303 118.9855 639.5221 111.0298 -330.3918      162.7427 
1 1 1 -6  22 2  o 322.3074 62.00534 1.723657       0.7793498 5.486743       2.234024  1.202233       0.8315932 431.4387 103.5872 213.1761 68.17876 218.2626       124.0107 
1 1 1 -6  22 3  o 868.2755 43.08725 20.43099       1.817289  18.20704       2.862944  21.93177       2.351847  821.5748 69.48204 914.9763 50.97341 -93.40143      86.17449 
1 1 1 -6  22 4  o 405.8764 46.10178 4.459472       0.9120519 4.036523       1.232644  4.971163       1.355807  384.1083 65.75128 427.6446 64.63950 -43.53629      92.20355 
1 1 1 -6  22 5  o 345.0400 55.74071 3.396036       0.9439524 3.464452       1.240133  3.301797       1.455477  351.9426 72.02681 338.1374 85.08963 13.80518       111.4814 
1 1 1 -6  22 6  f 778.1519 39.51940 16.13205       1.546151  15.86037       2.195204  16.39949       2.178071  771.1113 56.62686 785.1925 55.14101 -14.08124      79.03880 
1 1 1 -6  22 7  o 257.9052 55.20327 1.875451       0.7822949 2.137625       1.157607  1.655077       1.061318  272.6382 79.17924 243.1722 76.94318 29.46603       110.4065 
1 1 1 -6  22 8  o 216.0610 55.56733 1.186104       0.7813323 0.9716208      1.268210  1.317320       0.9919474 211.4494 82.32508 220.6726 74.65585 -9.223206      111.1347 
1 1 1 -6  22 9  o 722.6130 40.26351 14.14103       1.449236  14.18542       2.188310  14.10634       1.934194  720.5596 60.54804 724.6664 53.08987 -4.106812      80.52702 
1 1 1 -6  22 10 o 428.5059 50.78278 5.108335       1.043261  6.959013       1.619617  3.795907       1.363906  497.9542 65.86117 359.0576 77.31669 138.8967       101.5656 
1 1 1 -6  22 11 o 180.8349 57.80989 -0.1511982     1.066274  -1.582488      2.169030  0.3049132      1.224440  182.8954 86.80392 178.7744 76.37418 4.120941       115.6198 
1 1 1 -6  22 12 o 254.1566 63.03899 1.210958       1.052615  3.934836       1.882137  -0.2877257E-01 1.269758  339.9636 101.5610 168.3496 74.70628 171.6140       126.0780 
1 1 1 -6  22 13 f 395.3784 68.06069 5.187454       1.279395  5.764768       2.293436  4.926626       1.541549  393.4130 110.5591 397.3437 79.40852 -3.930725      136.1214 
1 1 1 -6  22 14 o 188.9421 55.51197 0.5794496      0.9306833 1.525747       1.319043  -0.3586907     1.313345  221.6471 84.56656 156.2372 71.93618 65.40993       111.0239 
1 1 1 -6  22 15 f 217.4382 65.96844 -0.4064623     1.143611  -1.684475      1.286731  4.398874       2.495068  126.4110 61.66629 308.4654 116.6388 -182.0544      131.9369 
1 1 1 -6  22 16 o 147.1996 48.30121 -0.6383445     0.9270013 -2.831469      1.678318  0.3244644      1.112020  131.4560 65.29970 162.9431 71.18972 -31.48705      96.60242 
1 1 1 -6  22 17 f 183.8664 62.49813 -0.5146061     1.735378  0.4425895      2.227884  -1.991415      2.767288  193.3462 90.58826 174.3867 86.12683 18.95950       124.9963 
1 1 1 -6  23 1  o 210.4350 46.81773 1.202191       0.5903889 1.649229       0.7782558 0.5961814      0.9061291 243.2056 62.77906 177.6643 69.47221 65.54132       93.63545 
1 1 1 -6  23 2  o 654.8994 38.50149 11.41939       1.259775  10.15066       1.742133  12.80994       1.823858  615.3199 56.55687 694.4789 52.25686 -79.15900      77.00298 
1 1 1 -6  23 3  o 499.3880 71.05025 6.207228       1.295793  5.619122       1.397427  9.814785       3.461053  453.1705 62.57911 545.6055 127.5790 -92.43500      142.1005 
1 1 1 -6  23 4  o 229.4694 67.74783 0.5559524      0.9301454 2.148533       2.565633  0.3149552      0.9980443 289.6602 115.7505 169.2786 70.43362 120.3816       135.4957 
1 1 1 -6  23 5  o 293.4937 66.33874 2.805637       1.162352  0.3282627      2.666054  3.387054       1.291567  244.6854 108.4316 342.3019 76.45842 -97.61647      132.6775 
1 1 1 -6  23 6  o 429.5411 72.41128 6.727278       1.461468  3.718193       3.152696  7.550880       1.649391  336.1831 130.1023 522.8991 63.61567 -186.7160      144.8226 
1 1 1 -6  23 7  o 418.8473 48.35917 4.918625       0.9851744 4.292443       1.328431  5.683901       1.468581  387.7891 70.25096 449.9055 66.47736 -62.11639      96.71834 
1 1 1 -6  23 8  o 210.3933 55.07432 0.8767474      0.9146334 -0.7813384     1.434296  2.013092       1.187381  160.5787 74.37232 260.2079 81.24950 -99.62918      110.1486 
1 1 1 -6  23 9  o 398.6345 53.36636 4.568284       1.028761  6.272286       1.574463  3.298786       1.358981  468.2587 68.43459 329.0103 81.90593 139.2484       106.7327 
1 1 1 -6  23 10 o 272.5714 92.31606 2.353417       1.516772  2.353417       1.516772  0.000000       0.000000  272.5714 92.31606 ?        ?        ?              ?        
1 1 1 -6  23 11 o 347.5690 76.74303 4.379610       1.462204  4.411654       2.590251  4.364623       1.771443  334.5259 120.1470 360.6120 95.51272 -26.08615      153.4861 
1 1 1 -6  23 12 o 299.9031 67.80402 3.168967       1.125932  3.198693       2.053923  3.156196       1.346235  290.2927 106.5864 309.5136 83.83836 -19.22098      135.6080 
1 1 1 -6  23 13 o 247.6684 60.43933 1.969320       1.116510  3.533503       1.480909  -0.9080318E-01 1.699539  316.8648 88.76900 178.4720 82.04703 138.3929       120.8787 
1 1 1 -6  23 14 f 225.4745 66.19367 1.562739       1.129400  2.342807       2.194877  1.281816       1.317157  245.1798 103.3907 205.7691 82.68475 39.41072       132.3873 
1 1 1 -6  23 15 o 286.8647 79.89684 4.020551       1.690117  3.892279       2.119329  4.244644       2.801225  291.8484 108.0752 281.8811 117.7021 9.967285       159.7937 
1 1 1 -6  23 16 o 189.1719 60.38434 0.6376924      1.265005  -0.3296601     1.823382  1.535348       1.756468  168.6106 79.89659 209.7331 90.56274 -41.12247      120.7687 
1 1 1 -6  24 1  o 322.8050 66.95198 3.471741       1.113045  2.070434       2.567612  3.796006       1.235130  280.8521 114.5036 364.7578 69.42045 -83.90573      133.9040 
1 1 1 -6  24 2  f 240.9312 49.62444 1.693230       0.6735271 2.205336       0.9000937 1.041639       1.015301  278.0468 65.09119 203.8157 74.92316 74.23116       99.24889 
1 1 1 -6  24 3  o 160.2271 52.77456 -0.1357579     0.7262759 -3.733271      2.602059  0.1681878      0.7563346 176.1477 86.30380 144.3065 60.76405 31.84122       105.5491 
1 1 1 -6  24 4  o 367.1700 50.69786 3.899762       0.9082171 3.736429       1.294555  4.058076       1.274506  358.0553 73.86623 376.2848 69.46129 -18.22946      101.3957 
1 1 1 -6  24 5  o 174.4587 58.43270 -0.7929771E-01 0.7386198 0.4792660E-01  0.7620385 -2.054295      3.002446  138.7391 59.77977 210.1784 100.4186 -71.43927      116.8654 
1 1 1 -6  24 6  o 230.0329 73.80862 0.9859531E-01  1.848453  0.2269847      2.805000  0.4355036E-04  2.457539  237.5366 107.7454 222.5292 100.9048 15.00746       147.6172 
1 1 1 -6  24 7  o 281.5132 73.15437 2.424614       1.188465  2.347238       2.935805  2.439780       1.299725  282.6802 119.4096 280.3463 84.54353 2.333923       146.3087 
1 1 1 -6  24 8  o 276.2263 73.65158 2.309943       1.155229  2.198432       3.280800  2.325726       1.234277  279.1588 122.1131 273.2938 82.38087 5.864960       147.3032 
1 1 1 -6  24 9  o 419.3942 57.03456 5.235813       1.160716  8.234507       1.811028  3.145306       1.512115  530.1280 69.12244 308.6603 90.74058 221.4677       114.0691 
1 1 1 -6  24 10 o 728.9720 64.65475 15.47542       2.361372  15.47542       2.361372  0.000000       0.000000  728.9720 64.65475 ?        ?        ?              ?        
1 1 1 -6  24 11 o 242.3548 66.09591 2.048663       1.150826  0.7480677      2.577174  2.372600       1.286183  220.9603 101.3780 263.7493 84.83617 -42.78902      132.1918 
1 1 1 -6  24 12 o 231.9824 56.78461 1.589441       1.139167  -2.350194      2.034199  3.389442       1.374997  153.2999 75.35139 310.6650 84.97137 -157.3651      113.5692 
1 1 1 -6  24 13 o 195.9189 59.42182 0.6404411      1.168936  2.096184       1.596441  -1.042120      1.716311  235.5385 92.18264 156.2992 75.00782 79.23932       118.8436 
1 1 1 -6  24 14 o 205.1385 61.09546 1.019964       1.205823  2.513587       1.646962  -0.7057306     1.770293  247.9299 94.51913 162.3472 77.43871 85.58267       122.1909 
1 1 1 -6  24 15 o 278.9776 74.46302 4.157660       1.528521  4.343083       1.751192  3.564451       3.132246  315.2258 98.71141 242.7295 111.5124 72.49629       148.9260 
1 1 1 -6  25 1  o 561.2101 69.89100 10.90831       1.615753  8.214166       3.091902  11.92044       1.895105  466.6172 127.3332 655.8030 57.66507 -189.1858      139.7820 
1 1 1 -6  25 2  o 520.5400 43.84987 7.689939       1.119920  8.252449       1.528443  7.037844       1.645657  546.1349 56.07562 494.9451 67.42973 51.18985       87.69974 
1 1 1 -6  25 3  o 331.3725 53.52187 3.216337       0.8779383 2.488993       1.150712  4.229450       1.358082  285.4546 77.59084 377.2904 73.74294 -91.83585      107.0437 
1 1 1 -6  25 4  o 274.2938 53.26258 2.317558       0.7968779 3.032764       1.098747  1.523883       1.157454  320.1109 69.76786 228.4766 80.49879 91.63434       106.5252 
1 1 1 -6  25 5  o 212.9381 66.29852 0.3853607      0.8813643 0.1693369      0.9316222 2.227041       2.720170  154.3365 66.29398 271.5397 114.8350 -117.2032      132.5970 
1 1 1 -6  25 6  o 363.0193 83.42780 3.582954       1.337675  8.450283       3.541999  2.773251       1.444661  435.1063 140.8712 290.9323 89.42085 144.1740       166.8556 
1 1 1 -6  25 7  o 261.5266 60.58329 2.198058       0.9669887 1.433792       1.391387  2.912062       1.344856  223.8306 86.48408 299.2227 84.86369 -75.39207      121.1666 
1 1 1 -6  25 8  o 206.8428 65.63965 0.3160728      1.237393  -0.1324322     1.429817  1.654101       2.469615  169.6761 76.94947 244.0095 106.3627 -74.33342      131.2793 
1 1 1 -6  25 9  o 423.4150 102.2068 6.597179       2.165982  6.597179       2.165982  0.000000       0.000000  423.4150 102.2068 ?        ?        ?              ?        
1 1 1 -6  25 10 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -6  25 11 o 357.6439 103.2079 5.297448       1.972435  0.000000       0.000000  5.297448       1.972435  ?        ?        357.6439 103.2079 ?              ?        
1 1 1 -6  25 12 o 217.1421 65.44960 1.528704       1.288467  2.755792       1.937853  0.5563793      1.724999  248.9866 100.2071 185.2976 84.22076 63.68896       130.8992 
1 1 1 -6  25 13 o 156.5982 51.73333 -0.2686666     1.029727  -0.8889290     1.556567  0.2140168      1.373129  148.5363 71.32210 164.6600 74.95672 -16.12369      103.4667 
1 1 1 -6  25 14 o 189.5211 59.39510 1.079804       1.141519  0.6986864      1.660589  1.421244       1.571774  180.3227 82.21949 198.7194 85.73836 -18.39670      118.7902 
1 1 1 -6  26 1  o 190.2182 73.66203 0.9120169      1.011155  0.000000       0.000000  0.9120169      1.011155  ?        ?        190.2182 73.66203 ?              ?        
1 1 1 -6  26 2  o 275.0468 52.66206 2.278792       0.7531379 1.758751       0.9845875 3.012206       1.169257  238.6934 73.89741 311.4002 75.04894 -72.70674      105.3241 
1 1 1 -6  26 3  o 134.4369 42.57349 -0.1188845     0.5809641 -0.4454994E-02 0.7221227 -0.3288541     0.9781830 130.6112 57.20767 138.2626 63.06578 -7.651398      85.14699 
1 1 1 -6  26 4  o 291.4939 57.42516 2.884861       0.9529864 3.819688       1.258264  1.627175       1.459460  352.3871 72.93251 230.6007 88.72116 121.7863       114.8503 
1 1 1 -6  26 5  o 426.1359 75.30231 7.124783       1.389855  7.226234       1.511210  6.568135       3.539870  498.3129 61.18724 353.9588 137.6149 144.3541       150.6046 
1 1 1 -6  26 6  o 354.4453 60.99049 4.237156       1.084046  4.299187       1.525318  4.173846       1.540948  358.2401 85.32204 350.6505 87.17516 7.589569       121.9810 
1 1 1 -6  26 7  o 163.5451 53.14176 -0.2910185     0.9952350 0.3055664      1.528842  -0.7297502     1.311071  181.2186 81.09101 145.8716 68.70542 35.34695       106.2835 
1 1 1 -6  26 8  o 300.4094 67.40823 3.560239       1.174577  3.982607       1.579680  3.037983       1.756570  327.3251 91.67517 273.4937 98.84908 53.83148       134.8165 
1 1 1 -6  26 9  o 148.3242 48.70258 -1.178927      0.9997672 0.8240828      1.334737  -3.739164      1.509018  184.5387 79.31139 112.1096 56.54618 72.42912       97.40517 
1 1 1 -6  26 10 o 200.3831 61.14513 1.243184       1.159174  1.749765       1.547133  0.5948740      1.750228  215.8482 88.54235 184.9179 84.35140 30.93036       122.2903 
1 1 1 -6  26 11 o 229.8987 69.39903 2.362836       1.547140  3.481203       2.006951  0.7247514      2.428917  263.8141 103.3274 195.9833 92.67339 67.83080       138.7981 
1 1 1 -6  26 12 f 175.8680 58.89892 0.9278525E-01  1.265499  -0.3341011     1.511743  1.092452       2.313394  154.2567 72.99413 197.4793 92.45641 -43.22264      117.7978 
1 1 1 -6  26 13 o 177.1812 59.30700 0.5186262      1.281420  0.6546620      2.614463  0.4756145      1.470107  187.2905 90.54469 167.0720 76.62206 20.21851       118.6140 
1 1 1 -6  27 1  o 208.8621 61.52198 1.229324       1.099760  -2.038050      2.966588  1.749903       1.184134  188.5063 92.31462 229.2179 81.35004 -40.71169      123.0440 
1 1 1 -6  27 2  o 190.7367 50.38414 0.9663477      0.7435457 1.695063       0.9509140 -0.1802195     1.192785  228.9510 72.87264 152.5225 69.59760 76.42854       100.7683 
1 1 1 -6  27 3  o 223.0807 55.36097 1.538442       0.7651578 1.114043       0.9749919 2.218920       1.234584  193.8107 72.99953 252.3508 83.24912 -58.54016      110.7219 
1 1 1 -6  27 4  o 259.4672 60.09731 2.438658       0.9472134 2.994350       1.283816  1.774752       1.403263  292.4783 82.90308 226.4560 87.02773 66.02229       120.1946 
1 1 1 -6  27 5  o 147.5086 48.00104 -0.2146829     0.8047794 -0.2643719     1.028212  -0.1361037     1.293023  138.7577 63.79987 156.2596 71.73547 -17.50185      96.00208 
1 1 1 -6  27 6  o 194.3164 56.92562 1.087646       0.8781288 0.9391404      1.079605  1.377971       1.509505  182.7348 74.34600 205.8981 86.22516 -23.16325      113.8512 
1 1 1 -6  27 7  o 315.5296 95.23542 4.113499       1.648735  4.113499       1.648735  0.000000       0.000000  315.5296 95.23542 ?        ?        ?              ?        
1 1 1 -6  27 8  o 314.9491 71.67791 4.793003       1.471761  6.625731       2.036074  2.787543       2.129862  392.4250 101.6635 237.4731 101.0714 154.9519       143.3558 
1 1 1 -6  27 9  o 139.6853 48.09634 -1.145196      1.026367  -1.415950      1.284391  -0.6668248     1.707233  124.6564 60.98167 154.7143 74.39265 -30.05788      96.19267 
1 1 1 -6  27 10 o 170.3371 75.74786 0.6583856      1.312089  0.000000       0.000000  0.6583856      1.312089  ?        ?        170.3371 75.74786 ?              ?        
1 1 1 -6  27 11 o 277.4148 72.14205 3.853454       1.305424  5.564964       2.146559  2.848958       1.644475  314.2173 109.6956 240.6123 93.72713 73.60498       144.2841 
1 1 1 -6  27 12 o 281.1096 69.12796 4.159419       1.210226  4.063808       1.792465  4.239519       1.640633  270.5352 99.53533 291.6840 95.95529 -21.14874      138.2559 
1 1 1 -6  28 1  o 309.2940 59.44053 3.523332       0.9480976 3.043309       1.243288  4.190363       1.465596  285.9939 81.76504 332.5941 86.29706 -46.60016      118.8811 
1 1 1 -6  28 2  o 192.8004 78.75265 1.218591       1.217439  0.000000       0.000000  1.218591       1.217439  ?        ?        192.8004 78.75265 ?              ?        
1 1 1 -6  28 3  o 357.4037 78.25391 6.784225       1.670478  6.037013       2.915833  7.149289       2.038098  298.1757 121.8456 416.6319 98.22602 -118.4562      156.5078 
1 1 1 -6  28 4  f 142.2814 62.64869 0.2306408      0.8761283 0.2306408      0.8761283 0.000000       0.000000  142.2814 62.64869 ?        ?        ?              ?        
1 1 1 -6  28 5  f 163.6458 56.51773 -0.4611283     1.292695  -3.011118      3.521804  -0.6407534E-01 1.389697  172.7157 87.02469 154.5760 72.13680 18.13976       113.0355 
1 1 1 -6  28 6  o 230.1953 53.98018 0.4178493      0.8751984 -1.337319      1.022907  5.213033       1.690750  109.9043 53.90170 350.4862 93.54167 -240.5818      107.9604 
1 1 1 -6  28 7  o 268.8853 70.15833 3.578075       1.260169  2.661656       1.637233  4.910150       1.973911  234.1056 92.81021 303.6649 105.2379 -69.55923      140.3167 
1 1 1 -6  28 8  o 226.0795 67.72314 2.738641       1.355818  3.004040       1.826851  2.413210       2.022940  237.0066 96.60103 215.1523 94.94173 21.85431       135.4463 
1 1 1 -6  28 9  o 155.1895 53.58694 -0.4754341     1.158300  -0.7025428     1.326099  0.2554770      2.378983  135.0969 65.10657 175.2821 85.13152 -40.18520      107.1739 
1 1 1 -6  28 10 o 132.0956 64.49446 -0.9911761     1.415990  0.000000       0.000000  -0.9911761     1.415990  ?        ?        132.0956 64.49446 ?              ?        
1 1 1 -6  28 11 o 174.2592 58.21915 0.9123601      1.288181  2.564204       2.109151  -0.7042276E-01 1.626867  199.0316 91.46257 149.4868 72.05885 49.54483       116.4383 
1 1 1 -6  29 1  o 155.3532 47.86030 0.5757565      0.6805104 0.5783513      0.8297721 0.5704259      1.189297  150.6398 63.54970 160.0666 71.58120 -9.426727      95.72060 
1 1 1 -6  29 2  o 121.3183 40.46328 -0.3150842     0.5870644 -0.3768654     0.6998507 -0.1683870     1.078421  107.2459 50.41506 135.3907 63.30426 -28.14485      80.92655 
1 1 1 -6  29 3  o 186.3860 54.46772 1.343120       0.8431584 1.507830       1.026189  1.000883       1.479210  196.2092 74.65510 176.5629 79.33189 19.64626       108.9354 
1 1 1 -6  29 4  o 195.0671 92.75803 1.825036       2.499763  1.825036       2.499763  0.000000       0.000000  195.0671 92.75803 ?        ?        ?              ?        
1 1 1 -6  29 5  o 214.3432 71.75823 1.393242       1.379449  8.841987       3.634432  0.1395900      1.491020  273.4526 123.4680 155.2339 73.16161 118.2187       143.5165 
1 1 1 -6  29 6  f 169.0833 54.71172 0.7933344      1.029982  0.7900776      1.285617  0.7991710      1.721073  166.0935 74.33938 172.0731 80.29412 -5.979599      109.4234 
1 1 1 -6  29 7  o 206.3643 63.04092 1.822056       1.112826  0.9090252      1.329791  3.955561       2.032766  168.6107 75.52593 244.1179 100.9577 -75.50725      126.0818 
1 1 1 -6  29 8  o 112.0968 39.66078 -2.184977      0.9553706 -1.523572      1.264677  -3.064121      1.458062  116.0079 57.46185 108.1857 54.68131 7.822189       79.32156 
1 1 1 -6  29 9  o 189.2686 63.03845 2.268956       1.495274  1.991710       1.731262  3.083062       2.966681  188.0090 85.02212 190.5282 93.09471 -2.519287      126.0769 
1 1 1 -6  30 1  o 174.1140 51.82262 1.202228       0.8089582 1.573568       1.051298  0.6631820      1.266640  190.8860 74.77859 157.3420 71.76697 33.54393       103.6452 
1 1 1 -6  30 2  o 123.2177 41.41371 -0.2900101     0.6575133 -0.3691559     0.8023500 -0.1281848     1.147290  111.9727 53.04136 134.4628 63.61600 -22.49003      82.82742 
1 1 1 -6  30 3  o 173.2630 52.70461 1.207914       0.8664360 1.568823       1.112169  0.6506655      1.381962  188.3339 75.87292 158.1920 73.17379 30.14191       105.4092 
1 1 1 -6  30 4  o 177.6742 59.10912 1.158314       0.9717376 0.9648487      1.007809  3.716725       3.664901  163.1411 69.48209 192.2074 95.64408 -29.06627      118.2182 
1 1 1 -6  30 5  o 204.4455 84.22711 1.736931       1.321110  -2.288063      3.829450  2.280686       1.407522  ?        ?        204.4455 84.22711 ?              ?        
1 1 1 -6  30 6  o 185.0420 56.64182 1.753946       1.093111  2.717546       1.405138  0.2768900      1.739679  218.0579 86.12843 152.0261 73.58719 66.03175       113.2836 
1 1 1 -6  30 7  o 160.4839 56.17813 0.7616190      1.549739  2.028886       2.975121  0.2897199      1.815495  170.9248 85.23341 150.0430 73.20651 20.88181       112.3563 
1 1 1 -6  31 1  o 163.0952 49.04133 0.8485038      0.7253116 -0.3811574E-01 0.9173307 2.327268       1.184695  121.5130 57.30437 204.6775 79.60162 -83.16452      98.08266 
1 1 1 -6  31 2  o 157.6171 55.15616 0.6867580      0.9815016 0.3434413      1.016138  5.466796       3.791584  134.4965 62.40052 180.7377 90.96693 -46.24129      110.3123 
1 1 1 -6  31 3  o 146.2376 47.92952 0.6831334      0.8202261 0.4826899      1.038193  1.016041       1.337964  138.1167 63.72418 154.3585 71.61134 -16.24179      95.85904 
1 1 1 -6  31 4  o 127.6624 43.76854 -0.1204930     0.8595675 0.5386988E-01  1.045195  -0.4848533     1.510900  126.3125 60.03904 129.0123 63.70284 -2.699783      87.53707 
1 1 1 -6  31 5  o 125.9289 42.18002 -0.1669963     0.7981864 0.8966211      1.003092  -2.002944      1.317887  147.1174 65.76844 104.7405 52.83112 42.37690       84.36003 
1 1 1 -5  0  1  o 7205.302 112.8702 1317.747       58.16323  1317.747       58.16323  1317.747       58.16323  7205.302 159.6225 7205.302 159.6225 0.000000       0.000000 
1 1 1 -5  0  2  o 2207.735 62.08678 124.0275       9.778703  124.0275       9.778703  124.0275       9.778703  2207.735 87.80396 2207.735 87.80396 0.000000       0.000000 
1 1 1 -5  0  3  o 2733.882 50.03716 189.6924       9.779418  189.6924       9.779418  189.6924       9.779418  2733.882 70.76323 2733.882 70.76323 0.000000       0.000000 
1 1 1 -5  0  4  o 904.4072 31.69550 20.87825       2.040893  20.87825       2.040893  20.87825       2.040893  904.4072 44.82421 904.4072 44.82421 0.000000       0.000000 
1 1 1 -5  0  5  o ?        ?        75.35510       4.707880  75.35510       4.707880  75.35510       4.707880  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 -5  0  6  o ?        ?        401.4781       18.95091  401.4781       18.95091  401.4781       18.95091  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 -5  0  7  o 3471.057 47.55746 305.8556       11.80894  305.8556       11.80894  305.8556       11.80894  3471.057 67.25640 3471.057 67.25640 0.000000       0.000000 
1 1 1 -5  0  8  o 4120.195 69.78468 431.7204       20.55953  431.7204       20.55953  431.7204       20.55953  4120.195 98.69044 4120.195 98.69044 0.000000       0.000000 
1 1 1 -5  0  9  o 3154.480 79.73910 254.3925       17.95713  254.3925       17.95713  254.3925       17.95713  3154.480 112.7681 3154.480 112.7681 -0.000000      0.000000 
1 1 1 -5  0  10 o 1528.649 31.38853 59.39974       3.428847  59.39974       3.428847  59.39974       3.428847  1528.649 44.39009 1528.649 44.39009 0.000000       0.000000 
1 1 1 -5  0  11 o 863.7283 36.85348 19.13087       2.260047  19.13087       2.260047  19.13087       2.260047  863.7283 52.11869 863.7283 52.11869 -0.000000      0.000000 
1 1 1 -5  0  12 o 2680.879 50.38441 183.0033       9.655569  183.0033       9.655569  183.0033       9.655569  2680.879 71.25431 2680.879 71.25431 -0.000000      0.000000 
1 1 1 -5  0  13 o 712.2764 40.25381 13.12625       2.022671  13.12625       2.022671  13.12625       2.022671  712.2764 56.92748 712.2764 56.92748 -0.000000      0.000000 
1 1 1 -5  0  14 o 189.7920 75.73808 1.234579       1.574193  1.234579       1.574193  1.234579       1.574193  189.7920 107.1098 189.7920 107.1098 0.000000       0.000000 
1 1 1 -5  0  15 o 568.2726 44.71129 8.531545       1.761549  8.531545       1.761549  8.531545       1.761549  568.2726 63.23131 568.2726 63.23131 -0.000000      0.000000 
1 1 1 -5  0  16 f 868.6005 38.90140 19.47210       2.397018  19.47210       2.397018  19.47210       2.397018  868.6005 55.01488 868.6005 55.01488 -0.000000      0.000000 
1 1 1 -5  0  17 o 634.0760 41.98447 10.57573       1.867616  10.57573       1.867616  10.57573       1.867616  634.0760 59.37500 634.0760 59.37500 -0.000000      0.000000 
1 1 1 -5  0  18 o 714.8164 40.72176 13.41634       2.052986  13.41634       2.052986  13.41634       2.052986  714.8164 57.58926 714.8164 57.58926 -0.000000      0.000000 
1 1 1 -5  0  19 f 1514.824 40.06345 59.70918       4.331398  59.70918       4.331398  59.70918       4.331398  1514.824 56.65827 1514.824 56.65827 -0.000000      0.000000 
1 1 1 -5  0  20 o 542.8179 47.38367 8.090537       1.766183  8.090537       1.766183  8.090537       1.766183  542.8179 67.01064 542.8179 67.01064 -0.000000      0.000000 
1 1 1 -5  0  21 o 277.1544 82.53510 3.111045       1.650580  3.111045       1.650580  3.111045       1.650580  277.1544 116.7223 277.1544 116.7223 0.000000       0.000000 
1 1 1 -5  0  22 f 144.7035 65.98272 0.4361413      1.584949  0.4361413      1.584949  0.4361413      1.584949  144.7035 93.31366 144.7035 93.31366 0.000000       0.000000 
1 1 1 -5  0  23 o 143.1206 66.46115 0.3494386      1.714685  0.3494386      1.714685  0.3494386      1.714685  143.1206 93.99026 143.1206 93.99026 0.000000       0.000000 
1 1 1 -5  1  1  o 2947.108 74.18090 219.9831       11.06807  0.000000       0.000000  219.9831       11.06807  ?        ?        2947.108 74.18090 ?              ?        
1 1 1 -5  1  2  o 1946.605 57.54370 96.00944       5.670871  96.36637       8.003260  95.64954       8.036489  1950.245 81.05766 1942.964 81.69923 7.280884       115.0874 
1 1 1 -5  1  3  o 5087.000 100.0353 655.7129       24.33062  650.2537       29.79654  666.6362       42.14825  5059.561 116.3240 5114.438 162.7788 -54.87793      200.0706 
1 1 1 -5  1  4  o 527.2533 30.38188 7.098808       0.8037993 7.006320       1.141733  7.189697       1.131820  523.7748 43.44854 530.7318 42.47892 -6.956970      60.76375 
1 1 1 -5  1  5  o ?        ?        73.84312       3.291661  71.19605       4.653730  76.49334       4.656493  ?        ?        ?        ?        ?              ?        
1 1 1 -5  1  6  o 3079.355 57.68248 256.6665       8.990216  250.2248       12.71401  263.1083       12.71416  3038.036 82.66201 3120.674 80.47402 -82.63794      115.3650 
1 1 1 -5  1  7  o 2047.179 33.72358 106.3267       3.490969  100.1333       4.930718  112.5517       4.943259  1987.273 49.00822 2107.085 46.33911 -119.8114      67.44715 
1 1 1 -5  1  8  o 1383.388 44.63098 49.35486       2.926199  50.84935       3.598434  46.43728       5.027811  1416.344 50.18351 1350.431 73.81945 65.91272       89.26196 
1 1 1 -5  1  9  o 2355.472 57.67776 143.4235       6.440659  134.9045       11.11606  147.7287       7.902236  2299.521 95.48384 2411.422 64.72815 -111.9001      115.3555 
1 1 1 -5  1  10 o 443.8025 40.41147 5.031293       0.8723630 4.779937       1.124496  5.411226       1.382504  430.5049 52.69368 457.1001 61.28396 -26.59521      80.82294 
1 1 1 -5  1  11 o 3161.149 51.27466 259.3633       7.959811  276.8356       10.30047  233.4626       12.54113  3298.738 61.67736 3023.560 81.92842 275.1777       102.5493 
1 1 1 -5  1  12 f 1860.930 41.11628 88.01745       3.873555  88.84660       5.474448  87.18613       5.481628  1869.747 57.83275 1852.113 58.45996 17.63416       82.23256 
1 1 1 -5  1  13 o 999.1366 45.70861 25.26015       2.138327  24.80175       2.576997  26.27345       3.831452  986.5146 51.77820 1011.759 75.34007 -25.24390      91.41721 
1 1 1 -5  1  14 o 344.7815 63.63605 3.078949       1.091366  3.573056       1.812301  2.797811       1.367033  365.5752 96.50320 323.9877 82.97783 41.58749       127.2721 
1 1 1 -5  1  15 o 213.7761 58.77529 0.6733716      0.9025813 1.125409       1.431146  0.3748342      1.163044  237.7563 88.65910 189.7958 77.18616 47.96046       117.5506 
1 1 1 -5  1  16 o 1032.060 37.10652 27.27198       1.933358  27.71941       2.690993  26.79464       2.779517  1041.773 51.02182 1022.347 53.89201 19.42572       74.21304 
1 1 1 -5  1  17 o 646.3165 41.94148 10.84918       1.356320  10.62739       1.935247  11.06329       1.901453  639.4502 60.49760 653.1828 58.10673 -13.73260      83.88297 
1 1 1 -5  1  18 o 299.1680 64.70438 2.409081       1.073804  2.148649       1.491728  2.689153       1.546955  284.9012 91.33492 313.4349 91.67638 -28.53369      129.4088 
1 1 1 -5  1  19 o 643.6661 53.53061 10.36000       1.582003  13.22036       2.976215  9.233545       1.867711  696.5277 86.24380 590.8045 63.43589 105.7232       107.0612 
1 1 1 -5  1  20 o 509.2632 51.62654 7.055398       1.286317  6.937845       1.903560  7.154184       1.745016  503.3213 77.16402 515.2052 68.60695 -11.88388      103.2531 
1 1 1 -5  1  21 o 523.3253 51.76873 7.489340       1.316393  6.080179       1.784322  9.172359       1.950013  465.8948 78.43513 580.7557 67.58650 -114.8609      103.5375 
1 1 1 -5  1  22 o 438.0128 65.03481 5.682777       1.393652  5.005815       1.883681  6.501489       2.071525  407.7313 93.27612 468.2942 90.65137 -60.56284      130.0696 
1 1 1 -5  1  23 o 214.9026 66.07854 0.3588338      1.344565  0.9835306      1.623728  -1.004084      2.398354  223.5763 91.09349 206.2288 95.74692 17.34752       132.1571 
1 1 1 -5  2  1  o 2661.874 69.77067 179.4757       9.402515  0.000000       0.000000  179.4757       9.402515  ?        ?        2661.874 69.77067 ?              ?        
1 1 1 -5  2  2  o 5498.255 87.89500 767.4205       24.46329  752.9948       34.59563  781.8474       34.59702  5446.429 125.4659 5550.080 123.1277 -103.6509      175.7900 
1 1 1 -5  2  3  f 1546.506 45.35368 61.33625       3.325017  62.73037       4.069994  58.53854       5.765633  1573.592 51.08791 1519.421 74.95233 54.17041       90.70737 
1 1 1 -5  2  4  o 1535.186 36.59581 60.22985       2.843351  62.07670       4.024220  58.38872       4.017999  1558.900 50.98937 1511.472 52.50808 47.42859       73.19163 
1 1 1 -5  2  5  o ?        ?        61.46091       2.888331  60.96567       4.085790  61.95562       4.083645  ?        ?        ?        ?        ?              ?        
1 1 1 -5  2  6  o 378.7664 30.96236 3.624960       0.5767396 4.289066       0.8932633 3.150202       0.7552609 408.2968 43.90337 349.2359 43.67110 59.06085       61.92472 
1 1 1 -5  2  7  o 2291.040 35.90285 133.0875       4.163317  136.8911       5.903075  129.3230       5.872681  2323.655 50.17912 2258.426 51.36259 65.22900       71.80571 
1 1 1 -5  2  8  o 436.6946 49.57911 5.387603       0.9309700 5.988307       1.115546  4.009308       1.689772  483.9061 46.09173 389.4831 87.79466 94.42297       99.15821 
1 1 1 -5  2  9  f 1957.458 49.36662 94.38721       4.635343  106.8426       8.164301  88.46236       5.630911  2048.581 78.71949 1866.335 59.59441 182.2461       98.73323 
1 1 1 -5  2  10 o 2240.195 41.60608 128.3263       4.606486  130.7516       5.936596  124.6564       7.302636  2268.234 51.69708 2212.157 65.20487 56.07690       83.21216 
1 1 1 -5  2  11 o 575.0057 37.62787 8.448788       1.044611  8.385359       1.314091  8.557679       1.721789  572.9680 45.68101 577.0436 59.80527 -4.075623      75.25574 
1 1 1 -5  2  12 o 324.1558 54.66227 2.791784       0.8843073 2.650003       1.284012  2.919712       1.219666  316.2729 80.10362 332.0387 74.39936 -15.76584      109.3245 
1 1 1 -5  2  13 o 872.3638 47.24920 20.31234       1.883437  21.67129       2.288177  17.45723       3.316654  922.2416 49.18498 822.4860 80.68942 99.75562       94.49839 
1 1 1 -5  2  14 o 992.6381 43.20741 24.92175       2.069763  26.32710       3.506994  24.17061       2.563902  1012.366 68.83365 972.9096 52.24413 39.45685       86.41482 
1 1 1 -5  2  15 o 795.5326 37.19880 16.21566       1.487262  15.07644       2.090798  17.38254       2.116040  766.8317 54.20450 824.2334 50.95955 -57.40167      74.39761 
1 1 1 -5  2  16 o 1469.892 38.62278 55.26645       2.874110  55.77015       4.072875  54.76683       4.056385  1476.602 54.48214 1463.182 54.75921 13.41980       77.24555 
1 1 1 -5  2  17 o 197.8777 58.76694 0.2095490      0.9862451 0.1437984      1.299607  0.2988334      1.514432  188.4325 79.51447 207.3229 86.55437 -18.89032      117.5339 
1 1 1 -5  2  18 f 618.4132 61.22165 9.973436       1.649302  9.559979       1.916693  11.15295       3.237345  603.0594 63.74434 633.7671 104.5420 -30.70770      122.4433 
1 1 1 -5  2  19 f 692.0529 62.52488 12.62691       2.167006  0.000000       0.000000  12.62691       2.167006  ?        ?        692.0529 62.52488 ?              ?        
1 1 1 -5  2  20 o 412.8200 59.56351 4.734710       1.201470  3.945016       1.629839  5.674604       1.778094  373.0461 87.76405 452.5939 80.55259 -79.54785      119.1270 
1 1 1 -5  2  21 o 916.4590 42.66502 22.43479       1.967129  22.27694       2.828306  22.58269       2.737782  912.3260 61.59473 920.5920 59.05340 -8.265991      85.33003 
1 1 1 -5  2  22 o 785.9817 43.76199 16.80270       1.726574  16.78270       2.408013  16.82387       2.476934  786.2943 60.96756 785.6690 62.79651 0.6253052      87.52397 
1 1 1 -5  2  23 o 353.0913 75.73199 4.239598       1.513095  4.853360       1.831888  2.921858       2.684194  398.0262 92.64435 308.1563 119.8264 89.86987       151.4640 
1 1 1 -5  3  1  o 2822.404 61.78485 200.0061       8.352294  207.9004       14.49849  196.0849       10.21821  2863.034 100.0260 2781.774 72.55531 81.25952       123.5697 
1 1 1 -5  3  2  o 2886.058 64.54353 212.3708       8.860516  208.2034       15.37070  214.4448       10.84347  2863.630 106.0213 2908.486 73.64066 -44.85620      129.0871 
1 1 1 -5  3  3  o 1764.512 47.36979 79.55947       3.972930  80.59895       4.863035  77.47334       6.889231  1782.808 53.87896 1746.217 77.92717 36.59082       94.73957 
1 1 1 -5  3  4  o ?        ?        199.7159       7.148674  194.3929       10.10944  205.0396       10.11006  ?        ?        ?        ?        ?              ?        
1 1 1 -5  3  5  f ?        ?        103.0388       3.733581  101.6762       5.891774  103.9531       4.826342  ?        ?        ?        ?        ?              ?        
1 1 1 -5  3  6  o 4965.030 66.37546 631.7686       16.68411  627.0533       23.59977  636.4799       23.59002  4946.267 94.24247 4983.793 93.49418 -37.52686      132.7509 
1 1 1 -5  3  7  o 980.1635 30.15769 24.26408       1.465483  24.73999       2.331637  23.95332       1.884156  987.9807 46.61533 972.3461 38.27475 15.63458       60.31539 
1 1 1 -5  3  8  o 666.2955 46.22586 11.30597       1.549676  11.30597       1.549676  0.000000       0.000000  666.2955 46.22586 ?        ?        ?              ?        
1 1 1 -5  3  9  o 2299.230 56.67350 134.7765       6.169158  134.4920       10.84268  134.9127       7.501790  2294.750 93.32919 2303.710 64.32110 -8.960205      113.3470 
1 1 1 -5  3  10 o 787.7158 29.30354 15.73553       1.164367  14.57902       1.607893  17.01073       1.688383  756.7126 42.13746 818.7191 40.73356 -62.00653      58.60707 
1 1 1 -5  3  11 o 1400.470 33.55474 49.37999       2.333068  47.78835       2.995754  51.83333       3.719322  1372.375 43.11714 1428.566 51.42564 -56.19177      67.10949 
1 1 1 -5  3  12 o 371.9341 47.36987 3.633529       0.8362373 3.662030       1.064146  3.587514       1.352164  375.2551 57.87433 368.6132 75.00787 6.641937       94.73974 
1 1 1 -5  3  13 o 2079.162 51.76719 113.6885       4.635173  116.8994       5.349842  104.0211       9.282825  2144.730 49.27023 2013.594 91.05938 131.1361       103.5344 
1 1 1 -5  3  14 o 2801.829 63.41074 200.6385       8.508579  207.5114       14.73272  197.1988       10.42245  2829.689 102.8397 2773.969 74.21382 55.72070       126.8215 
1 1 1 -5  3  15 o 1115.485 37.18204 31.74141       2.099596  31.83341       2.950616  31.64703       2.988295  1117.190 52.16776 1113.780 52.99566 3.409302       74.36407 
1 1 1 -5  3  16 o 376.0945 60.30263 3.817911       1.121811  3.679369       1.602993  3.950888       1.570469  369.0167 87.18769 383.1725 83.33027 -14.15579      120.6053 
1 1 1 -5  3  17 o 823.7269 40.13677 17.56081       1.661744  17.14091       2.386461  17.95603       2.315278  813.6362 58.32180 833.8175 55.15804 -20.18127      80.27354 
1 1 1 -5  3  18 o 355.6101 74.64023 3.495167       1.385800  3.491140       1.684979  3.503587       2.436160  354.2050 92.83598 357.0152 116.9023 -2.810120      149.2805 
1 1 1 -5  3  19 o 312.5326 89.20271 2.723693       1.481041  0.000000       0.000000  2.723693       1.481041  ?        ?        312.5326 89.20271 ?              ?        
1 1 1 -5  3  20 o 1240.515 41.05612 40.53291       2.565486  43.60065       3.601741  37.37353       3.655139  1291.172 55.09912 1189.857 60.88108 101.3152       82.11224 
1 1 1 -5  3  21 o 577.3546 63.09809 9.031468       1.640590  10.92723       3.076066  8.277847       1.939459  606.4169 103.9337 548.2922 71.57692 58.12463       126.1962 
1 1 1 -5  3  22 o 283.6132 73.61050 2.278671       1.333510  2.259830       2.359784  2.287510       1.616329  287.6950 112.2184 279.5313 95.29456 8.163666       147.2210 
1 1 1 -5  3  23 o 278.8998 99.22079 2.322199       1.762547  2.322199       1.762547  0.000000       0.000000  278.8998 99.22079 ?        ?        ?              ?        
1 1 1 -5  4  1  o 1054.449 32.23551 28.16413       1.720801  28.44822       2.436104  27.88121       2.431065  1059.759 45.40516 1049.139 45.76991 10.61987       64.47102 
1 1 1 -5  4  2  f 4807.430 94.25275 585.2029       21.70850  608.8967       37.64016  573.3936       26.57330  4872.103 152.5989 4742.757 110.6703 129.3462       188.5055 
1 1 1 -5  4  3  o 1483.454 45.20312 57.16262       3.172297  57.96500       3.879518  55.54354       5.510911  1504.855 50.92128 1462.052 74.70148 42.80347       90.40623 
1 1 1 -5  4  4  o ?        ?        45.17897       2.329310  42.24520       3.292526  48.11850       3.295761  ?        ?        ?        ?        ?              ?        
1 1 1 -5  4  5  o ?        ?        79.55816       3.459321  75.61733       6.892313  80.88521       3.999585  ?        ?        ?        ?        ?              ?        
1 1 1 -5  4  6  o 2495.919 42.38871 156.9762       5.263043  164.6214       8.336463  151.9097       6.786506  2545.400 64.69074 2446.438 54.79341 98.96167       84.77741 
1 1 1 -5  4  7  f 986.2018 29.58878 24.98961       1.440582  22.94541       2.253356  26.40260       1.873433  951.4939 46.77784 1020.910 36.24660 -69.41577      59.17756 
1 1 1 -5  4  8  o 1375.444 50.24877 47.96857       3.499065  47.96857       3.499065  0.000000       0.000000  1375.444 50.24877 ?        ?        ?              ?        
1 1 1 -5  4  9  o 2988.188 72.35339 240.2096       9.991059  198.9708       17.37121  260.5946       12.21330  2778.615 123.4861 3197.761 75.44026 -419.1465      144.7068 
1 1 1 -5  4  10 o 1768.468 36.87486 80.73339       3.216634  85.77644       4.185727  73.45960       5.026950  1837.916 44.98436 1699.020 58.44167 138.8964       73.74972 
1 1 1 -5  4  11 o 2771.819 41.72100 195.3089       5.854199  191.8068       8.241199  198.8762       8.317505  2746.686 59.26492 2796.952 58.73870 -50.26611      83.44199 
1 1 1 -5  4  12 o 968.0699 33.08354 23.85919       1.579876  23.99470       2.030499  23.65129       2.515031  972.5485 41.23897 963.5912 51.74388 8.957275       66.16708 
1 1 1 -5  4  13 o 498.2365 56.24044 5.422116       1.127954  4.736151       1.245591  8.547789       2.658865  427.2673 59.17100 569.2056 95.65951 -141.9383      112.4809 
1 1 1 -5  4  14 o 809.6344 40.38634 16.66610       1.633134  19.62645       2.421820  14.19723       2.211661  875.7387 54.90162 743.5300 59.24557 132.2087       80.77268 
1 1 1 -5  4  15 o 1416.702 37.96397 51.25973       2.720735  53.52589       3.843570  48.98379       3.851844  1448.379 52.41661 1385.025 54.93224 63.35327       75.92794 
1 1 1 -5  4  16 o 1044.463 37.96768 27.98392       2.000546  27.42565       2.798843  28.56708       2.860566  1033.799 53.66052 1055.127 53.72827 -21.32849      75.93536 
1 1 1 -5  4  17 o 439.3861 57.58981 5.218271       1.232852  5.571242       1.738534  4.861225       1.748541  455.6787 78.17463 423.0936 84.58765 32.58511       115.1796 
1 1 1 -5  4  18 o 281.3568 72.66245 1.764776       1.231010  1.602473       1.439410  2.206725       2.375238  255.8363 89.79877 306.8772 114.2607 -51.04088      145.3249 
1 1 1 -5  4  19 o 662.2222 61.60498 11.57671       2.041709  0.000000       0.000000  11.57671       2.041709  ?        ?        662.2222 61.60498 ?              ?        
1 1 1 -5  4  20 o 783.7673 49.50069 16.36563       1.857386  15.99929       2.305334  17.04339       3.135694  777.8808 58.97670 789.6539 79.51744 -11.77307      99.00139 
1 1 1 -5  4  21 o 557.6183 63.67897 8.842603       1.623288  8.616527       1.970219  9.320443       2.864371  558.9396 71.24521 556.2970 105.5659 2.642639       127.3579 
1 1 1 -5  4  22 o 388.8126 65.68074 4.596593       1.284064  3.830878       1.801806  5.386815       1.830412  351.7986 97.68951 425.8265 87.82140 -74.02789      131.3615 
1 1 1 -5  4  23 o 418.3287 83.26936 5.531175       1.776930  4.301941       2.182079  7.950945       3.061543  360.1366 109.7552 476.5208 125.2555 -116.3842      166.5387 
1 1 1 -5  5  1  o 1708.128 37.55327 74.19354       3.244994  77.63794       4.592661  70.75977       4.585576  1747.891 51.89988 1668.365 54.28992 79.52612       75.10654 
1 1 1 -5  5  2  o 2336.186 57.53068 143.9893       6.422725  151.4346       11.17533  140.3171       7.848404  2361.077 93.49033 2311.295 67.07216 49.78174       115.0614 
1 1 1 -5  5  3  o ?        ?        217.4553       8.836842  216.0959       10.81686  220.1831       15.32293  ?        ?        ?        ?        ?              ?        
1 1 1 -5  5  4  f ?        ?        114.0659       4.080207  113.1700       6.446632  114.6646       5.270111  ?        ?        ?        ?        ?              ?        
1 1 1 -5  5  5  o 1241.230 28.15228 39.11696       1.768963  39.73582       2.517130  38.51307       2.486534  1250.936 39.74541 1231.525 39.88113 19.41040       56.30455 
1 1 1 -5  5  6  o 1812.271 36.27540 83.56654       3.256290  81.89309       5.143182  84.68614       4.206835  1796.736 56.54105 1827.807 45.46127 -31.07043      72.55080 
1 1 1 -5  5  7  o 3317.516 56.58148 279.6135       9.502542  283.5869       13.44296  275.6452       13.43429  3341.154 79.47211 3293.878 80.56078 47.27637       113.1630 
1 1 1 -5  5  8  o 1605.672 51.41293 65.40179       4.179389  65.40179       4.179389  0.000000       0.000000  1605.672 51.41293 ?        ?        ?              ?        
1 1 1 -5  5  9  o 2463.644 66.75874 154.5831       8.326639  0.000000       0.000000  154.5831       8.326639  ?        ?        2463.644 66.75874 ?              ?        
1 1 1 -5  5  10 o 2391.839 42.64081 146.4212       5.051419  149.6814       6.542243  141.6081       7.949076  2426.442 53.25655 2357.237 66.60852 69.20581       85.28162 
1 1 1 -5  5  11 o 1485.270 30.74626 56.01785       2.309904  58.36798       3.252946  53.62754       3.280625  1516.805 42.36073 1453.734 44.57465 63.07129       61.49253 
1 1 1 -5  5  12 o 909.2640 33.51125 21.38149       1.476146  22.39828       1.870682  19.70358       2.403085  939.6746 39.32230 878.8534 54.27497 60.82123       67.02251 
1 1 1 -5  5  13 o 738.6934 50.26373 13.60751       1.453237  13.33170       1.609616  14.82366       3.379918  723.0469 44.18363 754.3398 90.29716 -31.29291      100.5275 
1 1 1 -5  5  14 o 409.7058 55.29074 4.739505       1.079734  2.910991       1.626096  6.181453       1.444016  330.9422 93.12671 488.4694 59.62954 -157.5272      110.5815 
1 1 1 -5  5  15 o 1696.494 37.22866 74.34151       3.122772  77.99773       4.064713  69.07513       4.878314  1749.718 45.88579 1643.269 58.63776 106.4487       74.45732 
1 1 1 -5  5  16 o 523.6019 61.16843 7.526937       1.484527  6.606793       2.454561  8.057638       1.864106  492.1482 101.8694 555.0557 67.74168 -62.90753      122.3369 
1 1 1 -5  5  17 o 298.9501 69.74580 1.707340       1.201661  4.000609       2.210662  0.7455564      1.431639  379.1356 109.2203 218.7646 86.76880 160.3709       139.4916 
1 1 1 -5  5  18 o 572.9802 62.51746 8.653426       1.784098  8.653426       1.784098  0.000000       0.000000  572.9802 62.51746 ?        ?        ?              ?        
1 1 1 -5  5  19 o 1441.650 58.62371 54.34838       4.278749  0.000000       0.000000  54.34838       4.278749  ?        ?        1441.650 58.62371 ?              ?        
1 1 1 -5  5  20 o 739.4272 54.61390 14.88874       1.901695  14.79297       2.343712  15.07330       3.253612  745.0173 62.72105 733.8372 89.42472 11.18011       109.2278 
1 1 1 -5  5  21 o 283.0462 65.35507 2.042971       1.184420  3.718128       1.742393  0.6039762      1.614909  352.0669 95.38572 214.0255 89.36838 138.0414       130.7101 
1 1 1 -5  5  22 o 270.3171 70.63564 2.055006       1.281266  1.863287       1.811105  2.247097       1.812865  262.5529 99.35101 278.0813 100.4338 -15.52838      141.2713 
1 1 1 -5  5  23 o 316.6634 83.03097 3.429892       1.850064  4.175710       2.125224  1.096149       3.759368  354.3038 108.3838 279.0229 125.8154 75.28088       166.0619 
1 1 1 -5  6  1  o ?        ?        237.0215       9.352557  229.6237       11.43491  251.9703       16.25494  ?        ?        ?        ?        ?              ?        
1 1 1 -5  6  2  o ?        ?        25.40896       1.886355  28.28479       3.335754  24.05697       2.287181  ?        ?        ?        ?        ?              ?        
1 1 1 -5  6  3  o ?        ?        126.5291       7.071738  128.6360       10.00701  124.4273       9.994901  ?        ?        ?        ?        ?              ?        
1 1 1 -5  6  4  o 1752.912 31.59134 78.77272       2.803159  77.41839       3.970829  80.11813       3.957735  1737.665 45.13688 1768.159 44.21215 -30.49438      63.18269 
1 1 1 -5  6  5  o 1190.836 30.73841 35.74464       1.817699  37.02375       2.887960  34.90549       2.339149  1208.197 47.21391 1173.475 39.37317 34.72144       61.47683 
1 1 1 -5  6  6  o 3702.111 62.70215 348.5413       11.75205  349.8788       16.62605  347.2058       16.61377  3709.236 88.53624 3694.987 88.81202 14.24902       125.4043 
1 1 1 -5  6  7  o 1133.930 33.34809 32.59339       1.914189  33.28659       2.713570  31.90680       2.700622  1145.944 46.77285 1121.917 47.54661 24.02747       66.69617 
1 1 1 -5  6  8  o 1878.237 56.07571 89.58787       5.332231  89.58787       5.332231  0.000000       0.000000  1878.237 56.07571 ?        ?        ?              ?        
1 1 1 -5  6  9  o 761.7074 48.27237 14.79863       1.851908  0.000000       0.000000  14.79863       1.851908  ?        ?        761.7074 48.27237 ?              ?        
1 1 1 -5  6  10 o 1386.931 33.41190 49.39234       2.299755  51.96271       3.017037  45.82767       3.552976  1430.972 41.64529 1342.890 52.25984 88.08154       66.82381 
1 1 1 -5  6  11 o 865.0450 34.85031 19.22167       1.501157  22.53781       2.111874  15.83499       2.134217  942.4224 44.26278 787.6676 53.84220 154.7548       69.70061 
1 1 1 -5  6  12 o 802.1448 31.89180 16.43473       1.277291  16.74522       1.701927  16.03432       1.932728  811.2397 41.57861 793.0498 48.36908 18.18994       63.78361 
1 1 1 -5  6  13 o 2144.479 54.99973 121.6581       5.005166  125.0825       5.741558  110.8178       10.21541  2216.903 51.15633 2072.055 97.38025 144.8486       109.9995 
1 1 1 -5  6  14 o 1885.875 59.59293 90.87859       5.689724  0.000000       0.000000  90.87859       5.689724  ?        ?        1885.875 59.59293 ?              ?        
1 1 1 -5  6  15 o 367.1922 62.30664 3.312521       1.090637  2.645133       1.316409  4.773304       1.947576  314.0590 81.93279 420.3255 93.89085 -106.2665      124.6133 
1 1 1 -5  6  16 o 557.8168 51.04334 8.464153       1.303476  9.060760       1.614393  7.346819       2.209312  591.8973 54.48575 523.7364 86.33073 68.16089       102.0867 
1 1 1 -5  6  17 o 422.5591 55.14397 4.812431       1.134710  5.331316       1.648960  4.345717       1.563865  445.2886 75.86461 399.8295 80.04992 45.45911       110.2879 
1 1 1 -5  6  18 o 472.1683 69.10930 5.817594       1.492666  5.086058       1.774372  7.588561       2.760782  429.3565 84.63754 514.9800 109.2743 -85.62344      138.2186 
1 1 1 -5  6  19 o 767.0840 64.19518 15.60841       2.470119  0.000000       0.000000  15.60841       2.470119  ?        ?        767.0840 64.19518 ?              ?        
1 1 1 -5  6  20 o 816.9619 51.25032 18.48289       1.994301  19.57714       2.525934  16.67186       3.249573  859.4791 58.39651 774.4447 84.23911 85.03442       102.5006 
1 1 1 -5  6  21 o 875.4025 43.76205 20.72550       1.926531  20.30574       2.687869  21.16896       2.762725  866.4469 61.67757 884.3581 62.09947 -17.91119      87.52409 
1 1 1 -5  6  22 o 544.1396 71.36623 9.359633       1.758930  9.786604       2.145801  8.485177       3.070854  587.3257 73.79420 500.9536 122.1760 86.37213       142.7325 
1 1 1 -5  6  23 o 400.1760 83.51925 5.519627       1.723408  5.346222       2.049883  5.937713       3.182966  407.4646 100.0933 392.8874 133.7281 14.57724       167.0385 
1 1 1 -5  7  1  o ?        ?        427.6223       14.30913  424.4714       20.23417  430.7745       20.23815  ?        ?        ?        ?        ?              ?        
1 1 1 -5  7  2  o ?        ?        44.41567       2.733126  42.94592       4.791094  45.12470       3.327701  ?        ?        ?        ?        ?              ?        
1 1 1 -5  7  3  o 427.0722 41.58501 4.519749       0.8232939 4.115763       0.9890144 5.431483       1.485776  398.6100 50.11633 455.5345 66.37475 -56.92447      83.17003 
1 1 1 -5  7  4  o 865.2037 46.30474 19.11125       2.011200  20.29520       2.899671  18.01365       2.791920  891.2374 64.70577 839.1699 66.25464 52.06750       92.60947 
1 1 1 -5  7  5  o 1217.859 38.98970 36.17989       2.293041  42.34446       4.003831  33.17101       2.797221  1291.835 61.21885 1143.884 48.30156 147.9504       77.97941 
1 1 1 -5  7  6  o 2391.762 46.00027 145.1797       5.569562  143.0222       7.881915  147.3313       7.871198  2373.965 65.58037 2409.559 64.52375 -35.59448      92.00054 
1 1 1 -5  7  7  o 3821.891 81.82153 381.8230       14.74390  397.4620       18.06387  350.6109       25.51922  3949.610 90.33852 3694.172 136.4478 255.4377       163.6431 
1 1 1 -5  7  8  o 3449.754 74.92442 309.3748       12.25038  316.5783       15.00770  294.9915       21.20668  3519.949 84.21588 3379.559 123.9450 140.3894       149.8488 
1 1 1 -5  7  9  o 787.2020 43.21135 17.44823       1.514983  11.75558       2.544669  20.57385       1.885567  674.1414 75.87739 900.2626 41.37035 -226.1212      86.42271 
1 1 1 -5  7  10 o 1579.545 37.61519 63.39578       3.007961  62.90331       4.247602  63.89118       4.260224  1573.377 53.32455 1585.713 53.06696 -12.33557      75.23038 
1 1 1 -5  7  11 o 1027.243 41.91618 26.26103       2.085946  29.27437       3.548834  24.67041       2.578367  1070.369 65.80792 984.1167 51.93439 86.25244       83.83235 
1 1 1 -5  7  12 o 246.0911 61.45416 1.240236       0.9760294 0.6457681      1.313682  1.972728       1.458236  211.3718 83.34479 280.8104 90.33327 -69.43858      122.9083 
1 1 1 -5  7  13 o 1105.505 42.59081 31.06578       2.383746  31.06578       2.383746  0.000000       0.000000  1105.505 42.59081 ?        ?        ?              ?        
1 1 1 -5  7  14 o 578.5928 41.47361 8.662618       1.189602  8.834295       1.602733  8.452015       1.775151  585.7861 54.67490 571.3995 62.37705 14.38660       82.94722 
1 1 1 -5  7  15 o 475.1281 56.27296 5.820901       1.244316  5.464608       1.521855  6.539466       2.161239  456.1195 67.98058 494.1367 89.69518 -38.01724      112.5459 
1 1 1 -5  7  16 o 946.3541 36.45838 22.93228       1.704018  22.62772       2.187595  23.40219       2.717336  940.4706 45.94498 952.2377 56.62077 -11.76703      72.91676 
1 1 1 -5  7  17 o 432.8693 54.24961 5.001220       1.134360  3.827798       1.524355  6.457434       1.698133  373.3827 82.80894 492.3559 70.10535 -118.9731      108.4992 
1 1 1 -5  7  18 o 1016.982 53.85939 27.65658       2.457025  27.69590       2.899157  27.55633       4.628897  1030.632 55.77036 1003.332 92.15749 27.29956       107.7188 
1 1 1 -5  7  19 o 443.5641 69.01662 5.979879       1.481678  4.354202       2.423258  6.950547       1.872483  382.8788 115.4340 504.2494 75.68463 -121.3705      138.0332 
1 1 1 -5  7  20 o 423.5345 74.62174 5.278128       1.569687  4.731866       2.018713  6.113452       2.496328  399.0412 100.0970 448.0279 110.6987 -48.98672      149.2435 
1 1 1 -5  7  21 o 591.0790 54.08899 9.928819       1.549019  10.20675       2.033953  9.544999       2.390203  607.9290 67.20938 574.2289 84.76659 33.70013       108.1780 
1 1 1 -5  7  22 o 555.6919 61.28974 9.213526       1.634501  11.21611       2.320989  7.243245       2.302194  627.2773 74.54469 484.1065 97.30785 143.1708       122.5795 
1 1 1 -5  7  23 o 564.2550 62.03555 9.777547       1.685741  10.44205       2.261125  8.946028       2.529359  597.3651 76.52470 531.1448 97.66068 66.22028       124.0711 
1 1 1 -5  8  1  o 2949.847 51.88737 222.6160       7.748420  219.5634       10.95869  225.6678       10.95715  2929.407 73.89161 2970.287 72.86446 -40.87964      103.7747 
1 1 1 -5  8  2  o 2145.360 52.52783 116.0763       5.386315  121.2365       9.394729  113.5496       6.574113  2178.039 85.19911 2112.681 61.46383 65.35767       105.0557 
1 1 1 -5  8  3  o 748.5607 43.85405 14.81578       1.503918  13.07668       2.651802  15.64036       1.825968  713.1715 74.54696 783.9500 46.21106 -70.77844      87.70810 
1 1 1 -5  8  4  o 1608.117 33.30285 66.10345       2.643297  62.99817       4.184575  68.16517       3.409684  1576.152 52.44084 1640.083 41.06432 -63.93103      66.60571 
1 1 1 -5  8  5  f 1678.385 38.15730 71.45384       3.240350  74.47387       4.590501  68.45464       4.574634  1713.799 52.90743 1642.971 54.99749 70.82776       76.31461 
1 1 1 -5  8  6  o 1671.606 48.22765 73.26335       3.777241  77.50433       4.634058  64.86753       6.520191  1748.110 52.36113 1595.102 81.00580 153.0084       96.45531 
1 1 1 -5  8  7  o 3230.383 114.2950 267.9778       18.69239  267.9778       18.69239  0.000000       0.000000  3230.383 114.2950 ?        ?        ?              ?        
1 1 1 -5  8  8  o 4019.966 96.13869 415.1689       19.56610  0.000000       0.000000  415.1689       19.56610  ?        ?        4019.966 96.13869 ?              ?        
1 1 1 -5  8  9  o 2861.428 63.15099 208.0099       8.655385  215.5691       14.99710  204.2346       10.59868  2894.530 102.3401 2828.327 74.01822 66.20239       126.3020 
1 1 1 -5  8  10 o 985.2250 41.53960 24.57001       1.948657  24.22992       2.383612  25.25536       3.383693  976.8640 48.19676 993.5859 67.66998 -16.72198      83.07920 
1 1 1 -5  8  11 o 1592.300 43.75218 65.16404       3.100527  65.87885       3.619767  63.19478       6.008109  1610.962 44.38249 1573.637 75.41358 37.32471       87.50436 
1 1 1 -5  8  12 o 708.9375 34.91853 12.99283       1.220569  13.72057       1.605297  11.99560       1.879165  733.6140 43.41516 684.2610 54.70227 49.35291       69.83707 
1 1 1 -5  8  13 o 1471.316 35.56326 55.47589       2.577262  56.61110       3.303607  53.71064       4.119599  1491.812 43.74119 1450.820 56.08644 40.99231       71.12651 
1 1 1 -5  8  14 o 1415.027 38.41175 51.28643       2.741877  55.99915       3.865436  46.51393       3.889880  1481.269 51.54431 1348.785 56.96521 132.4843       76.82351 
1 1 1 -5  8  15 o 1210.826 46.34335 38.78364       2.668617  41.04975       3.328707  34.70710       4.464589  1266.631 51.90891 1155.021 76.78730 111.6100       92.68670 
1 1 1 -5  8  16 o 715.4464 38.72822 13.08877       1.361351  12.51310       1.735696  14.00900       2.194490  696.5726 49.54094 734.3203 59.54154 -37.74762      77.45644 
1 1 1 -5  8  17 o 941.8246 38.21235 23.68163       1.752001  26.73076       2.306654  19.52405       2.693487  1019.935 44.67109 863.7145 62.00991 156.2202       76.42471 
1 1 1 -5  8  18 o 927.6707 40.93646 23.64533       1.804044  27.59967       2.345918  17.92230       2.822206  1034.412 44.79561 820.9289 68.53122 213.4835       81.87292 
1 1 1 -5  8  19 o 232.5430 66.33996 0.8965762      1.213753  0.2036414      1.955149  1.331080       1.548213  222.0489 95.71473 243.0371 91.88390 -20.98825      132.6799 
1 1 1 -5  8  20 o 390.7913 70.60338 4.717373       1.416750  5.427123       1.844503  3.696166       2.212501  433.7423 87.02353 347.8403 111.2037 85.90201       141.2068 
1 1 1 -5  8  21 o 153.1972 51.38782 -1.462379      1.074764  -1.192522      1.488675  -1.756163      1.553274  156.5380 73.56811 149.8564 71.76743 6.681610       102.7756 
1 1 1 -5  8  22 o 438.2484 68.46829 6.070345       1.475497  5.386599       2.206353  6.623534       1.984561  406.3952 106.0960 470.1016 86.57519 -63.70636      136.9366 
1 1 1 -5  8  23 o 615.0798 73.99260 12.40379       2.128158  12.54942       3.517054  12.31967       2.673056  594.1719 121.0289 635.9879 85.15649 -41.81598      147.9852 
1 1 1 -5  9  1  o 4350.207 70.75357 482.7556       15.58245  479.8459       22.03857  485.6643       22.03525  4336.995 100.3716 4363.418 99.74874 -26.42334      141.5071 
1 1 1 -5  9  2  o 874.7452 37.43496 18.56980       1.552686  22.14390       2.799564  16.98200       1.865973  932.2581 59.62816 817.2323 45.27680 115.0258       74.86993 
1 1 1 -5  9  3  o 1088.119 38.47456 29.33093       1.991395  32.27079       3.529556  27.95808       2.411958  1125.992 62.15648 1050.246 45.36230 75.74585       76.94911 
1 1 1 -5  9  4  o 887.3037 30.88272 19.97425       1.382956  21.36558       1.976536  18.63983       1.935694  918.1981 42.51916 856.4094 44.80058 61.78870       61.76545 
1 1 1 -5  9  5  o 906.2324 32.12837 20.84860       1.471005  21.46621       2.084350  20.23575       2.076305  920.2277 44.73955 892.2371 46.12268 27.99060       64.25674 
1 1 1 -5  9  6  f 1162.207 41.86253 34.99966       2.292348  32.58791       3.964491  36.21101       2.809659  1129.701 69.65686 1194.714 46.45219 -65.01331      83.72505 
1 1 1 -5  9  7  o 1422.776 44.50576 52.15071       3.002020  53.21692       3.682833  50.03942       5.182458  1447.164 50.26673 1398.388 73.45957 48.77625       89.01153 
1 1 1 -5  9  8  o 1046.294 66.69099 28.03615       3.514276  28.03615       3.514276  0.000000       0.000000  1046.294 66.69099 ?        ?        ?              ?        
1 1 1 -5  9  9  o 2312.604 55.07633 135.8645       6.084124  134.4833       7.441927  138.6484       10.56524  2298.211 63.96048 2326.998 89.68090 -28.78613      110.1527 
1 1 1 -5  9  10 o 1046.308 40.89458 26.96828       2.057417  31.05062       3.584729  24.96296       2.512422  1102.544 64.50205 990.0724 50.28870 112.4711       81.78917 
1 1 1 -5  9  11 o 1096.963 42.82774 30.46194       2.246221  31.46073       3.876913  29.95724       2.755915  1108.308 69.44492 1085.617 50.14245 22.69141       85.65548 
1 1 1 -5  9  12 o 1111.760 33.41545 31.73174       1.847753  33.16524       2.430431  29.76839       2.844351  1142.365 42.02374 1081.154 51.96513 61.21118       66.83091 
1 1 1 -5  9  13 o 697.6211 35.71853 12.46625       1.226045  12.44313       1.579795  12.50128       1.944139  697.6884 44.96499 697.5538 55.51039 0.1345825      71.43707 
1 1 1 -5  9  14 o 1362.362 46.68084 48.75768       3.021260  50.96809       3.745270  44.63918       5.112294  1412.322 52.38005 1312.402 77.28346 99.91992       93.36168 
1 1 1 -5  9  15 o 557.0781 52.56517 8.016335       1.382591  7.628461       1.705776  8.759183       2.360619  540.4799 63.55247 573.6762 83.74647 -33.19629      105.1303 
1 1 1 -5  9  16 o 674.7448 40.02205 11.71673       1.318859  11.32150       1.672463  12.36668       2.144689  661.6127 50.30776 687.8767 62.25902 -26.26398      80.04409 
1 1 1 -5  9  17 o 630.2319 43.21931 9.960209       1.324972  8.381002       1.656904  12.76120       2.206654  564.5420 58.83639 695.9218 63.32389 -131.3798      86.43862 
1 1 1 -5  9  18 o 303.3934 70.12843 2.527168       1.239044  2.813473       1.820638  2.280163       1.691071  316.4819 100.8444 290.3049 97.48022 26.17700       140.2569 
1 1 1 -5  9  19 o 301.5928 72.68751 2.522793       1.334788  2.152859       1.849913  2.924554       1.927849  284.4610 101.6020 318.7247 103.9756 -34.26370      145.3750 
1 1 1 -5  9  20 o 503.8907 71.33668 8.173368       1.665760  9.360149       2.067029  5.974868       2.813356  580.9766 71.80383 426.8049 123.2879 154.1717       142.6734 
1 1 1 -5  9  21 o 434.7730 63.25752 5.605927       1.345355  4.260300       1.797298  7.320744       2.028929  370.2419 95.31718 499.3041 83.19069 -129.0622      126.5150 
1 1 1 -5  9  22 o 626.8002 76.88973 10.94179       2.035869  9.246823       2.300734  17.05807       4.370478  557.0406 84.21049 696.5597 128.6729 -139.5191      153.7795 
1 1 1 -5  10 1  o 1207.566 33.88630 36.98573       2.069842  35.14096       2.923296  38.84038       2.931116  1177.312 49.04531 1237.819 46.77267 -60.50684      67.77260 
1 1 1 -5  10 2  o 2725.439 49.83262 188.8036       6.864799  201.6576       9.725502  176.0401       9.691172  2818.253 68.16294 2632.625 72.71158 185.6282       99.66524 
1 1 1 -5  10 3  o 1913.714 59.76950 92.92850       5.790822  0.000000       0.000000  92.92850       5.790822  ?        ?        1913.714 59.76950 ?              ?        
1 1 1 -5  10 4  o 915.6405 39.22902 20.99464       1.726135  22.52345       2.964351  20.21033       2.123232  939.7684 62.66463 891.5126 47.21026 48.25586       78.45805 
1 1 1 -5  10 5  o 1844.270 48.93424 87.06927       4.304600  88.15294       5.286733  84.93766       7.414733  1863.011 56.05162 1825.528 80.22752 37.48328       97.86848 
1 1 1 -5  10 6  o 1058.277 32.80349 28.43983       1.757170  29.23271       2.495660  27.66033       2.474501  1072.937 45.94387 1043.618 46.83413 29.31873       65.60698 
1 1 1 -5  10 7  f 990.9668 40.88164 26.52091       1.868990  29.36564       2.308606  21.11018       3.183880  1075.329 42.40575 906.6044 69.90698 168.7247       81.76328 
1 1 1 -5  10 8  o 229.2776 58.39827 1.389272       0.6797324 0.000000       0.000000  1.389272       0.6797324 ?        ?        229.2776 58.39827 ?              ?        
1 1 1 -5  10 9  o 1640.868 37.91649 68.51454       3.140061  61.90535       4.414826  75.28107       4.467068  1560.400 55.88483 1721.335 51.25939 -160.9352      75.83298 
1 1 1 -5  10 10 o 1282.181 35.31269 41.76909       2.292132  41.15630       3.227409  42.39275       3.255908  1272.679 50.09006 1291.684 49.78886 -19.00525      70.62538 
1 1 1 -5  10 11 o 533.1630 45.85749 7.209417       1.177763  6.762296       1.479636  7.982559       1.945682  511.9142 58.12214 554.4118 70.94685 -42.49759      91.71499 
1 1 1 -5  10 12 o 799.3691 47.18393 17.45437       1.588286  18.44528       1.843664  14.60224       3.127868  850.5100 42.95626 748.2282 84.02411 102.2818       94.36785 
1 1 1 -5  10 13 o 307.6360 61.71639 2.485076       1.001504  2.840532       1.514369  2.208765       1.335175  325.7051 89.21066 289.5669 85.30598 36.13818       123.4328 
1 1 1 -5  10 14 o 639.6248 55.35022 10.64101       1.745694  12.01359       2.626880  9.555407       2.336177  676.7339 78.10670 602.5157 78.44698 74.21820       110.7004 
1 1 1 -5  10 15 o 170.7579 54.36079 -0.6574728     0.9965496 -0.1152337     1.267413  -1.535622      1.612899  177.0223 76.68256 164.4936 77.07247 12.52869       108.7216 
1 1 1 -5  10 16 o 299.4361 64.26053 2.344867       1.024334  2.078286       1.272161  2.836336       1.727333  277.5320 83.63046 321.3402 97.58897 -43.80820      128.5211 
1 1 1 -5  10 17 o 500.7286 78.88442 8.921281       1.558717  9.764314       1.692609  4.216239       3.998676  610.2259 55.39110 391.2313 147.7255 218.9946       157.7688 
1 1 1 -5  10 18 o 329.0844 70.76324 3.061317       1.295613  2.423104       1.765819  3.805541       1.906844  296.6514 99.61133 361.5174 100.5352 -64.86600      141.5265 
1 1 1 -5  10 19 o 163.3239 53.86005 -1.263854      1.109957  -2.075335      1.662052  -0.6105997     1.491236  153.7076 73.77699 172.9402 78.48935 -19.23262      107.7201 
1 1 1 -5  10 20 o 262.6492 71.62045 1.727054       1.368373  2.299981       1.915779  1.130327       1.955165  283.2614 103.1007 242.0370 99.43948 41.22447       143.2409 
1 1 1 -5  10 21 o 582.3890 58.45443 9.621453       1.609979  6.674984       2.099394  13.82838       2.508566  466.9908 92.07027 697.7874 72.04686 -230.7966      116.9089 
1 1 1 -5  10 22 o 642.3329 72.87817 10.33724       1.960720  7.843145       2.187292  20.53952       4.423834  505.5458 88.69460 779.1201 115.6641 -273.5743      145.7563 
1 1 1 -5  11 1  o 570.2781 33.76920 8.268598       0.9706270 0.000000       0.000000  8.268598       0.9706270 ?        ?        570.2781 33.76920 ?              ?        
1 1 1 -5  11 2  o 1958.139 52.86456 101.3515       4.845941  108.7448       5.956511  86.87950       8.333658  2069.844 56.84219 1846.434 89.14937 223.4099       105.7291 
1 1 1 -5  11 3  o 1452.190 48.66867 53.57026       3.549514  62.04318       5.160656  45.96332       4.889829  1562.266 65.24788 1342.114 72.23070 220.1516       97.33735 
1 1 1 -5  11 4  o 969.2515 32.33331 23.83899       1.586174  24.62882       2.257656  23.06908       2.228997  985.1282 45.26696 953.3747 46.18089 31.75354       64.66662 
1 1 1 -5  11 5  o 762.9520 33.33133 14.85301       1.278435  16.04804       1.818524  13.68530       1.797619  793.6244 45.44963 732.2795 48.76722 61.34485       66.66267 
1 1 1 -5  11 6  o 1246.142 48.75506 39.77570       3.063820  39.56059       4.337738  39.98985       4.328071  1242.712 69.22079 1249.572 68.67828 -6.859985      97.51012 
1 1 1 -5  11 7  f 1018.146 44.93524 26.33176       2.316224  26.33176       2.316224  0.000000       0.000000  1018.146 44.93524 ?        ?        ?              ?        
1 1 1 -5  11 8  o 660.5972 45.39609 11.13191       1.509019  0.000000       0.000000  11.13191       1.509019  ?        ?        660.5972 45.39609 ?              ?        
1 1 1 -5  11 9  o 1945.230 41.15882 96.27522       4.052340  93.49467       5.716370  99.08417       5.745488  1916.877 58.90368 1973.584 57.50263 -56.70679      82.31765 
1 1 1 -5  11 10 o 651.3384 35.55297 10.85065       1.163121  11.10389       1.652577  10.60205       1.637333  658.9646 49.90570 643.7123 50.65054 15.25232       71.10595 
1 1 1 -5  11 11 o 1035.017 34.88395 27.32098       1.822893  28.82634       2.584559  25.83090       2.571411  1064.205 47.97087 1005.830 50.65922 58.37518       69.76791 
1 1 1 -5  11 12 o 1605.315 45.88996 64.34167       3.540766  60.86108       4.318571  71.47991       6.184562  1543.546 55.26329 1667.084 73.27702 -123.5378      91.77991 
1 1 1 -5  11 13 o 190.8021 55.36434 0.2215358      0.8955995 -0.6560733     1.385914  0.8507970      1.173549  170.0605 76.56407 211.5437 79.99239 -41.48326      110.7287 
1 1 1 -5  11 14 o 158.7264 70.67924 -0.4079451     1.146301  -0.4079451     1.146301  0.000000       0.000000  158.7264 70.67924 ?        ?        ?              ?        
1 1 1 -5  11 15 f 977.5298 55.24270 24.72686       2.722744  24.72686       2.722744  0.000000       0.000000  977.5298 55.24270 ?        ?        ?              ?        
1 1 1 -5  11 16 o 344.3526 67.35656 3.324107       1.209702  3.404603       1.805665  3.258557       1.629431  347.6754 98.23896 341.0298 92.17773 6.645569       134.7131 
1 1 1 -5  11 17 o 209.5536 69.71458 -0.5839124     1.162377  -0.4634989     1.226531  -1.645464      3.641763  160.6955 72.21748 258.4118 119.2691 -97.71626      139.4292 
1 1 1 -5  11 18 o 287.1292 71.54651 2.085390       1.354913  0.9961559      1.905684  3.198854       1.926764  242.9448 98.80167 331.3136 103.5077 -88.36876      143.0930 
1 1 1 -5  11 19 o 770.1769 45.74738 16.09569       1.763119  16.75560       2.453814  15.39138       2.535021  788.6824 61.95340 751.6714 67.32805 37.01099       91.49475 
1 1 1 -5  11 20 o 450.1261 71.42501 6.531785       1.560310  7.129247       1.979424  5.551329       2.535701  494.0791 82.00875 406.1731 116.9645 87.90598       142.8500 
1 1 1 -5  11 21 o 243.5421 64.95734 1.522618       1.125319  2.346347       1.634120  0.7796551      1.551941  276.1346 95.74944 210.9496 87.80585 65.18503       129.9147 
1 1 1 -5  11 22 o 669.1143 81.56691 15.69017       2.219752  16.13433       2.569176  14.38232       4.408620  749.6575 68.44858 588.5711 148.0791 161.0864       163.1338 
1 1 1 -5  12 1  o 883.7516 29.76079 20.07592       1.284035  18.90060       2.069298  20.81181       1.637396  861.5216 47.62804 905.9816 35.69857 -44.46002      59.52158 
1 1 1 -5  12 2  o 3044.118 77.61516 236.5508       11.96167  236.5508       11.96167  0.000000       0.000000  3044.118 77.61516 ?        ?        ?              ?        
1 1 1 -5  12 3  o 1375.985 44.84795 48.31139       2.912101  48.27449       5.124765  48.32898       3.538990  1373.046 73.99654 1378.924 50.69385 -5.877930      89.69590 
1 1 1 -5  12 4  o 2626.054 48.49452 176.0726       6.447139  174.5890       9.120175  177.5546       9.115090  2614.895 68.89146 2637.213 68.27035 -22.31860      96.98904 
1 1 1 -5  12 5  o 904.9031 34.18290 20.88128       1.560339  20.87505       2.209156  20.88749       2.204157  904.7606 48.40456 905.0455 48.27921 -0.2849731     68.36581 
1 1 1 -5  12 6  o 100.1164 32.36301 -0.3796397     0.3695223 -0.5318906     0.5200535 -0.2243898     0.5251507 93.50317 43.79567 106.7296 47.65919 -13.22640      64.72603 
1 1 1 -5  12 7  o 1080.621 42.46399 30.44906       2.160688  31.76362       2.655717  27.87504       3.716183  1118.270 46.90849 1042.971 70.79800 75.29944       84.92799 
1 1 1 -5  12 8  o 1567.111 75.07200 62.70206       5.956092  0.000000       0.000000  62.70206       5.956092  ?        ?        1567.111 75.07200 ?              ?        
1 1 1 -5  12 9  o 1804.385 39.73404 82.88308       3.628716  80.58369       5.129838  85.18595       5.133725  1779.198 56.95025 1829.571 55.42423 -50.37256      79.46809 
1 1 1 -5  12 10 o 437.6680 41.95227 4.976205       0.9052131 5.090847       1.274121  4.859363       1.286295  443.0517 58.21222 432.2843 60.42608 10.76743       83.90455 
1 1 1 -5  12 11 o 394.2502 42.55626 4.070092       0.8191876 4.513366       1.165214  3.636880       1.151913  416.6176 56.71809 371.8829 63.46021 44.73465       85.11252 
1 1 1 -5  12 12 o 1448.684 47.21714 54.55866       3.224540  55.62194       3.937474  52.39345       5.618797  1475.416 52.71323 1421.952 78.35273 53.46399       94.43429 
1 1 1 -5  12 13 o 534.7951 47.26329 7.515863       1.219617  7.306880       1.931837  7.654358       1.572648  526.4241 74.57093 543.1661 58.09002 -16.74194      94.52658 
1 1 1 -5  12 14 o 461.8989 45.83046 5.542444       1.029724  4.535195       1.374636  6.830310       1.554371  413.0220 68.11501 510.7758 61.33573 -97.75385      91.66093 
1 1 1 -5  12 15 o 550.4180 52.25522 8.377449       1.358634  9.843041       1.815092  6.510003       2.048878  613.0372 59.22019 487.7989 86.11273 125.2383       104.5104 
1 1 1 -5  12 16 o 722.5092 48.13917 14.62700       1.537592  15.75763       1.849655  12.09821       2.766222  779.5695 47.08636 665.4489 83.97853 114.1206       96.27834 
1 1 1 -5  12 17 o 377.9840 80.42889 1.420157       1.163094  0.6072887      1.217222  9.954997       3.944186  197.7434 79.47685 558.2246 139.8522 -360.4812      160.8578 
1 1 1 -5  12 18 o 491.9274 68.39227 6.449117       1.532307  8.939865       2.858792  5.445088       1.815059  546.9191 107.0790 436.9357 85.11228 109.9833       136.7845 
1 1 1 -5  12 19 o 204.1307 68.16410 -1.267241      1.436335  -0.3693497     3.174328  -1.498407      1.610652  249.3309 113.6812 158.9305 75.24608 90.40045       136.3282 
1 1 1 -5  12 20 o 308.0118 68.12740 2.916364       1.168350  2.480210       1.520852  3.544421       1.825017  284.0636 92.33481 331.9600 100.1981 -47.89642      136.2548 
1 1 1 -5  12 21 o 321.1500 68.91874 3.330034       1.195060  3.259351       1.504772  3.450761       1.966588  321.6839 89.25629 320.6160 105.0356 1.067841       137.8375 
1 1 1 -5  12 22 o 234.6012 72.19895 1.217209       1.441336  1.619448       1.557594  -1.179573      3.802122  236.2435 91.44137 232.9588 111.7552 3.284714       144.3979 
1 1 1 -5  13 1  o 1308.557 35.16713 43.55412       2.329766  43.66934       3.295366  43.43899       3.294207  1310.295 49.67651 1306.820 49.79109 3.474976       70.33426 
1 1 1 -5  13 2  o 1306.287 46.63372 44.91405       2.833431  47.18351       3.453350  40.23902       4.956457  1361.862 50.08689 1250.712 78.67731 111.1499       93.26744 
1 1 1 -5  13 3  o 1044.698 42.35583 27.97944       2.061099  27.65921       3.692418  28.12439       2.484126  1037.676 70.70685 1051.719 46.65412 -14.04333      84.71165 
1 1 1 -5  13 4  o 1205.567 34.06438 36.96097       2.079088  36.91582       2.944231  37.00587       2.936335  1204.822 48.26867 1206.312 48.07975 -1.490356      68.12875 
1 1 1 -5  13 5  f 1210.582 41.65511 37.43354       2.416949  37.54366       2.985312  37.22403       4.117716  1215.295 48.52039 1205.869 67.72269 9.426270       83.31021 
1 1 1 -5  13 6  o 847.4324 39.06890 17.58419       1.605194  15.74401       1.976964  21.14457       2.749900  785.4984 49.97276 909.3665 60.06861 -123.8682      78.13779 
1 1 1 -5  13 7  o 808.4457 46.20529 16.79025       1.871039  17.86740       2.635416  15.69555       2.656811  835.2027 62.78604 781.6887 67.80582 53.51404       92.41058 
1 1 1 -5  13 8  o 630.0862 47.92896 10.14809       1.517445  0.000000       0.000000  10.14809       1.517445  ?        ?        630.0862 47.92896 ?              ?        
1 1 1 -5  13 9  o 1641.802 38.31474 68.68082       3.183954  66.79620       4.493346  70.58138       4.512296  1619.055 54.81816 1664.549 53.54480 -45.49377      76.62948 
1 1 1 -5  13 10 o 838.6273 34.25095 17.97696       1.447732  18.44919       2.056205  17.51273       2.038713  849.6586 47.99754 827.5959 48.87482 22.06274       68.50191 
1 1 1 -5  13 11 o 510.9118 39.65834 6.806892       0.9960184 7.855161       1.401633  5.737572       1.415637  552.4304 50.68067 469.3932 61.01316 83.03720       79.31668 
1 1 1 -5  13 12 o 384.2243 57.20616 3.553996       1.014155  2.832849       1.206267  5.292776       1.873068  324.7087 74.90440 443.7400 86.48415 -119.0313      114.4123 
1 1 1 -5  13 13 o 921.9805 38.97146 21.76520       1.797322  23.10292       2.743445  20.75934       2.378941  945.9592 57.55859 898.0018 52.55575 47.95746       77.94292 
1 1 1 -5  13 14 o 337.5397 56.29415 3.165953       0.9398763 3.438215       1.227265  2.779790       1.461606  356.9500 70.41348 318.1293 87.85254 38.82077       112.5883 
1 1 1 -5  13 15 o 965.6969 35.18583 24.36497       1.678884  25.30956       2.189064  23.01577       2.616236  991.7517 43.59854 939.6421 55.23893 52.10962       70.37167 
1 1 1 -5  13 16 o 338.9041 57.63574 3.769907       1.061929  5.061273       1.281112  0.9342479      1.898407  435.3511 59.69714 242.4571 98.60915 192.8940       115.2715 
1 1 1 -5  13 17 o 264.6023 92.05293 1.864215       1.510978  1.864215       1.510978  0.000000       0.000000  264.6023 92.05293 ?        ?        ?              ?        
1 1 1 -5  13 18 o 315.9751 67.65100 3.013234       1.221089  2.014674       1.871511  3.753434       1.611313  274.8636 101.6048 357.0865 89.34814 -82.22293      135.3020 
1 1 1 -5  13 19 o 255.6771 95.80376 1.780596       1.675060  1.780596       1.675060  0.000000       0.000000  255.6771 95.80376 ?        ?        ?              ?        
1 1 1 -5  13 20 o 246.1002 93.23975 1.696949       1.596393  1.696949       1.596393  0.000000       0.000000  246.1002 93.23975 ?        ?        ?              ?        
1 1 1 -5  13 21 o 255.7137 73.47293 1.822710       1.478323  1.944378       2.256725  1.731253       1.956582  261.3497 107.0406 250.0776 100.6747 11.27214       146.9459 
1 1 1 -5  14 1  o 854.5909 39.53295 18.22751       1.652088  16.89581       2.069908  20.56478       2.742216  813.2921 50.52122 895.8897 60.81960 -82.59760      79.06590 
1 1 1 -5  14 2  o 1215.525 49.95555 37.92564       3.051912  38.31544       4.173253  37.47751       4.474599  1222.919 67.66837 1208.130 73.50661 14.78833       99.91111 
1 1 1 -5  14 3  o 1953.371 52.05335 97.85039       4.814916  96.74824       8.435574  98.38299       5.863995  1941.674 85.81332 1965.068 58.94301 -23.39441      104.1067 
1 1 1 -5  14 4  o 2634.538 60.93205 177.5394       7.683246  176.6536       9.431053  179.2876       13.24886  2630.245 70.82397 2638.831 99.17068 -8.585693      121.8641 
1 1 1 -5  14 5  o 2049.046 52.30081 106.8870       5.137195  106.1190       6.311296  108.3949       8.843369  2041.129 61.07515 2056.963 84.91953 -15.83459      104.6016 
1 1 1 -5  14 6  o 2072.285 52.11685 110.3961       5.149473  111.8136       6.324275  107.6077       8.870303  2095.410 59.61535 2049.161 85.50248 46.24878       104.2337 
1 1 1 -5  14 7  o 2020.038 59.74524 104.6669       6.109836  105.2616       8.619591  104.0665       8.661791  2025.946 84.03787 2014.130 84.94476 11.81677       119.4905 
1 1 1 -5  14 8  o 3007.453 67.70068 235.1885       9.669429  229.3197       16.76330  238.1148       11.83716  2968.194 111.5536 3046.712 76.74192 -78.51782      135.4014 
1 1 1 -5  14 9  o 1713.786 38.93725 74.97762       3.378304  75.49952       4.792315  74.46207       4.763106  1719.720 55.04324 1707.852 55.08792 11.86792       77.87450 
1 1 1 -5  14 10 o 2158.202 43.87008 119.4624       4.791098  115.0954       6.769032  123.8465       6.782258  2118.183 63.12181 2198.221 60.94237 -80.03760      87.74017 
1 1 1 -5  14 11 o 680.0994 35.55552 11.89307       1.214450  12.10880       1.692169  11.66393       1.743987  686.7548 48.99105 673.4440 51.54278 13.31073       71.11105 
1 1 1 -5  14 12 o 672.7000 45.25395 11.57863       1.434365  11.20290       1.746045  12.35846       2.515469  658.9352 52.78252 686.4648 73.52338 -27.52966      90.50790 
1 1 1 -5  14 13 o 304.2715 58.94668 1.848856       0.9797671 4.588707       1.760505  0.6195118      1.179263  409.1259 87.63596 199.4170 78.85926 209.7088       117.8934 
1 1 1 -5  14 14 f 1069.870 34.96616 29.49414       1.871562  29.19573       2.460106  29.90414       2.883640  1065.002 45.62675 1074.738 52.99744 -9.735352      69.93232 
1 1 1 -5  14 15 o 422.2004 49.38767 4.926200       0.9882265 5.264219       1.278070  4.423657       1.558372  445.1111 58.10163 399.2897 79.87971 45.82141       98.77534 
1 1 1 -5  14 16 o 331.7007 61.34461 3.193737       1.031012  3.409636       1.310418  2.842935       1.670380  348.8857 76.31355 314.5157 96.06711 34.36993       122.6892 
1 1 1 -5  14 17 o 432.2008 66.19978 5.119072       1.402385  5.119072       1.402385  0.000000       0.000000  432.2008 66.19978 ?        ?        ?              ?        
1 1 1 -5  14 18 o 533.2756 50.89399 7.632821       1.285141  6.835879       1.578127  9.201807       2.214309  498.4223 64.02039 568.1290 79.13396 -69.70670      101.7880 
1 1 1 -5  14 19 o 184.0334 56.80624 0.7272883E-01  1.023732  -0.6492746     1.556643  0.6229970      1.358960  170.4985 78.43349 197.5682 82.19480 -27.06970      113.6125 
1 1 1 -5  14 20 o 460.5593 67.45176 6.948224       1.520355  8.352291       2.085466  5.355504       2.221155  527.2527 80.69427 393.8659 108.1082 133.3868       134.9035 
1 1 1 -5  14 21 o 177.3839 54.74440 -0.5011659     1.064088  1.299984       1.456213  -2.564781      1.558706  221.2272 87.58469 133.5407 65.70175 87.68654       109.4888 
1 1 1 -5  15 1  o 2651.123 73.40971 181.7652       9.828186  169.2364       14.01410  193.8913       13.78699  2558.859 108.1771 2743.386 99.26561 -184.5278      146.8194 
1 1 1 -5  15 2  o 815.3576 48.06359 16.95574       1.975255  16.95574       1.975255  0.000000       0.000000  815.3576 48.06359 ?        ?        ?              ?        
1 1 1 -5  15 3  o 2428.614 67.21724 151.7370       8.260807  149.3230       11.80146  154.0561       11.56715  2408.979 96.76519 2448.249 93.32270 -39.26978      134.4345 
1 1 1 -5  15 4  o 1352.740 43.51067 47.70104       2.794010  49.86684       3.457591  43.62547       4.743063  1400.613 48.76091 1304.866 72.07694 95.74634       87.02133 
1 1 1 -5  15 5  o 2672.155 61.23444 181.6778       7.852151  178.3871       9.634662  188.1869       13.55045  2642.040 72.03000 2702.270 99.04698 -60.22974      122.4689 
1 1 1 -5  15 6  o 946.0914 34.11623 22.78886       1.630698  23.56307       2.326632  22.04131       2.286209  962.5659 47.74344 929.6169 48.74662 32.94897       68.23246 
1 1 1 -5  15 7  o 1877.913 57.46007 90.69601       5.459962  86.72074       7.668843  94.78246       7.775365  1835.724 82.51612 1920.102 79.98579 -84.37793      114.9201 
1 1 1 -5  15 8  o 559.5037 35.52819 8.089788       0.9880894 7.102966       1.407880  9.047684       1.387091  524.8217 53.74521 594.1858 46.48075 -69.36414      71.05637 
1 1 1 -5  15 9  o 720.2521 34.80958 13.32327       1.257415  13.01472       1.842107  13.59245       1.720611  711.9737 51.45187 728.5306 46.89917 -16.55688      69.61916 
1 1 1 -5  15 10 o 705.4685 34.70742 12.71693       1.227868  13.50594       1.828675  12.06916       1.656935  725.1843 50.11610 685.7527 48.02913 39.43158       69.41484 
1 1 1 -5  15 11 o 189.2991 50.37297 0.6053677      0.6808122 0.1246715      0.9494783 1.114051       0.9767277 162.7773 68.28742 215.8210 74.07141 -53.04376      100.7459 
1 1 1 -5  15 12 o 786.4543 36.37683 15.97974       1.436265  17.42385       2.041807  14.56529       2.020729  822.4280 49.26492 750.4806 53.53563 71.94745       72.75366 
1 1 1 -5  15 13 o 1197.154 43.50593 36.44212       2.497444  34.48370       3.049490  40.43116       4.352200  1155.147 52.14426 1239.162 69.65659 -84.01538      87.01186 
1 1 1 -5  15 14 o 1648.391 37.18665 70.81158       3.047339  71.61340       3.968157  69.65897       4.757661  1664.076 47.10122 1632.707 57.55746 31.36890       74.37329 
1 1 1 -5  15 15 o 785.8193 36.35883 16.16824       1.424014  16.08957       1.885037  16.27281       2.173308  785.4712 47.62803 786.1675 54.94934 -0.6963501     72.71767 
1 1 1 -5  15 16 o 467.4187 48.99364 6.042826       1.102606  6.272062       1.448939  5.727450       1.699504  482.3243 60.68034 452.5132 76.93767 29.81116       97.98729 
1 1 1 -5  15 17 o 482.0979 57.08638 6.994921       1.242600  7.848389       1.550355  5.461782       2.077917  539.5069 57.65373 424.6889 98.54677 114.8180       114.1728 
1 1 1 -5  15 18 o 380.3820 69.77514 4.440722       1.465762  2.275642       1.972299  7.111737       2.190655  278.1807 104.0117 482.5833 93.03676 -204.4027      139.5503 
1 1 1 -5  15 19 o 225.8421 67.36374 0.9353969      1.328217  0.4119510      1.838108  1.507373       1.921427  208.2667 91.24474 243.4176 99.12564 -35.15088      134.7275 
1 1 1 -5  15 20 o 248.8752 59.10543 1.136596       1.271748  3.905001       1.628571  -3.189875      2.035911  345.9299 91.55910 151.8205 74.77124 194.1095       118.2109 
1 1 1 -5  15 21 o 227.4159 66.45348 1.413377       1.262471  1.814427       1.630270  0.8125876      1.995357  239.8653 93.35321 214.9665 94.60146 24.89877       132.9070 
1 1 1 -5  16 1  o 847.3336 44.20903 18.41293       1.882495  17.97929       2.671273  18.84076       2.653319  837.1993 63.49681 857.4678 61.52975 -20.26855      88.41807 
1 1 1 -5  16 2  o 1405.097 51.02859 50.22800       3.629973  50.22800       3.629973  0.000000       0.000000  1405.097 51.02859 ?        ?        ?              ?        
1 1 1 -5  16 3  o 1415.591 51.67184 50.99526       3.703185  50.99526       3.703185  0.000000       0.000000  1415.591 51.67184 ?        ?        ?              ?        
1 1 1 -5  16 4  o 1849.666 49.50152 87.04949       4.401185  86.06458       5.417889  88.96053       7.546873  1837.292 58.24630 1862.041 80.05605 -24.74951      99.00304 
1 1 1 -5  16 5  o 1106.339 40.68222 30.56675       2.182997  28.86375       2.698848  33.78940       3.712593  1064.661 50.07069 1148.018 64.13345 -83.35767      81.36444 
1 1 1 -5  16 6  o 1770.111 48.76674 80.44199       4.126026  80.06592       7.107982  80.63311       5.067110  1763.186 79.62775 1777.036 56.32230 -13.84985      97.53348 
1 1 1 -5  16 7  o 707.7367 42.76345 14.20375       1.344641  9.399892       2.231666  16.94174       1.684808  599.5510 75.17513 815.9225 40.78663 -216.3715      85.52689 
1 1 1 -5  16 8  o 2033.973 42.58228 106.1819       4.380418  100.5995       6.188757  111.7863       6.200953  1979.682 61.74823 2088.265 58.65285 -108.5839      85.16455 
1 1 1 -5  16 9  o 540.2363 44.69395 6.846939       1.133788  5.278918       1.363303  10.36392       2.041745  449.1910 61.56851 631.2816 64.80366 -182.0905      89.38789 
1 1 1 -5  16 10 o 605.5630 37.08741 9.477035       1.124941  9.264533       1.608979  9.680249       1.573430  598.5909 53.66269 612.5352 51.20762 -13.94434      74.17483 
1 1 1 -5  16 11 o 322.1190 52.10537 2.839274       0.8378139 2.209181       1.202081  3.434488       1.168335  285.8944 79.93589 358.3435 66.85905 -72.44904      104.2107 
1 1 1 -5  16 12 o 277.6893 53.56055 2.107664       0.7786937 1.812847       1.119296  2.384195       1.084029  259.9543 78.47018 295.4244 72.92022 -35.47012      107.1211 
1 1 1 -5  16 13 o 685.6956 47.38866 12.89889       1.508791  13.77305       1.873041  11.28342       2.546247  726.9410 51.22133 644.4502 79.74407 82.49084       94.77733 
1 1 1 -5  16 14 o 302.4842 65.35674 2.633414       1.062745  2.142256       1.947708  2.841633       1.268161  287.1774 104.0432 317.7910 79.12666 -30.61365      130.7135 
1 1 1 -5  16 15 o 503.3271 47.73829 7.071372       1.147428  8.225286       1.553465  5.686050       1.702120  555.7498 55.97454 450.9045 77.34745 104.8452       95.47659 
1 1 1 -5  16 16 o 324.6901 61.00506 3.121952       1.017322  3.329493       1.330506  2.829837       1.578494  340.2368 78.79239 309.1433 93.15702 31.09354       122.0101 
1 1 1 -5  16 17 o 245.0872 67.63812 1.202707       1.242530  2.500514       1.924964  0.2757755      1.626827  289.1289 103.6029 201.0456 86.98338 88.08334       135.2762 
1 1 1 -5  16 18 o 196.5273 60.28122 0.3570414      1.108069  0.6018493      1.438632  -0.7470187E-05 1.737404  198.8746 83.77601 194.1800 86.69994 4.694641       120.5624 
1 1 1 -5  16 19 o 354.3269 70.68397 4.260632       1.327246  3.788461       1.835009  4.778649       1.922034  332.5275 100.4950 376.1263 99.42659 -43.59882      141.3679 
1 1 1 -5  16 20 o 385.1202 69.13086 5.289110       1.460028  7.346076       2.029542  3.082767       2.101943  479.5774 86.78513 290.6629 107.6320 188.9145       138.2617 
1 1 1 -5  17 1  o 1525.652 44.72844 58.38955       3.311913  63.33287       5.636759  55.78325       4.092909  1572.187 70.81767 1479.117 54.65702 93.07031       89.45687 
1 1 1 -5  17 2  o 824.8027 34.43690 17.38310       1.431526  17.23120       2.027326  17.53415       2.021653  821.1511 48.98907 828.4543 48.41147 -7.303162      68.87379 
1 1 1 -5  17 3  o 960.6091 40.97210 23.11864       1.915728  25.67339       3.216167  21.71373       2.385001  999.6839 63.88039 921.5343 51.32396 78.14960       81.94421 
1 1 1 -5  17 4  o 288.2504 61.77623 2.206260       0.8744073 0.000000       0.000000  2.206260       0.8744073 ?        ?        288.2504 61.77623 ?              ?        
1 1 1 -5  17 5  o 603.4961 40.89311 9.097157       1.203073  10.75647       1.987829  8.138055       1.511287  645.1025 61.61410 561.8897 53.78372 83.21277       81.78622 
1 1 1 -5  17 6  o 1311.567 43.15221 43.65969       2.738558  46.01719       4.638394  42.39814       3.393071  1335.228 68.85088 1287.906 52.03853 47.32129       86.30442 
1 1 1 -5  17 7  o 1522.882 46.24044 59.05222       3.335373  61.60903       5.914420  57.85989       4.038880  1542.389 75.74164 1503.375 53.06522 39.01343       92.48088 
1 1 1 -5  17 8  o 978.7015 35.09048 24.54530       1.735375  24.86811       2.445751  24.21799       2.462718  985.9449 48.99772 971.4580 50.24531 14.48694       70.18096 
1 1 1 -5  17 9  o 239.2697 59.71399 0.4463505      0.9193244 2.888923       1.760202  -0.4698581     1.078043  327.4504 98.30525 151.0890 67.81680 176.3614       119.4280 
1 1 1 -5  17 10 o 277.0695 58.97404 2.031196       0.9091017 1.548249       1.278265  2.525489       1.293193  249.5926 84.74660 304.5463 82.03513 -54.95370      117.9481 
1 1 1 -5  17 11 o 278.0880 66.16048 1.631776       1.070863  0.9219345      1.293825  3.175698       1.908128  218.0995 83.62487 338.0764 102.5462 -119.9768      132.3210 
1 1 1 -5  17 12 f 303.9795 58.43494 2.244336       0.9539571 4.095634       1.578130  1.178351       1.197512  383.1237 83.70271 224.8353 81.56241 158.2884       116.8699 
1 1 1 -5  17 13 o 480.7052 53.63010 6.622327       1.162967  7.189827       1.435933  5.540389       1.982679  521.1931 55.26219 440.2173 91.92844 80.97586       107.2602 
1 1 1 -5  17 14 o 342.4631 66.21501 3.140104       1.136381  4.609069       1.989901  2.429188       1.384314  393.5381 99.74612 291.3881 87.11155 102.1500       132.4300 
1 1 1 -5  17 15 o 306.4379 54.44341 2.689039       0.9456523 4.391910       1.331867  0.9578146      1.342910  397.3790 68.68692 215.4968 84.48933 181.8822       108.8868 
1 1 1 -5  17 16 o 267.0153 68.45518 2.071164       1.161264  2.462849       1.292441  0.4301266      2.645460  288.6525 83.61555 245.3781 108.4107 43.27432       136.9104 
1 1 1 -5  17 17 o 376.2162 69.88976 4.612212       1.358202  4.039770       1.985618  5.115552       1.861919  348.6550 104.3514 403.7773 93.00050 -55.12234      139.7795 
1 1 1 -5  17 18 o 431.6351 65.88831 6.198911       1.325806  6.519354       1.612726  5.530845       2.328602  472.1937 69.54419 391.0766 111.9316 81.11716       131.7766 
1 1 1 -5  17 19 o 365.1334 66.78270 4.818223       1.510607  7.589964       2.033741  1.407031       2.256173  490.6026 84.95776 239.6642 103.0626 250.9384       133.5654 
1 1 1 -5  17 20 o 157.9625 52.90614 -1.265245      1.187283  -0.7070715E-01 1.505877  -3.227737      1.930160  173.5092 78.79613 142.4158 70.62160 31.09344       105.8123 
1 1 1 -5  18 1  o 831.7018 40.42068 17.81762       1.645780  17.63218       2.641530  17.93527       2.104068  826.6254 63.60782 836.7782 49.89360 -10.15277      80.84136 
1 1 1 -5  18 2  o 549.8986 50.73075 7.786461       1.396411  0.000000       0.000000  7.786461       1.396411  ?        ?        549.8986 50.73075 ?              ?        
1 1 1 -5  18 3  o 407.5824 44.32825 4.309073       0.8802974 4.928594       1.329872  3.825917       1.174426  433.9683 62.31779 381.1966 63.05924 52.77170       88.65649 
1 1 1 -5  18 4  o 659.7292 40.57765 11.27589       1.315675  11.03866       2.057568  11.43997       1.711230  652.4553 63.07716 667.0031 51.06323 -14.54779      81.15530 
1 1 1 -5  18 5  o 213.3884 50.08564 1.120166       0.6376328 0.8838323      0.9390881 1.322322       0.8685367 200.7805 72.31832 225.9963 69.31339 -25.21571      100.1713 
1 1 1 -5  18 6  o 368.1102 66.52655 3.992208       1.187954  4.503518       1.383387  2.556298       2.318276  412.2782 68.69534 323.9421 113.9477 88.33609       133.0531 
1 1 1 -5  18 7  o 674.2404 44.19485 10.79798       1.351827  14.31779       2.658163  9.570083       1.570015  739.6044 71.89899 608.8763 51.41280 130.7280       88.38971 
1 1 1 -5  18 8  o 980.5242 41.73709 23.98999       1.978289  28.04058       3.405388  21.92669       2.430467  1038.625 65.09145 922.4236 52.25936 116.2012       83.47417 
1 1 1 -5  18 9  o 414.8049 47.49979 4.704391       0.9340780 3.974664       1.445414  5.227672       1.223996  382.7201 77.26039 446.8896 55.27887 -64.16956      94.99959 
1 1 1 -5  18 10 o 398.5141 50.13763 4.386013       0.9517096 3.769597       1.472406  4.828341       1.247277  369.9167 80.87646 427.1115 59.28006 -57.19479      100.2753 
1 1 1 -5  18 11 o 1253.993 47.10690 41.90998       2.780040  42.51435       3.394080  40.67791       4.846039  1278.818 52.42396 1229.169 78.28134 49.64893       94.21380 
1 1 1 -5  18 12 o 1017.859 46.72554 28.36172       2.240812  25.33259       3.778676  30.00478       2.782956  963.5900 78.13023 1072.127 51.27156 -108.5369      93.45109 
1 1 1 -5  18 13 o 941.8882 46.01262 24.23153       2.054384  25.09479       2.552600  22.64418       3.461367  976.3090 51.82868 907.4675 76.04230 68.84149       92.02523 
1 1 1 -5  18 14 o 226.1124 59.90787 -0.1901459     0.9886006 3.155459       1.884978  -1.459557      1.161101  323.0339 102.5768 129.1909 61.91779 193.8430       119.8157 
1 1 1 -5  18 15 o 324.2899 58.83037 3.207717       1.011619  4.150373       1.363984  2.055270       1.508145  381.3092 73.31877 267.2706 92.02396 114.0386       117.6607 
1 1 1 -5  18 16 o 253.6638 67.92714 1.839087       1.203911  2.309901       1.367226  0.2139571      2.540150  275.5825 87.34495 231.7452 104.0540 43.83734       135.8543 
1 1 1 -5  18 17 o 216.5625 62.62583 0.8350422      1.207065  -0.9118944     1.917219  1.982232       1.553641  179.8038 84.17696 253.3212 92.74814 -73.51741      125.2517 
1 1 1 -5  18 18 o 263.3123 62.31202 2.203940       1.089038  3.396954       1.484418  0.8133429      1.602632  320.5132 88.54555 206.1115 87.69743 114.4017       124.6240 
1 1 1 -5  18 19 o 403.6524 71.11491 6.315423       1.521535  7.555487       1.927519  4.265209       2.478427  488.5135 80.75784 318.7913 117.0790 169.7222       142.2298 
1 1 1 -5  19 1  o 686.0980 49.21466 11.83064       1.446772  11.40885       1.654523  13.20093       2.982150  665.9514 49.42604 706.2447 85.11990 -40.29333      98.42932 
1 1 1 -5  19 2  o 443.8098 57.89626 5.142821       1.269873  0.000000       0.000000  5.142821       1.269873  ?        ?        443.8098 57.89626 ?              ?        
1 1 1 -5  19 3  o 253.2973 46.14914 1.670710       0.6449450 0.7223520      0.8993678 2.674693       0.9253677 189.1389 70.33160 317.4557 59.76988 -128.3168      92.29829 
1 1 1 -5  19 4  o 203.9908 47.19357 0.9243416      0.6011928 0.3146910      0.8251973 1.613967       0.8776554 161.9824 65.32063 245.9992 68.13329 -84.01685      94.38713 
1 1 1 -5  19 5  o 805.5319 47.26519 16.40762       1.700159  15.82926       1.981096  18.02411       3.312017  784.2024 50.16202 826.8613 80.12344 -42.65894      94.53039 
1 1 1 -5  19 6  o 549.6050 58.67809 8.134673       1.341672  8.186050       1.542241  7.974785       2.720673  561.4474 54.96234 537.7625 103.6900 23.68488       117.3562 
1 1 1 -5  19 7  o 207.7023 61.04987 0.5313036      0.7714426 0.2484086      2.175796  0.5719799      0.8250418 239.9642 102.1441 175.4404 66.89491 64.52376       122.0997 
1 1 1 -5  19 8  o 208.4828 51.96173 1.006661       0.7295963 -0.6949411E-01 1.289774  1.513066       0.8847597 179.1284 77.47553 237.8373 69.26492 -58.70895      103.9235 
1 1 1 -5  19 9  o 263.6266 54.82721 1.928843       0.8204195 1.067568       1.280130  2.529182       1.068763  223.3964 83.74326 303.8568 70.78954 -80.46034      109.6544 
1 1 1 -5  19 10 o 340.4990 53.57208 3.097303       0.8936352 4.115954       1.411181  2.415339       1.154650  386.4489 74.83232 294.5491 76.68113 91.89981       107.1442 
1 1 1 -5  19 11 o 454.8214 67.94479 6.718735       1.407406  7.769202       1.675664  4.202879       2.593215  537.8931 62.71006 371.7497 120.5547 166.1435       135.8896 
1 1 1 -5  19 12 o 304.6462 59.12659 3.002589       1.078454  0.3193108      1.997155  4.107083       1.281329  223.9163 96.62798 385.3762 68.16781 -161.4599      118.2532 
1 1 1 -5  19 13 o 409.3600 58.72462 5.034622       1.139019  5.601172       1.445843  4.107846       1.849220  451.0051 65.21593 367.7150 97.67909 83.29007       117.4492 
1 1 1 -5  19 14 o 320.1789 68.66380 2.943525       1.096054  3.651009       2.192987  2.707950       1.265444  337.2762 110.9375 303.0816 80.94283 34.19452       137.3276 
1 1 1 -5  19 15 o 478.1920 49.63834 6.514604       1.162869  6.401160       1.584240  6.647130       1.712308  475.4081 67.73757 480.9759 72.57741 -5.567841      99.27668 
1 1 1 -5  19 16 o 390.3967 76.27939 5.111680       1.364707  4.929593       1.520952  5.863833       3.091215  404.2744 77.12572 376.5190 131.6275 27.75540       152.5588 
1 1 1 -5  19 17 o 217.6830 62.36852 1.198580       1.081915  0.7557181      1.522124  1.650798       1.538119  201.0690 85.50710 234.2970 90.81775 -33.22798      124.7370 
1 1 1 -5  19 18 o 259.8441 61.39439 2.255159       1.155687  3.619225       1.458433  -0.4687869E-01 1.894633  329.1687 86.41614 190.5196 87.23151 138.6491       122.7888 
1 1 1 -5  19 19 o 271.7601 71.82092 2.911093       1.331439  2.700175       1.869914  3.127993       1.896241  263.6803 100.6683 279.8398 102.4641 -16.15958      143.6418 
1 1 1 -5  20 1  o 875.9055 46.97907 19.41353       1.821528  18.77819       2.110968  21.26559       3.604157  854.2728 49.01425 897.5381 80.16069 -43.26538      93.95815 
1 1 1 -5  20 2  o 810.9462 53.78258 17.31291       1.874781  17.31715       3.743654  17.31149       2.165951  802.8464 93.87680 819.0461 52.51103 -16.19971      107.5652 
1 1 1 -5  20 3  o 487.7277 39.87650 6.255780       0.9547294 7.151793       1.340067  5.332166       1.360549  525.2221 51.04108 450.2333 61.28090 74.98877       79.75299 
1 1 1 -5  20 4  o 361.2160 46.49414 3.507476       0.8096266 3.636636       1.072389  3.336273       1.234650  370.8102 59.10834 351.6218 71.78458 19.18839       92.98829 
1 1 1 -5  20 5  o 240.3987 50.37846 1.522401       0.6953967 2.144323       0.9502044 0.8051615      1.020425  281.4339 67.54810 199.3635 74.76103 82.07033       100.7569 
1 1 1 -5  20 6  o 227.7032 59.34768 1.235684       0.8217246 1.576297       0.8817842 -1.012271      2.265297  242.1424 68.73186 213.2639 96.77046 28.87857       118.6954 
1 1 1 -5  20 7  o 387.4202 68.63829 4.858158       1.196885  2.434465       2.833312  5.384612       1.320491  323.6761 123.8345 451.1643 59.24415 -127.4882      137.2766 
1 1 1 -5  20 8  o 238.4876 56.94257 1.426689       0.8110995 1.751993       1.245091  1.186864       1.069062  256.5781 83.55246 220.3971 77.38741 36.18097       113.8851 
1 1 1 -5  20 9  o 532.9474 43.29591 7.621307       1.139191  6.998683       1.648929  8.189847       1.575685  509.8834 65.38372 556.0113 56.77246 -46.12787      86.59182 
1 1 1 -5  20 10 o 541.4374 42.27002 7.846656       1.129762  7.926729       1.711274  7.784795       1.504143  541.9851 63.57363 540.8896 55.72623 1.095520       84.54005 
1 1 1 -5  20 11 o 396.4362 64.13134 4.280499       1.186231  3.656113       1.420524  5.719077       2.156198  356.6454 80.57357 436.2271 99.79587 -79.58167      128.2627 
1 1 1 -5  20 12 o 294.9956 62.23584 2.750166       1.028549  1.397263       1.965243  3.260550       1.207067  251.7862 101.0610 338.2050 72.66270 -86.41884      124.4717 
1 1 1 -5  20 13 o 431.4222 58.50845 5.605336       1.183194  6.017615       1.492917  4.908989       1.940226  464.9390 65.21849 397.9054 97.15710 67.03354       117.0169 
1 1 1 -5  20 14 o 339.8711 57.34158 2.040654       1.172437  7.904342       2.154545  -0.4261794     1.397462  512.8450 86.02892 166.8971 75.83701 345.9479       114.6832 
1 1 1 -5  20 15 o 274.4926 61.31639 2.239947       1.048007  3.699215       1.524889  0.9336835      1.442733  340.3774 87.88352 208.6077 85.52945 131.7697       122.6328 
1 1 1 -5  20 16 o 280.7570 63.46141 2.586732       1.040577  1.862977       1.404704  3.466885       1.549060  241.8617 88.24546 319.6524 91.22578 -77.79071      126.9228 
1 1 1 -5  20 17 o 273.2936 64.27182 2.575190       1.137941  3.740433       1.567387  1.276433       1.654749  328.5026 91.07520 218.0846 90.71259 110.4181       128.5436 
1 1 1 -5  20 18 f 295.9638 64.00068 3.304188       1.225514  4.797485       1.617088  1.289289       1.878395  374.0630 87.02771 217.8646 93.86440 156.1984       128.0014 
1 1 1 -5  21 1  o 1228.078 51.83454 40.11174       2.904447  40.67625       3.464989  38.77796       5.326115  1254.274 54.56648 1201.883 88.14634 52.39063       103.6691 
1 1 1 -5  21 2  o 501.1442 43.21992 6.715958       1.053364  7.474820       1.428607  5.811870       1.559326  535.3365 53.42467 466.9519 67.95329 68.38455       86.43984 
1 1 1 -5  21 3  o 242.9938 48.45608 1.568077       0.6552970 0.8841892      0.9321313 2.236339       0.9214212 198.7366 71.98026 287.2509 64.89075 -88.51427      96.91216 
1 1 1 -5  21 4  o 409.1998 45.67140 4.535535       0.9006383 5.332959       1.255276  3.689529       1.292949  449.9887 56.33490 368.4109 71.90192 81.57773       91.34280 
1 1 1 -5  21 5  o 803.4063 37.54539 16.81336       1.517812  17.53061       2.163948  16.11876       2.129488  820.6512 52.35706 786.1613 53.82718 34.48999       75.09079 
1 1 1 -5  21 6  o 617.7673 67.82477 12.17136       1.663041  13.77928       1.948375  7.855770       3.191983  725.6720 53.40863 509.8626 124.6929 215.8094       135.6495 
1 1 1 -5  21 7  o 328.6375 53.79475 3.092299       0.9013827 4.133210       1.247412  1.954869       1.303963  390.0838 65.48436 267.1911 85.36569 122.8927       107.5895 
1 1 1 -5  21 8  o 234.0004 53.87574 1.368570       0.8155417 0.2804356      1.204418  2.289911       1.108272  182.8516 76.82019 285.1493 75.55819 -102.2977      107.7515 
1 1 1 -5  21 9  o 180.6208 50.52649 0.2282256      0.7928209 -1.179012      1.212819  1.278291       1.047661  139.4998 65.81826 221.7419 76.67895 -82.24213      101.0530 
1 1 1 -5  21 10 o 337.5530 55.91821 3.308368       0.9331197 3.156695       1.424564  3.422347       1.234921  327.7356 85.10194 347.3703 72.56063 -19.63470      111.8364 
1 1 1 -5  21 11 o 505.1476 46.92962 7.070445       1.164906  7.204609       1.741973  6.961911       1.566772  507.3436 69.65804 502.9517 62.90718 4.391907       93.85923 
1 1 1 -5  21 12 o 258.1191 61.43472 1.871820       0.9638473 2.563921       1.442246  1.313243       1.295676  290.4027 89.36069 225.8354 84.33009 64.56734       122.8694 
1 1 1 -5  21 13 o 655.9646 49.70196 12.35690       1.585505  12.75481       2.069841  11.79191       2.466420  677.8903 60.96263 634.0389 78.51558 43.85144       99.40392 
1 1 1 -5  21 14 o 507.7663 60.52829 7.493156       1.385278  9.458880       2.590625  6.706022       1.639334  536.5436 99.01880 478.9890 69.64173 57.55453       121.0566 
1 1 1 -5  21 15 o 282.8959 60.05944 2.662796       1.052083  4.032053       1.441452  1.101774       1.539083  353.9839 82.03619 211.8079 87.74171 142.1759       120.1189 
1 1 1 -5  21 16 o 176.1326 56.71960 -0.8707555E-01 1.093297  0.3920650      1.708119  -0.4195912     1.422960  192.0273 85.83598 160.2378 74.16628 31.78949       113.4392 
1 1 1 -5  21 17 o 181.6727 56.33276 0.3563977      1.040217  1.097123       1.372100  -0.6447204     1.595144  201.6229 83.12371 161.7225 76.05241 39.90039       112.6655 
1 1 1 -5  21 18 o 325.1301 74.88432 5.098359       1.561762  3.689442       2.777524  5.749759       1.888597  265.0853 114.1744 385.1748 96.92702 -120.0895      149.7686 
1 1 1 -5  22 1  o 260.6780 63.68022 1.833133       0.9110911 0.1983987      2.436796  2.098795       0.9823366 245.3323 106.3005 276.0238 70.14907 -30.69151      127.3604 
1 1 1 -5  22 2  o 568.0864 38.96545 8.488880       1.104930  8.388521       1.518352  8.601858       1.610973  565.0207 53.72585 571.1522 56.45137 -6.131470      77.93089 
1 1 1 -5  22 3  o 1294.906 49.84517 44.11267       3.020653  46.60402       5.433409  42.99823       3.633992  1307.898 82.47931 1281.914 55.99401 25.98438       99.69035 
1 1 1 -5  22 4  o 653.0149 39.01305 11.21941       1.276298  10.60086       1.761902  11.90234       1.851333  633.8619 55.46212 672.1679 54.88194 -38.30597      78.02611 
1 1 1 -5  22 5  o 271.3319 52.81779 2.050186       0.7751679 2.733283       1.092957  1.358787       1.099579  313.4138 70.57923 229.2500 78.59673 84.16371       105.6356 
1 1 1 -5  22 6  o 393.0293 70.43223 4.268176       1.129030  5.025504       2.802728  4.121476       1.233544  398.0746 124.9160 387.9840 65.10594 10.09055       140.8645 
1 1 1 -5  22 7  o 515.2374 42.64109 7.157873       1.075644  5.843908       1.481945  8.620864       1.563728  462.1473 65.14594 568.3276 55.03688 -106.1803      85.28219 
1 1 1 -5  22 8  o 228.3477 53.51390 1.341799       0.8056709 0.2330372      1.223544  2.190552       1.070511  180.1795 76.64431 276.5159 74.70342 -96.33640      107.0278 
1 1 1 -5  22 9  o 839.8571 38.94450 18.89455       1.643038  19.49182       2.419375  18.38330       2.238379  850.9683 56.47816 828.7457 53.63688 22.22260       77.88901 
1 1 1 -5  22 10 o 187.3296 57.01863 0.2329675      0.9878509 -2.217427      2.144605  0.8928893      1.112950  174.6135 83.80988 200.0458 77.33305 -25.43227      114.0373 
1 1 1 -5  22 11 f 222.8198 61.91013 1.188926       1.049574  -0.9782818     2.308738  1.753503       1.178382  200.4146 93.34418 245.2250 81.35306 -44.81041      123.8203 
1 1 1 -5  22 12 o 485.8015 61.76153 7.316593       1.434037  7.633514       1.875201  6.870173       2.225584  510.1755 74.82501 461.4275 98.28104 48.74805       123.5231 
1 1 1 -5  22 13 o 302.3629 64.55344 3.048131       1.083465  2.623225       1.597979  3.409670       1.474018  280.5424 94.75640 324.1833 87.69157 -43.64081      129.1069 
1 1 1 -5  22 14 o 249.3209 66.95754 2.108835       1.185202  1.587598       1.901691  2.439881       1.515538  233.0494 97.11739 265.5924 92.20336 -32.54298      133.9151 
1 1 1 -5  22 15 o 411.5620 80.52658 6.841413       1.741014  5.653207       2.318618  8.377372       2.636168  367.3180 113.3486 455.8059 114.4125 -88.48792      161.0532 
1 1 1 -5  22 16 o 282.1125 91.33142 2.948141       1.488845  0.000000       0.000000  2.948141       1.488845  ?        ?        282.1125 91.33142 ?              ?        
1 1 1 -5  22 17 o 208.6017 62.83888 0.7885199      1.153013  -0.3728868     1.419158  3.043978       1.977680  155.3267 72.62376 261.8766 102.5704 -106.5499      125.6778 
1 1 1 -5  23 1  o 442.1614 85.81373 6.486916       2.157048  8.753814       2.848720  3.440554       3.302360  539.1138 108.1346 345.2090 133.2775 193.9048       171.6275 
1 1 1 -5  23 2  o 480.2465 70.80903 7.859069       1.370522  8.588293       1.533992  4.974232       3.051077  568.4667 53.94709 392.0264 130.9404 176.4403       141.6181 
1 1 1 -5  23 3  o 300.8806 71.41184 2.477388       1.082362  2.529903       2.663388  2.467000       1.184590  308.0425 119.4779 293.7187 78.25362 14.32382       142.8237 
1 1 1 -5  23 4  o 262.9090 73.97125 1.095119       1.043937  3.070559       2.958923  0.8142676      1.115680  326.4807 126.1263 199.3373 77.32494 127.1434       147.9425 
1 1 1 -5  23 5  o 270.7719 74.90952 2.097845       1.061550  2.097845       1.061550  0.000000       0.000000  270.7719 74.90952 ?        ?        ?              ?        
1 1 1 -5  23 6  o 249.0853 70.02609 1.415877       1.024197  0.8043158      2.981695  1.497687       1.090553  264.9044 116.1318 233.2662 78.28168 31.63820       140.0522 
1 1 1 -5  23 7  o 334.8347 59.36479 3.318222       1.008878  2.810870       1.384665  3.892341       1.472961  306.3977 85.83580 363.2716 82.03005 -56.87393      118.7296 
1 1 1 -5  23 8  o 751.2188 41.09198 15.29939       1.546365  16.79814       2.279572  14.02181       2.104666  785.6360 57.71639 716.8016 58.50660 68.83435       82.18397 
1 1 1 -5  23 9  o 449.5084 51.95273 5.851822       1.133970  5.762033       1.691897  5.925053       1.527957  442.5737 78.37876 456.4430 68.21375 -13.86929      103.9055 
1 1 1 -5  23 10 o 349.8402 66.51630 3.942954       1.178082  4.004086       1.463831  3.830566       1.984789  362.8983 81.65002 336.7821 105.0283 26.11612       133.0326 
1 1 1 -5  23 11 o 276.3011 70.92061 2.487062       1.236083  2.212623       2.349897  2.592045       1.453403  268.8851 109.5737 283.7170 90.06968 -14.83194      141.8412 
1 1 1 -5  23 12 o 228.6246 62.31066 1.021754       1.104344  -0.3050363     1.434641  2.951265       1.730078  166.8964 76.22314 290.3528 98.59263 -123.4565      124.6213 
1 1 1 -5  23 13 o 188.6281 60.20209 0.2198476      1.154305  0.6328521      1.994884  0.1196509E-01  1.415303  206.4592 92.49026 170.7968 77.08904 35.66240       120.4042 
1 1 1 -5  23 14 o 200.9901 63.32778 0.6396424      1.237408  1.537268       2.113337  0.1713568      1.526428  225.3835 98.31368 176.5968 79.85017 48.78679       126.6556 
1 1 1 -5  23 15 o 255.5823 89.95054 2.442151       1.444834  2.442151       1.444834  0.000000       0.000000  255.5823 89.95054 ?        ?        ?              ?        
1 1 1 -5  23 16 o 167.3848 54.98196 -0.5464275     1.231960  -2.974905      1.984551  0.9761621      1.571400  140.9935 70.19547 193.7762 84.64433 -52.78275      109.9639 
1 1 1 -5  24 1  o 354.3644 70.71924 3.220666       1.072854  5.336078       2.601747  2.787266       1.177639  398.9453 119.4596 309.7835 75.72487 89.16174       141.4385 
1 1 1 -5  24 2  o 171.9505 48.05344 0.4733495      0.6076025 0.2290803      0.7699497 0.8765813      0.9892485 148.9536 61.91078 194.9475 73.50909 -45.99388      96.10687 
1 1 1 -5  24 3  o 225.6227 52.56562 1.432860       0.7166574 1.770092       0.9187575 0.9088266      1.145289  248.5689 70.01939 202.6765 78.42104 45.89249       105.1312 
1 1 1 -5  24 4  o 540.1570 61.29207 8.032213       1.646457  8.032213       1.646457  0.000000       0.000000  540.1570 61.29207 ?        ?        ?              ?        
1 1 1 -5  24 5  o 328.2593 72.72365 2.009130       0.9957097 1.362763       1.063516  6.598720       2.833942  222.6687 77.24233 433.8499 123.2418 -211.1811      145.4473 
1 1 1 -5  24 6  o 267.2036 75.91586 0.9243718      1.145571  4.604692       3.107285  0.3454581      1.232381  352.9700 130.8326 181.4373 77.04352 171.5327       151.8317 
1 1 1 -5  24 7  o 221.3578 58.22278 1.302826       0.8800084 1.546131       1.184691  1.003309       1.314436  232.6969 81.47857 210.0187 83.19142 22.67818       116.4456 
1 1 1 -5  24 8  o 373.2075 59.01190 4.282989       1.088872  3.830563       1.526106  4.752146       1.554069  349.9747 86.60269 396.4404 80.18473 -46.46567      118.0238 
1 1 1 -5  24 9  o 227.5482 58.77504 1.281207       0.9486491 0.2934116      1.297645  2.415151       1.390331  179.8288 77.74509 275.2676 88.16872 -95.43875      117.5501 
1 1 1 -5  24 10 o 203.1440 63.64388 0.2455746      1.293270  -0.4569975     1.700372  1.209775       1.991966  177.0122 81.62867 229.2757 97.66747 -52.26350      127.2878 
1 1 1 -5  24 11 o 321.9785 86.72084 3.478983       1.445241  0.000000       0.000000  3.478983       1.445241  ?        ?        321.9785 86.72084 ?              ?        
1 1 1 -5  24 12 o 361.3893 70.18684 4.976207       1.320333  5.118185       1.688112  4.752510       2.118949  384.2760 88.58566 338.5027 108.8915 45.77332       140.3737 
1 1 1 -5  24 13 o 191.1773 61.19246 0.4617565      1.283088  1.024083       1.815653  -0.9921771E-01 1.813469  204.1606 90.02612 178.1939 82.90578 25.96674       122.3849 
1 1 1 -5  24 14 o 213.4834 61.60585 1.461533       1.094751  0.6425201      1.563668  2.248946       1.533205  185.8007 82.65483 241.1660 91.37450 -55.36530      123.2117 
1 1 1 -5  24 15 o 222.3933 63.01516 1.908700       1.262917  2.864791       1.482797  -0.6171501     2.410105  264.9611 91.24627 179.8256 86.93537 85.13542       126.0303 
1 1 1 -5  25 1  o 441.2609 44.02770 5.421529       0.9515552 4.948390       1.272073  6.022624       1.433801  419.6928 61.71083 462.8289 62.81342 -43.13608      88.05540 
1 1 1 -5  25 2  o 329.9454 49.71464 3.074005       0.8079605 2.117688       1.058422  4.409495       1.250772  266.3553 75.19652 393.5355 65.05125 -127.1802      99.42928 
1 1 1 -5  25 3  o 314.1850 55.65490 2.930810       0.8673273 2.692285       1.109122  3.306274       1.391542  300.8507 73.45700 327.5193 83.62978 -26.66855      111.3098 
1 1 1 -5  25 4  o 370.2962 52.63457 4.048170       0.9513205 3.660230       1.300188  4.495144       1.395616  349.9780 75.59126 390.6144 73.26360 -40.63641      105.2691 
1 1 1 -5  25 5  o 232.1657 68.16782 1.187727       0.9694977 1.177821       1.027984  1.267423       2.915848  208.0837 75.55615 256.2477 113.4842 -48.16400      136.3356 
1 1 1 -5  25 6  o 272.2717 75.53730 2.274041       1.392164  2.601800       2.804492  2.166866       1.603707  282.7202 117.8875 261.8232 94.47786 20.89700       151.0746 
1 1 1 -5  25 7  o 236.5329 69.11707 1.327803       1.167544  1.124158       1.323597  2.041887       2.478529  210.9926 83.51134 262.0732 110.1569 -51.08057      138.2341 
1 1 1 -5  25 8  o 440.8974 76.79152 5.961107       1.651805  0.000000       0.000000  5.961107       1.651805  ?        ?        440.8974 76.79152 ?              ?        
1 1 1 -5  25 9  o 399.2284 83.80529 6.315069       1.782533  7.601975       2.865070  5.502332       2.276862  423.2334 125.0409 375.2233 111.6157 48.01007       167.6106 
1 1 1 -5  25 10 o 132.5614 64.85336 -1.942818      1.453423  -1.942818      1.453423  0.000000       0.000000  132.5614 64.85336 ?        ?        ?              ?        
1 1 1 -5  25 11 o 296.9148 65.04247 3.338841       1.076729  3.348945       1.603461  3.330543       1.453071  293.4167 94.75990 300.4129 89.12157 -6.996216      130.0849 
1 1 1 -5  25 12 o 311.6591 70.13200 4.166400       1.279886  4.543309       1.653880  3.603685       2.020833  343.7536 92.84689 279.5646 105.1354 64.18906       140.2640 
1 1 1 -5  25 13 o 244.9573 66.65742 2.562347       1.285798  1.148883       2.067057  3.454462       1.642179  203.7213 92.43997 286.1934 96.06091 -82.47215      133.3148 
1 1 1 -5  25 14 o 182.1503 56.26213 0.3334159      1.087297  -1.384332      1.518033  2.143015       1.558090  137.6337 67.10554 226.6669 90.32473 -89.03313      112.5243 
1 1 1 -5  25 15 f 189.2806 58.87416 1.277478       1.086268  1.227550       1.444717  1.342416       1.647636  187.1097 81.46127 191.4515 85.02194 -4.341766      117.7483 
1 1 1 -5  26 1  o 173.4096 49.52344 0.5956428      0.6450214 0.5893962      0.7910157 0.6080392      1.114316  165.3428 64.83906 181.4765 74.87444 -16.13371      99.04688 
1 1 1 -5  26 2  o 278.6144 53.44176 2.267841       0.8002760 1.399124       1.043535  3.508271       1.246964  218.2554 76.46785 338.9734 74.67768 -120.7180      106.8835 
1 1 1 -5  26 3  f 215.0449 40.25676 0.1166074      0.6426355 -1.621862      0.7968608 3.350537       1.086836  93.09324 46.02165 336.9966 66.06387 -243.9033      80.51352 
1 1 1 -5  26 4  o 338.4669 57.92949 3.650517       0.9729878 3.670867       1.271545  3.621769       1.511341  345.6440 74.83289 331.2897 88.44965 14.35437       115.8590 
1 1 1 -5  26 5  o 451.4645 57.36785 6.402608       1.262409  6.585351       1.820729  6.233423       1.751892  457.2241 81.65200 445.7050 80.60541 11.51913       114.7357 
1 1 1 -5  26 6  o 230.3153 58.37094 1.351050       0.9228160 0.3368355      1.193969  2.855814       1.454328  172.0885 74.48651 288.5421 89.89120 -116.4536      116.7419 
1 1 1 -5  26 7  o 317.0375 70.03810 3.720560       1.225682  3.658891       1.524198  3.833421       2.061954  324.5175 89.75381 309.5574 107.5435 14.96014       140.0762 
1 1 1 -5  26 8  o 189.5842 56.64743 0.6535139      0.9832082 1.491935       1.368893  -0.2399257     1.413093  217.0611 85.24034 162.1073 74.63116 54.95378       113.2949 
1 1 1 -5  26 9  o 277.1400 68.92896 3.279588       1.324699  4.092537       1.661170  1.859617       2.195442  325.6123 94.93250 228.6677 99.96313 96.94464       137.8579 
1 1 1 -5  26 10 o 362.1544 73.77484 5.844768       1.448220  6.036359       1.774356  5.462432       2.506539  404.7884 89.00546 319.5204 117.6815 85.26797       147.5497 
1 1 1 -5  26 11 o 199.2047 64.46935 0.9301348      1.549767  -1.039155      2.694937  1.903162       1.894332  179.6741 87.98875 218.7353 94.25056 -39.06122      128.9387 
1 1 1 -5  26 12 o 165.5816 56.82227 -0.8828299     1.470393  -0.4445350     2.234325  -1.217659      1.952876  174.6717 84.25964 156.4916 76.25873 18.18011       113.6445 
1 1 1 -5  26 13 o 187.2115 59.94766 0.9245697      1.268193  -0.9826604E-01 1.911183  1.729262       1.695174  168.5137 80.40253 205.9092 88.93999 -37.39557      119.8953 
1 1 1 -5  26 14 o 193.7712 59.09049 1.265984       1.151321  -0.3066539     1.616341  2.885694       1.640353  151.7621 72.81990 235.7803 93.08065 -84.01813      118.1810 
1 1 1 -5  27 1  o 230.1061 56.31718 1.710741       0.7974446 1.776079       1.045155  1.619709       1.233656  234.9515 76.55266 225.2607 82.62077 9.690811       112.6344 
1 1 1 -5  27 2  o 186.4417 48.42987 0.4028112      0.6790119 -0.5854177     0.8533329 2.108525       1.121096  119.8596 56.12784 253.0239 78.93970 -133.1643      96.85975 
1 1 1 -5  27 3  o 183.4340 50.53517 0.7401172      0.7560748 1.510838       0.9934600 -0.3207246     1.165540  218.6345 74.70909 148.2336 68.07175 70.40092       101.0703 
1 1 1 -5  27 4  o 170.5241 69.31338 0.6523588      0.9372841 0.6523588      0.9372841 0.000000       0.000000  170.5241 69.31338 ?        ?        ?              ?        
1 1 1 -5  27 5  o 240.1651 74.75198 0.6332107      1.449041  5.732002       3.202183  -0.6797282     1.624931  318.9737 128.6588 161.3565 76.14693 157.6171       149.5040 
1 1 1 -5  27 6  o 188.8017 55.70164 0.7431831      0.8502573 0.2702352      1.045436  1.667272       1.461328  157.1837 68.84010 220.4197 87.58842 -63.23602      111.4033 
1 1 1 -5  27 7  o 237.6774 64.54301 2.211130       1.089651  2.166239       1.487478  2.263118       1.600746  236.6063 89.91621 238.7485 92.61898 -2.142197      129.0860 
1 1 1 -5  27 8  o 244.1493 63.15013 2.382788       1.117710  3.514268       1.540942  1.126568       1.623663  292.5806 92.72750 195.7179 85.75177 96.86272       126.3003 
1 1 1 -5  27 9  o 151.6604 49.84031 -0.7717513     1.075724  0.8798016      1.294233  -4.462250      1.934678  179.9405 77.71829 123.3803 62.41870 56.56023       99.68063 
1 1 1 -5  27 10 o 208.0205 65.88950 1.696779       1.316489  1.637919       3.126234  1.709467       1.451461  208.0829 100.2033 207.9582 85.58621 0.1247253      131.7790 
1 1 1 -5  27 11 o 187.9229 60.82600 1.048026       1.271288  1.165004       1.531124  0.7883907      2.281073  187.8724 82.76659 187.9734 89.15661 -0.1009827     121.6520 
1 1 1 -5  27 12 o 156.4533 52.46442 -0.2634336     1.194171  0.7772573      1.414636  -2.843753      2.227514  171.4591 77.25862 141.4475 71.00118 30.01167       104.9288 
1 1 1 -5  27 13 o 214.2210 68.79591 3.300263       1.742253  4.230660       2.212779  1.782665       2.826066  240.8850 102.7835 187.5571 91.47159 53.32784       137.5918 
1 1 1 -5  28 1  o 193.7099 54.51493 1.092941       0.7635033 0.8715013      0.9341272 1.538590       1.325182  176.3721 70.04650 211.0478 83.55238 -34.67570      109.0299 
1 1 1 -5  28 2  o 213.0444 53.19926 1.568948       0.8420946 2.352382       1.037313  0.5475353E-01  1.442114  261.0504 74.70351 165.0385 75.76299 96.01184       106.3985 
1 1 1 -5  28 3  o 171.4586 50.80513 0.7053141      0.7590500 1.015317       0.9626918 0.1958997      1.234071  182.9734 71.59128 159.9438 72.10641 23.02959       101.6103 
1 1 1 -5  28 4  o 276.8042 75.07675 2.836765       1.090464  2.382053       1.154430  6.602196       3.322056  253.5087 80.25103 300.0997 126.9088 -46.59108      150.1535 
1 1 1 -5  28 5  o 200.3905 64.09747 1.171828       1.145307  1.869782       2.906488  1.043530       1.246134  215.4404 101.7218 185.3406 78.01678 30.09982       128.1949 
1 1 1 -5  28 6  o 181.4164 53.96236 0.9507704      0.8653957 1.499750       1.219319  0.3935466      1.228441  201.4519 80.02139 161.3810 72.41770 40.07094       107.9247 
1 1 1 -5  28 7  o 139.7975 47.58179 -0.7962029     0.9951558 -0.4346580     1.291142  -1.325306      1.561936  141.7490 67.18674 137.8460 67.39471 3.903015       95.16357 
1 1 1 -5  28 8  o 286.4868 66.07421 3.830871       1.196958  2.451929       1.678980  5.256014       1.706874  225.5514 92.34732 347.4222 94.52608 -121.8708      132.1484 
1 1 1 -5  28 9  o 149.3802 51.21965 -0.6262271     1.082736  -0.8982733     1.296761  0.9566444E-05  1.967469  131.3681 63.57398 167.3922 80.32533 -36.02411      102.4393 
1 1 1 -5  28 10 o 186.5940 87.99452 -1.577344      1.752993  -6.970690      2.992765  1.239555       2.162863  ?        ?        186.5940 87.99452 ?              ?        
1 1 1 -5  28 11 o 163.7138 55.60586 0.3384888      1.278381  0.2056916      1.559113  0.6109358      2.233184  155.6634 73.79608 171.7642 83.19968 -16.10078      111.2117 
1 1 1 -5  29 1  o 150.7579 46.50634 0.3959024      0.7050254 0.8354999      0.8541601 -0.5437952     1.248837  165.2480 66.52047 136.2678 65.01066 28.98013       93.01268 
1 1 1 -5  29 2  o 200.5956 56.22851 1.605374       0.8569515 1.747355       1.093339  1.379213       1.379904  210.1573 77.66487 191.0339 81.33110 19.12341       112.4570 
1 1 1 -5  29 3  o 221.5536 57.82389 2.118702       0.8968983 2.477877       1.151778  1.565372       1.429578  246.7036 80.36175 196.4035 83.16489 50.30009       115.6478 
1 1 1 -5  29 4  o 252.8756 113.1112 5.434733       2.971467  5.434733       2.971467  0.000000       0.000000  252.8756 113.1112 ?        ?        ?              ?        
1 1 1 -5  29 5  o 162.2457 55.64155 0.4351961E-01  1.193923  -1.698349      3.386026  0.2908322      1.275868  170.1877 85.69692 154.3037 70.99271 15.88399       111.2831 
1 1 1 -5  29 6  o 203.9167 56.24744 1.376481       0.9781764 -0.2999800     1.334167  3.325146       1.438408  142.0908 67.62436 265.7425 89.90019 -123.6517      112.4949 
1 1 1 -5  29 7  o 205.3388 59.88654 1.968484       1.010481  1.819504       1.444669  2.111185       1.413899  199.6400 84.01719 211.0377 85.36220 -11.39767      119.7731 
1 1 1 -5  29 8  o 150.3561 50.03757 -0.6757945     0.9894323 -2.325155      1.285044  1.725714       1.550609  108.2271 54.27116 192.4851 84.08136 -84.25793      100.0751 
1 1 1 -5  29 9  o 160.0037 75.05466 0.5758547      1.537038  0.5758547      1.537038  0.000000       0.000000  160.0037 75.05466 ?        ?        ?              ?        
1 1 1 -5  29 10 o 195.4381 66.82463 3.821867       2.156345  1.912901       3.774493  4.746780       2.627301  175.1154 88.45864 215.7608 100.1858 -40.64542      133.6493 
1 1 1 -5  30 1  f 186.1680 55.40648 1.372326       0.8712995 0.8198668      1.108315  2.266202       1.409781  161.3360 70.76375 210.9999 85.27604 -49.66396      110.8130 
1 1 1 -5  30 2  o 158.0362 49.06136 0.7153359      0.7957454 1.124682       0.9423587 -0.3018258     1.485477  172.8439 69.76761 143.2285 68.99673 29.61542       98.12272 
1 1 1 -5  30 3  o 200.7177 54.96373 1.407282       0.8665146 0.1744539      1.109645  3.333891       1.387169  141.5200 65.49967 259.9153 88.28274 -118.3953      109.9275 
1 1 1 -5  30 4  o 175.0067 51.94623 1.064689       0.9014462 2.062216       1.153250  -0.5020409     1.445301  211.8809 79.47344 138.1324 66.91499 73.74846       103.8925 
1 1 1 -5  30 5  o 134.4104 44.47160 -0.1594862     0.8041875 0.5626584      1.007897  -1.424655      1.334069  149.1642 66.35810 119.6565 59.22410 29.50768       88.94319 
1 1 1 -5  30 6  o 117.4537 40.77369 -1.106234      0.8420868 -1.676434      1.238918  -0.6166120     1.148048  111.4211 55.47086 123.4863 59.77424 -12.06519      81.54739 
1 1 1 -5  30 7  o 224.9629 61.73754 2.902446       1.089103  4.183191       1.557594  1.677281       1.523422  270.1685 93.49194 179.7573 80.65577 90.41119       123.4751 
1 1 1 -5  30 8  o 123.6839 43.53737 -1.327936      1.085579  -0.8134063     1.440300  -2.004694      1.651825  127.0634 62.63878 120.3044 60.48466 6.759018       87.07474 
1 1 1 -5  31 1  o 139.5283 63.64621 0.4385750      0.9964260 0.4385750      0.9964260 0.000000       0.000000  139.5283 63.64621 ?        ?        ?              ?        
1 1 1 -5  31 2  o 97.93315 35.10704 -1.690488      0.6669003 -1.752525      0.7723252 -1.508644      1.322286  81.63618 41.08400 114.2301 56.93963 -32.59393      70.21407 
1 1 1 -5  31 3  o 110.7098 53.57518 -0.5581148     0.9207798 -0.5581148     0.9207798 0.000000       0.000000  110.7098 53.57518 ?        ?        ?              ?        
1 1 1 -5  31 4  o 147.5920 52.02760 0.1349716E-01  1.455142  0.2554051      2.814075  -0.7479348E-01 1.700074  154.0980 77.66196 141.0860 69.25391 13.01207       104.0552 
1 1 1 -5  31 5  o 153.3012 48.99671 0.5992056      0.9421807 2.091893       1.235876  -1.472230      1.455882  189.6236 78.59457 116.9788 58.52866 72.64472       97.99342 
1 1 1 -5  31 6  o 135.3292 46.97613 -0.7466739E-02 1.110743  0.2708392      1.514749  -0.3311725     1.633634  138.4733 67.40894 132.1852 65.44511 6.288116       93.95226 
1 1 1 -4  0  1  o 5340.029 85.74316 723.1977       32.74431  723.1977       32.74431  723.1977       32.74431  5340.029 121.2591 5340.029 121.2591 -0.000000      0.000000 
1 1 1 -4  0  2  o 3597.669 86.96709 328.9213       22.34204  328.9213       22.34204  328.9213       22.34204  3597.669 122.9900 3597.669 122.9900 0.000000       0.000000 
1 1 1 -4  0  3  o 350.4081 32.63489 3.266428       0.7792956 3.266428       0.7792956 3.266428       0.7792956 350.4081 46.15271 350.4081 46.15271 0.000000       0.000000 
1 1 1 -4  0  4  o 3228.787 80.02631 265.1346       18.44843  265.1346       18.44843  265.1346       18.44843  3228.787 113.1743 3228.787 113.1743 0.000000       0.000000 
1 1 1 -4  0  5  o 1144.168 33.30339 33.33505       2.717696  33.33505       2.717696  33.33505       2.717696  1144.168 47.09811 1144.168 47.09811 -0.000000      0.000000 
1 1 1 -4  0  6  o ?        ?        114.0944       4.532265  114.0944       4.532265  114.0944       4.532265  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 -4  0  7  o 2397.430 37.67633 146.1004       6.459941  146.1004       6.459941  146.1004       6.459941  2397.430 53.28238 2397.430 53.28238 0.000000       0.000000 
1 1 1 -4  0  8  o 2149.863 33.76636 117.2522       5.191700  117.2522       5.191700  117.2522       5.191700  2149.863 47.75284 2149.863 47.75284 0.000000       0.000000 
1 1 1 -4  0  9  o 1343.598 35.74801 45.93187       3.427851  45.93187       3.427851  45.93187       3.427851  1343.598 50.55532 1343.598 50.55532 0.000000       0.000000 
1 1 1 -4  0  10 o 1542.554 37.29647 60.56124       4.108226  60.56124       4.108226  60.56124       4.108226  1542.554 52.74518 1542.554 52.74518 0.000000       0.000000 
1 1 1 -4  0  11 o 938.9606 34.56880 22.54531       2.309585  22.54531       2.309585  22.54531       2.309585  938.9606 48.88766 938.9606 48.88766 -0.000000      0.000000 
1 1 1 -4  0  12 o 463.5515 44.27754 5.743916       1.394041  5.743916       1.394041  5.743916       1.394041  463.5515 62.61790 463.5515 62.61790 0.000000       0.000000 
1 1 1 -4  0  13 o 1200.446 35.63334 36.75075       3.050381  36.75075       3.050381  36.75075       3.050381  1200.446 50.39315 1200.446 50.39315 -0.000000      0.000000 
1 1 1 -4  0  14 o 981.4193 52.43627 24.96666       3.636186  24.96666       3.636186  24.96666       3.636186  981.4193 74.15608 981.4193 74.15608 -0.000000      0.000000 
1 1 1 -4  0  15 o 2533.808 48.82533 164.2509       8.842757  164.2509       8.842757  164.2509       8.842757  2533.808 69.04944 2533.808 69.04944 0.000000       0.000000 
1 1 1 -4  0  16 o 1388.275 37.80433 49.33026       3.744990  49.33026       3.744990  49.33026       3.744990  1388.275 53.46340 1388.275 53.46340 0.000000       0.000000 
1 1 1 -4  0  17 o 762.4283 39.00340 15.09913       2.103512  15.09913       2.103512  15.09913       2.103512  762.4283 55.15914 762.4283 55.15914 -0.000000      0.000000 
1 1 1 -4  0  18 o 952.0124 37.96672 23.50181       2.569055  23.50181       2.569055  23.50181       2.569055  952.0124 53.69306 952.0124 53.69306 0.000000       0.000000 
1 1 1 -4  0  19 o 783.0722 57.90214 16.72763       3.165090  16.72763       3.165090  16.72763       3.165090  783.0722 81.88599 783.0722 81.88599 0.000000       0.000000 
1 1 1 -4  0  20 o 430.4567 67.93216 5.638623       1.828822  5.638623       1.828822  5.638623       1.828822  430.4567 96.07058 430.4567 96.07058 0.000000       0.000000 
1 1 1 -4  0  21 o 1193.858 39.87597 37.76506       3.391165  37.76506       3.391165  37.76506       3.391165  1193.858 56.39313 1193.858 56.39313 0.000000       0.000000 
1 1 1 -4  0  22 o 126.2100 59.01485 -0.2696063E-05 1.389164  -0.2696063E-05 1.389164  -0.2696063E-05 1.389164  126.2100 83.45960 126.2100 83.45960 0.000000       0.000000 
1 1 1 -4  0  23 o 317.8711 86.29576 4.229099       1.857378  4.229099       1.857378  4.229099       1.857378  317.8711 122.0406 317.8711 122.0406 0.000000       0.000000 
1 1 1 -4  0  24 o 137.6550 64.66628 0.3469760      1.699321  0.3469760      1.699321  0.3469760      1.699321  137.6550 91.45193 137.6550 91.45193 0.000000       0.000000 
1 1 1 -4  1  1  o 6998.845 133.6687 1239.062       44.70521  1233.062       54.75462  1251.060       77.42564  6975.414 155.0483 7022.276 217.7826 -46.86182      267.3374 
1 1 1 -4  1  2  o 928.9626 44.48763 21.96090       2.076901  23.40385       2.950257  20.54324       2.924280  959.4979 61.05146 898.4273 64.72491 61.07062       88.97525 
1 1 1 -4  1  3  o 2404.944 56.43253 147.3814       6.458642  143.8191       11.18249  149.1646       7.911677  2382.796 92.69749 2427.092 64.38708 -44.29565      112.8651 
1 1 1 -4  1  4  o 3238.734 69.68900 267.6586       10.73751  271.0170       13.15148  260.9442       18.59574  3270.326 79.43279 3207.143 114.5280 63.18384       139.3780 
1 1 1 -4  1  5  o 999.0541 29.73428 25.33787       1.475627  25.14954       2.318580  25.46609       1.913095  995.7679 45.99178 1002.340 37.69968 -6.572449      59.46856 
1 1 1 -4  1  6  o ?        ?        100.5804       3.150941  102.7611       4.178520  97.70571       4.797547  ?        ?        ?        ?        ?              ?        
1 1 1 -4  1  7  o 4080.973 52.03238 424.6185       10.64701  429.3242       16.25887  421.0857       14.08772  4098.418 78.35925 4063.527 68.47847 34.89136       104.0648 
1 1 1 -4  1  8  o 1207.308 32.33242 37.91945       1.904888  41.36253       2.460169  32.76498       3.010115  1277.773 38.03012 1136.844 52.29963 140.9287       64.66483 
1 1 1 -4  1  9  o 369.9492 37.81451 3.525794       0.6859568 3.305670       0.9308848 3.787344       1.014705  357.1803 53.09346 382.7180 53.85939 -25.53778      75.62903 
1 1 1 -4  1  10 o 1476.802 36.73891 55.39691       2.745706  53.41973       3.873711  57.39320       3.892385  1450.241 52.75982 1503.363 51.14089 -53.12170      73.47781 
1 1 1 -4  1  11 o 201.5271 53.18584 0.7714936      0.7246982 0.9055846      1.093222  0.6663764      0.9679329 211.4126 77.74065 191.6415 72.60388 19.77104       106.3717 
1 1 1 -4  1  12 o 791.6901 36.03874 16.05669       1.429359  17.38655       1.987611  14.63234       2.057014  826.2899 47.71637 757.0902 54.02140 69.19971       72.07748 
1 1 1 -4  1  13 o 1085.732 35.31355 29.93328       1.939563  31.59309       2.767550  28.33118       2.719007  1115.371 49.01087 1056.093 50.85392 59.27808       70.62710 
1 1 1 -4  1  14 o 1657.564 47.79981 70.09806       3.794113  70.37304       6.528989  69.95785       4.662107  1657.656 77.79791 1657.473 55.55873 0.1831055      95.59962 
1 1 1 -4  1  15 o 1149.972 43.81969 33.11072       2.403181  31.66148       2.922397  36.13761       4.223457  1114.611 51.78837 1185.332 70.70097 -70.72144      87.63939 
1 1 1 -4  1  16 o 381.1719 51.53176 3.862871       0.9532831 2.722603       1.309434  5.148708       1.390507  318.5709 81.00587 443.7729 63.71921 -125.2021      103.0635 
1 1 1 -4  1  17 o 925.0776 37.39765 22.00682       1.742265  21.95558       2.407551  22.06316       2.524477  924.2784 51.65715 925.8767 54.09137 -1.598267      74.79530 
1 1 1 -4  1  18 o 438.6241 51.21730 5.152514       1.097615  5.115570       1.545164  5.190145       1.559461  437.0249 72.36935 440.2234 72.49500 -3.198456      102.4346 
1 1 1 -4  1  19 o 1309.420 47.89748 44.95288       2.984811  45.58768       5.162780  44.63418       3.658138  1307.283 78.36796 1311.557 55.09207 -4.274292      95.79495 
1 1 1 -4  1  20 o 600.0778 53.31288 9.611227       1.544924  9.102962       1.960008  10.44508       2.510483  582.9537 67.66983 617.2020 82.40053 -34.24829      106.6258 
1 1 1 -4  1  21 o 219.8755 63.04156 0.7802158      1.099402  1.056381       1.477940  0.4380777      1.645027  227.3672 88.77514 212.3838 89.53172 14.98334       126.0831 
1 1 1 -4  1  22 o 1106.960 40.52044 32.80988       2.264007  30.85765       3.158755  34.87224       3.246631  1071.236 58.46445 1142.684 56.12069 -71.44800      81.04088 
1 1 1 -4  1  23 o 487.5867 61.17349 7.004568       1.452250  6.533826       1.983550  7.548441       2.132067  469.5590 86.63067 505.6143 86.39392 -36.05539      122.3470 
1 1 1 -4  1  24 o 318.5462 80.87172 3.474614       1.575746  3.224249       3.219211  3.553500       1.807020  308.4832 127.2681 328.6092 99.81866 -20.12598      161.7434 
1 1 1 -4  2  1  o 845.0595 37.87169 17.98936       1.529623  17.64507       1.878648  18.66653       2.634720  833.6599 44.67408 856.4591 61.16604 -22.79919      75.74337 
1 1 1 -4  2  2  f 6629.592 128.1415 1116.899       40.51091  1121.021       49.62059  1108.660       70.15261  6650.250 147.3806 6608.935 209.6664 41.31543       256.2831 
1 1 1 -4  2  3  o 3596.954 86.52825 327.7337       15.75711  0.000000       0.000000  327.7337       15.75711  ?        ?        3596.954 86.52825 ?              ?        
1 1 1 -4  2  4  o 957.5589 39.95652 23.85259       1.795357  24.95113       2.202363  21.67635       3.099795  992.6069 43.82560 922.5109 66.82373 70.09607       79.91304 
1 1 1 -4  2  5  o 1070.298 25.86290 29.08375       1.401210  29.76681       1.989512  28.41143       1.973804  1082.792 36.29257 1057.804 36.85658 24.98792       51.72580 
1 1 1 -4  2  6  o ?        ?        326.9617       9.950850  326.8088       15.72976  327.0638       12.84863  ?        ?        ?        ?        ?              ?        
1 1 1 -4  2  7  o 667.6000 28.46663 11.42252       0.9384694 11.76527       1.223029  10.93173       1.463501  680.3076 35.63369 654.8925 44.40310 25.41510       56.93325 
1 1 1 -4  2  8  o 3362.439 47.36433 287.0094       8.058218  298.0594       11.39125  275.9408       11.40084  3427.409 65.64804 3297.469 68.29241 129.9402       94.72866 
1 1 1 -4  2  9  o 1354.692 35.20236 46.75175       2.391091  54.73116       3.405807  38.99602       3.357732  1469.390 45.78248 1239.993 53.48635 229.3967       70.40472 
1 1 1 -4  2  10 o 1630.163 38.18279 67.52130       3.150779  66.04127       4.447481  69.01256       4.464317  1612.173 54.49023 1648.153 53.50247 -35.97961      76.36557 
1 1 1 -4  2  11 o 785.1610 34.42844 15.71916       1.361102  15.74389       1.896340  15.69289       1.954766  785.8904 47.89032 784.4316 49.47512 1.458740       68.85688 
1 1 1 -4  2  12 o 1370.027 36.39992 47.65573       2.523741  45.85877       3.546954  49.49831       3.591685  1343.818 52.13527 1396.237 50.81073 -52.41907      72.79984 
1 1 1 -4  2  13 o 1987.688 42.16832 100.4985       4.241688  96.67082       5.967796  104.4065       6.029994  1949.303 60.47154 2026.073 58.78656 -76.77051      84.33663 
1 1 1 -4  2  14 o 1174.939 45.49981 36.55443       2.501586  31.74370       4.280932  39.04897       3.082678  1110.828 76.58958 1239.050 49.14232 -128.2220      90.99962 
1 1 1 -4  2  15 o 1512.542 46.53354 58.15551       3.370127  57.33688       4.128984  59.78936       5.833171  1499.336 54.39520 1525.749 75.51584 -26.41248      93.06707 
1 1 1 -4  2  16 o 1114.094 36.74552 31.71260       2.070817  31.27279       2.978244  32.12426       2.881316  1106.383 53.17052 1121.805 50.73292 -15.42175      73.49104 
1 1 1 -4  2  17 o 710.3226 38.77251 13.03605       1.382302  13.45879       1.940158  12.60024       1.969921  722.4403 53.42476 698.2048 56.20522 24.23547       77.54503 
1 1 1 -4  2  18 o 910.2545 38.14602 21.40917       1.748489  22.57482       2.529546  20.34266       2.419590  934.1048 53.71508 886.4042 54.17718 47.70062       76.29205 
1 1 1 -4  2  19 o 587.6162 60.71378 9.814175       1.626632  8.160810       2.707116  10.74843       2.034958  537.2634 103.2776 637.9691 63.86232 -100.7057      121.4276 
1 1 1 -4  2  20 o 776.6768 53.00069 16.55306       1.894169  17.10225       2.308686  15.42204       3.313141  806.8587 56.88184 746.4949 89.44690 60.36377       106.0014 
1 1 1 -4  2  21 o 290.4543 62.25745 2.227852       1.072364  3.690528       1.585371  0.9941844      1.455981  357.1825 88.19709 223.7260 87.89330 133.4565       124.5149 
1 1 1 -4  2  22 o 676.1921 64.64556 13.32046       1.916131  13.45422       3.578669  13.26670       2.268742  656.4780 111.6748 695.9062 65.15312 -39.42816      129.2911 
1 1 1 -4  2  23 o 285.0961 75.15532 2.265656       1.406976  3.007038       2.349892  1.851354       1.756650  309.9337 113.9759 260.2585 97.99375 49.67523       150.3106 
1 1 1 -4  2  24 o 321.6350 114.1975 3.618833       2.333689  0.000000       0.000000  3.618833       2.333689  ?        ?        321.6350 114.1975 ?              ?        
1 1 1 -4  3  1  o 9483.359 179.3745 2277.797       81.32775  2261.240       99.61341  2310.894       140.8421  9438.213 208.4704 9528.505 291.9606 -90.29199      358.7491 
1 1 1 -4  3  2  o 4073.104 82.42791 418.6456       16.06307  425.7718       27.80271  415.0751       19.68001  4098.315 133.9979 4047.894 96.03122 50.42090       164.8558 
1 1 1 -4  3  3  o 3279.620 80.33083 272.4958       13.33796  0.000000       0.000000  272.4958       13.33796  ?        ?        3279.620 80.33083 ?              ?        
1 1 1 -4  3  4  o 5312.586 85.13144 717.7206       22.88391  689.4860       32.35251  745.9908       32.37298  5207.550 122.7131 5417.622 118.0294 -210.0718      170.2629 
1 1 1 -4  3  5  o ?        ?        287.5240       8.915791  289.0521       14.10044  286.5060       11.50842  ?        ?        ?        ?        ?              ?        
1 1 1 -4  3  6  o ?        ?        282.9482       9.687553  285.3495       13.70255  280.5485       13.69799  ?        ?        ?        ?        ?              ?        
1 1 1 -4  3  7  o 2353.862 40.70504 138.7087       4.779750  129.9989       6.172673  151.7518       7.553701  2263.284 53.87043 2444.439 61.03752 -181.1548      81.41009 
1 1 1 -4  3  8  o 1950.057 37.51474 96.62099       3.619137  97.42904       4.658532  95.39085       5.747906  1960.687 46.93072 1939.427 58.53998 21.25977       75.02947 
1 1 1 -4  3  9  o 3549.057 60.67688 320.6256       10.90230  321.4220       15.41187  319.8279       15.42451  3553.501 85.66730 3544.613 85.95260 8.888184       121.3538 
1 1 1 -4  3  10 o 1176.191 32.01249 35.59187       1.858507  37.50912       2.414366  32.80368       2.911553  1216.002 39.21797 1136.380 50.60779 79.62195       64.02498 
1 1 1 -4  3  11 o 889.0637 34.51318 20.15292       1.545700  19.12928       2.191270  21.16668       2.180669  866.3492 50.17443 911.7782 47.40427 -45.42896      69.02636 
1 1 1 -4  3  12 o 1328.065 36.15751 44.78022       2.430934  44.14054       3.416781  45.43592       3.459333  1318.458 51.18789 1337.673 51.08094 -19.21497      72.31503 
1 1 1 -4  3  13 o 1674.584 39.21553 71.31445       3.323917  72.83408       4.690981  69.78211       4.710538  1692.599 54.74265 1656.569 56.16649 36.02979       78.43107 
1 1 1 -4  3  14 o 1771.203 56.91852 79.94521       5.103940  0.000000       0.000000  79.94521       5.103940  ?        ?        1771.203 56.91852 ?              ?        
1 1 1 -4  3  15 o 388.5576 55.87621 4.005013       1.035417  3.972181       1.312768  4.059061       1.684310  388.0338 69.37051 389.0813 87.61469 -1.047485      111.7524 
1 1 1 -4  3  16 f 142.0539 46.61600 -0.9802436     0.8025303 -1.097208      1.113829  -0.8539668     1.157319  137.0980 64.17632 147.0098 67.62845 -9.911819      93.23201 
1 1 1 -4  3  17 o 705.1268 40.62072 12.95192       1.425200  13.72123       1.936427  12.04265       2.105211  729.4639 52.79084 680.7897 61.75192 48.67426       81.24145 
1 1 1 -4  3  18 o 1368.060 38.58077 48.33026       2.671592  49.59124       3.787915  47.08213       3.768562  1386.103 53.97853 1350.017 55.13821 36.08582       77.16154 
1 1 1 -4  3  19 o 389.2541 81.99395 4.188606       1.564813  0.000000       0.000000  4.188606       1.564813  ?        ?        389.2541 81.99395 ?              ?        
1 1 1 -4  3  20 o 1271.745 56.21865 43.81093       3.599195  43.19207       5.154464  44.39979       5.027954  1261.221 81.15598 1282.269 77.81938 -21.04724      112.4373 
1 1 1 -4  3  21 o 270.0279 69.26411 1.918044       1.225182  2.188374       1.594545  1.528429       1.914288  280.2489 94.65452 259.8069 101.1464 20.44202       138.5282 
1 1 1 -4  3  22 o 247.6564 71.97340 1.221475       1.420544  1.325304       1.787444  1.043464       2.340439  243.5063 96.83600 251.8066 106.5057 -8.300262      143.9468 
1 1 1 -4  3  23 o 484.7404 70.66563 7.526025       1.573900  7.950058       1.910753  6.631168       2.775755  528.6848 73.36527 440.7960 120.7976 87.88876       141.3313 
1 1 1 -4  4  1  o 1268.857 41.20206 41.13710       2.488203  39.88604       4.276510  41.77736       3.059353  1253.169 67.65633 1284.545 47.04317 -31.37622      82.40412 
1 1 1 -4  4  2  f 2067.204 50.59197 108.0798       5.002360  108.7255       8.640398  107.7542       6.135133  2071.637 82.38277 2062.771 58.74749 8.865967       101.1839 
1 1 1 -4  4  3  o 1325.564 48.20082 44.50261       3.234737  0.000000       0.000000  44.50261       3.234737  ?        ?        1325.564 48.20082 ?              ?        
1 1 1 -4  4  4  o 2991.808 53.41751 227.7063       8.090948  228.5100       11.44567  226.9035       11.43899  2997.107 75.43194 2986.510 75.65544 10.59741       106.8350 
1 1 1 -4  4  5  o ?        ?        502.2763       16.40087  485.0595       23.19471  519.4919       23.19394  ?        ?        ?        ?        ?              ?        
1 1 1 -4  4  6  o ?        ?        285.3831       9.837048  287.8372       13.91396  282.9307       13.90941  ?        ?        ?        ?        ?              ?        
1 1 1 -4  4  7  o 1111.661 33.20371 31.33448       1.868452  31.92513       2.641615  30.74313       2.643166  1122.162 46.49757 1101.159 47.41226 21.00317       66.40742 
1 1 1 -4  4  8  o 2463.740 54.40755 154.7728       5.869856  155.3929       6.781977  152.9215       11.71874  2475.643 54.11089 2451.837 94.40730 23.80615       108.8151 
1 1 1 -4  4  9  o 3317.329 53.02435 278.9320       8.741156  285.1537       13.81409  274.7774       11.28854  3346.588 81.53354 3288.070 67.81303 58.51855       106.0487 
1 1 1 -4  4  10 o 913.1797 30.73684 20.93007       1.384520  20.03327       1.758879  22.39093       2.244871  888.6061 39.09697 937.7532 47.43880 -49.14716      61.47367 
1 1 1 -4  4  11 o 971.9710 32.48430 23.89650       1.564863  23.42930       2.016156  24.60443       2.481805  960.9575 41.44159 982.9846 50.03513 -22.02710      64.96860 
1 1 1 -4  4  12 o 253.8259 55.79920 1.635065       0.7951443 1.463117       1.161584  1.786685       1.090762  245.1077 80.74512 262.5441 77.03525 -17.43639      111.5984 
1 1 1 -4  4  13 o 216.0644 61.73373 0.4629804      0.8725892 0.3286693      0.9788221 0.9829402      1.925895  175.4472 71.00412 256.6816 101.0081 -81.23439      123.4675 
1 1 1 -4  4  14 o 946.2096 50.10405 22.85041       2.391629  0.000000       0.000000  22.85041       2.391629  ?        ?        946.2096 50.10405 ?              ?        
1 1 1 -4  4  15 o 273.8373 64.19894 1.845838       0.9962148 1.906236       1.205559  1.715792       1.768987  270.6136 81.38175 277.0611 99.31277 -6.447479      128.3979 
1 1 1 -4  4  16 o 796.6094 38.28901 16.37099       1.527939  17.36008       2.109995  15.28049       2.215530  822.8046 50.90251 770.4141 57.21124 52.39044       76.57801 
1 1 1 -4  4  17 o 869.5662 47.17792 19.85322       1.952889  19.13012       3.296922  20.24406       2.423870  853.1583 77.16519 885.9740 54.30062 -32.81567      94.35583 
1 1 1 -4  4  18 o 534.8519 75.99503 8.472101       1.933574  9.936846       2.487528  6.236066       3.073453  607.2010 83.10012 462.5029 127.2609 144.6981       151.9901 
1 1 1 -4  4  19 o 333.1143 102.2253 3.117311       1.888858  0.000000       0.000000  3.117311       1.888858  ?        ?        333.1143 102.2253 ?              ?        
1 1 1 -4  4  20 o 322.2163 70.70424 2.964186       1.304328  3.640983       1.779031  2.177529       1.917994  355.3688 96.42647 289.0638 103.4325 66.30499       141.4085 
1 1 1 -4  4  21 o 592.7459 53.68638 10.21474       1.466836  12.42893       1.945505  7.298050       2.232904  683.0336 56.77544 502.4583 91.13428 180.5753       107.3728 
1 1 1 -4  4  22 o 308.7485 70.64410 2.902433       1.296700  2.079542       1.875040  3.656729       1.795187  273.4112 101.5748 344.0858 98.20856 -70.67462      141.2882 
1 1 1 -4  4  23 o 237.9316 71.36337 1.035505       1.335869  1.235875       1.503085  0.2822817      2.914269  228.5140 89.44308 247.3491 111.2244 -18.83508      142.7267 
1 1 1 -4  5  1  o 3388.029 71.67732 292.7983       11.56674  286.0142       19.99473  296.2106       14.18031  3357.303 117.6363 3418.755 81.92835 -61.45190      143.3546 
1 1 1 -4  5  2  o 5000.490 99.92907 634.7606       23.87731  640.1907       41.33162  632.0406       29.25249  5012.451 162.8728 4988.528 115.8262 23.92285       199.8581 
1 1 1 -4  5  3  o 3598.324 61.22364 329.1493       11.15253  333.8639       15.78365  324.4484       15.76051  3624.155 86.02349 3572.493 87.13951 51.66235       122.4473 
1 1 1 -4  5  4  o ?        ?        373.5912       14.47754  381.5388       25.08347  369.6211       17.72861  ?        ?        ?        ?        ?              ?        
1 1 1 -4  5  5  o ?        ?        56.96142       2.739651  57.67879       3.878546  56.24707       3.870370  ?        ?        ?        ?        ?              ?        
1 1 1 -4  5  6  o 3484.581 59.52590 310.4904       10.50122  311.1254       14.85255  309.8557       14.84937  3488.176 84.10447 3480.986 84.26012 7.189697       119.0518 
1 1 1 -4  5  7  o 1955.361 40.74636 96.98316       4.033087  95.05376       5.701588  98.91535       5.705708  1935.858 58.17530 1974.864 57.06748 -39.00525      81.49272 
1 1 1 -4  5  8  o 882.0478 38.35862 20.10213       1.477852  20.43563       1.716488  19.14660       2.905450  898.1135 37.75078 865.9821 66.78633 32.13135       76.71724 
1 1 1 -4  5  9  o 3297.265 57.90457 277.2439       9.661343  287.8281       13.68688  266.7326       13.63964  3360.410 80.45049 3234.119 83.30351 126.2908       115.8091 
1 1 1 -4  5  10 o 3088.433 44.16988 242.9270       6.904386  235.3679       9.728656  250.5978       9.800291  3039.801 63.21558 3137.066 61.70661 -97.26538      88.33977 
1 1 1 -4  5  11 o 2378.733 42.63582 145.9314       4.987649  153.3831       6.434354  134.7132       7.894776  2457.350 51.71950 2300.116 67.79636 157.2336       85.27164 
1 1 1 -4  5  12 o 1305.404 33.68980 43.61341       2.183649  45.22786       2.854127  41.33430       3.391127  1335.177 42.22318 1275.631 52.50918 59.54553       67.37960 
1 1 1 -4  5  13 o 2709.835 61.25016 186.5442       7.924747  183.2065       9.673049  193.3572       13.82011  2678.767 71.32551 2740.904 99.59418 -62.13696      122.5003 
1 1 1 -4  5  14 o 1466.366 53.72305 54.79579       3.988288  0.000000       0.000000  54.79579       3.988288  ?        ?        1466.366 53.72305 ?              ?        
1 1 1 -4  5  15 o 1421.918 54.30382 52.18707       3.894500  52.75964       5.542809  51.62880       5.473161  1429.618 76.86414 1414.219 76.73020 15.39856       108.6076 
1 1 1 -4  5  16 o 255.5616 57.96335 1.211591       0.9629806 -0.1120032     1.271714  2.990640       1.474368  178.2589 77.01552 332.8642 86.64647 -154.6052      115.9267 
1 1 1 -4  5  17 o 675.2201 47.97021 11.92256       1.561946  11.86709       1.972002  12.01595       2.558716  676.0616 58.18202 674.3785 76.28510 1.683105       95.94042 
1 1 1 -4  5  18 o 815.7613 49.50933 17.25849       1.885253  16.72796       2.272425  18.42985       3.376618  801.7285 56.34382 829.7941 81.42523 -28.06567      99.01865 
1 1 1 -4  5  19 o 650.9522 63.96313 11.22603       2.080738  0.000000       0.000000  11.22603       2.080738  ?        ?        650.9522 63.96313 ?              ?        
1 1 1 -4  5  20 o 255.9423 67.15006 1.526589       1.123770  1.379908       1.407411  1.784599       1.866604  240.5235 88.24323 271.3612 101.2406 -30.83774      134.3001 
1 1 1 -4  5  21 o 563.6379 55.97993 9.225953       1.442457  12.84822       2.039284  5.599008       2.040600  692.4405 58.72516 434.8353 95.32243 257.6052       111.9599 
1 1 1 -4  5  22 o 188.4689 59.48523 -0.3118184     1.182052  -1.116521      1.743119  0.3732623      1.608349  173.3259 80.85459 203.6119 87.27259 -30.28598      118.9705 
1 1 1 -4  5  23 o 251.2169 71.74580 1.531794       1.333794  1.674437       1.564803  1.152820       2.550587  247.5811 92.63102 254.8527 109.5871 -7.271530      143.4916 
1 1 1 -4  6  1  o 453.5974 41.78551 5.256795       0.9487882 0.000000       0.000000  5.256795       0.9487882 ?        ?        453.5974 41.78551 ?              ?        
1 1 1 -4  6  2  o 1157.627 36.21843 32.47956       1.854637  37.34312       3.763386  30.91950       2.131432  1210.829 61.59523 1104.425 38.11987 106.4041       72.43685 
1 1 1 -4  6  3  o ?        ?        168.3051       6.241008  171.8691       8.833919  164.7537       8.818338  ?        ?        ?        ?        ?              ?        
1 1 1 -4  6  4  o ?        ?        19.61442       1.617777  19.13501       2.806447  19.85300       1.979822  ?        ?        ?        ?        ?              ?        
1 1 1 -4  6  5  o 1547.832 37.34262 62.73970       2.925295  64.70344       4.145679  60.79234       4.128361  1572.675 52.06824 1522.988 53.54237 49.68750       74.68525 
1 1 1 -4  6  6  o 2506.069 46.96235 159.5359       5.958357  159.5990       8.427544  159.4727       8.425235  2506.566 66.41073 2505.573 66.41885 0.9926758      93.92469 
1 1 1 -4  6  7  o 976.2557 30.29939 24.15118       1.497533  24.05976       2.119885  24.24224       2.115784  974.4088 42.97219 978.1027 42.72709 -3.693848      60.59879 
1 1 1 -4  6  8  f 2926.869 64.85326 218.4790       9.047308  219.0373       11.07591  217.3594       15.68381  2935.569 74.52527 2918.169 106.1591 17.40039       129.7065 
1 1 1 -4  6  9  o 1284.802 34.85085 41.88915       2.265066  44.33336       3.246792  39.57170       3.161487  1321.350 48.53477 1248.254 50.02703 73.09570       69.70171 
1 1 1 -4  6  10 o 1444.559 42.66550 51.82391       2.685269  50.61624       3.074976  55.70313       5.511122  1412.005 43.01518 1477.112 73.69583 -65.10718      85.33101 
1 1 1 -4  6  11 o 1031.007 41.10238 28.50082       1.844898  30.10410       2.163595  24.22916       3.531579  1089.475 39.22609 972.5392 72.24222 116.9363       82.20477 
1 1 1 -4  6  12 o 1640.167 47.31680 68.97948       3.717141  67.02478       6.341999  70.00238       4.587773  1620.705 77.29269 1659.629 54.60183 -38.92407      94.63361 
1 1 1 -4  6  13 o 2120.264 63.30630 115.6169       6.788410  119.1972       9.491058  111.8670       9.713323  2154.775 87.00196 2085.752 91.98593 69.02271       126.6126 
1 1 1 -4  6  14 o 639.8358 73.03512 10.63179       2.323441  0.000000       0.000000  10.63179       2.323441  ?        ?        639.8358 73.03512 ?              ?        
1 1 1 -4  6  15 o 964.7117 43.42737 23.83324       2.004681  23.63141       2.473294  24.21976       3.422731  961.0374 51.01643 968.3859 70.29273 -7.348450      86.85474 
1 1 1 -4  6  16 o 1158.016 37.35781 34.29490       2.188675  33.09321       3.028137  35.60935       3.167040  1136.859 52.61209 1179.173 53.05084 -42.31470      74.71561 
1 1 1 -4  6  17 o 421.9442 55.20277 4.745255       1.129975  5.424763       1.710422  4.219006       1.505225  449.0432 78.07121 394.8451 78.06579 54.19815       110.4055 
1 1 1 -4  6  18 f 631.4259 57.12683 9.801245       1.585212  8.793486       1.823026  12.92563       3.209937  577.2212 63.42908 685.6307 95.02974 -108.4095      114.2537 
1 1 1 -4  6  19 o 705.0663 61.25794 13.13019       2.164902  0.000000       0.000000  13.13019       2.164902  ?        ?        705.0663 61.25794 ?              ?        
1 1 1 -4  6  20 o 193.1670 59.93051 -0.1175118     1.114427  -0.1255768     1.472286  -0.1066914     1.705351  186.1868 81.61418 200.1471 87.78262 -13.96025      119.8610 
1 1 1 -4  6  21 o 226.7494 65.88492 0.8606972      1.208107  0.8644129      1.816420  0.8577496      1.617817  230.7989 95.44061 222.6998 90.85362 8.099167       131.7698 
1 1 1 -4  6  22 o 213.4596 64.48573 0.4429622      1.258679  -0.2545044     1.847964  1.046545       1.719095  197.3369 88.66791 229.5823 93.65704 -32.24544      128.9715 
1 1 1 -4  6  23 o 307.7208 82.22117 2.373714       1.504396  1.598011       1.700579  5.165820       3.226377  246.1097 95.46658 369.3318 133.8933 -123.2221      164.4423 
1 1 1 -4  7  1  o ?        ?        405.5877       15.91414  406.3385       19.47526  404.0788       27.60807  ?        ?        ?        ?        ?              ?        
1 1 1 -4  7  2  o ?        ?        524.8849       17.11441  517.2601       19.75487  547.8257       34.26605  ?        ?        ?        ?        ?              ?        
1 1 1 -4  7  3  o ?        ?        427.7352       20.11184  423.1027       28.44888  432.3636       28.43601  ?        ?        ?        ?        ?              ?        
1 1 1 -4  7  4  o ?        ?        263.1847       10.52987  273.9491       18.26141  257.8229       12.88825  ?        ?        ?        ?        ?              ?        
1 1 1 -4  7  5  o 2383.226 45.40882 144.3982       5.478092  141.7021       7.749538  147.0910       7.744849  2360.892 64.83598 2405.561 63.59353 -44.66895      90.81763 
1 1 1 -4  7  6  o 471.2763 31.65353 5.679318       0.7460877 5.701786       1.063957  5.657581       1.046513  472.1680 45.05537 470.3846 44.47243 1.783386       63.30705 
1 1 1 -4  7  7  o 1981.672 40.94361 99.61484       4.107421  101.0613       5.810824  98.17037       5.806719  1996.078 57.50116 1967.265 58.30210 28.81274       81.88723 
1 1 1 -4  7  8  o 415.9906 47.57516 4.447246       0.9839345 4.447246       0.9839345 0.000000       0.000000  415.9906 47.57516 ?        ?        ?              ?        
1 1 1 -4  7  9  o 1899.298 57.55904 91.78498       5.534651  0.000000       0.000000  91.78498       5.534651  ?        ?        1899.298 57.55904 ?              ?        
1 1 1 -4  7  10 o 1952.271 50.30655 95.78745       4.720543  101.6628       8.169201  92.84221       5.783948  1994.445 80.90470 1910.098 59.81157 84.34778       100.6131 
1 1 1 -4  7  11 o 1134.960 39.54190 32.14507       1.988570  31.46147       2.302006  34.15517       3.947441  1113.658 40.82920 1156.262 67.72905 -42.60376      79.08380 
1 1 1 -4  7  12 o 1167.824 40.20638 34.03763       2.079982  33.29140       2.407123  36.23699       4.132450  1145.335 41.51282 1190.314 68.86870 -44.97974      80.41276 
1 1 1 -4  7  13 o 1298.183 46.54805 44.03638       2.525257  44.78820       2.875090  41.49865       5.282215  1327.620 42.77537 1268.746 82.68708 58.87415       93.09611 
1 1 1 -4  7  14 o 479.0203 65.01638 5.054139       1.341347  8.688159       2.848023  4.018280       1.520549  569.8200 102.4923 388.2206 80.02409 181.5994       130.0328 
1 1 1 -4  7  15 o 1409.313 46.54873 50.81162       3.136653  50.26317       3.851366  51.89203       5.405530  1402.242 54.25106 1416.383 75.65685 -14.14148      93.09746 
1 1 1 -4  7  16 o 1307.781 37.76363 43.86318       2.500210  44.14627       3.554528  43.58598       3.517424  1311.922 53.51684 1303.641 53.29461 8.281128       75.52726 
1 1 1 -4  7  17 o 674.4955 42.16299 11.85420       1.420884  10.75459       1.975108  13.03371       2.045614  641.2147 61.60017 707.7763 57.58723 -66.56165      84.32597 
1 1 1 -4  7  18 o 634.1844 52.94695 9.962950       1.528822  8.853350       1.792550  12.92373       2.928135  579.1005 62.11079 689.2684 85.76578 -110.1679      105.8939 
1 1 1 -4  7  19 o 452.4365 67.21951 6.428397       1.475825  3.578936       2.379152  8.210635       1.881584  352.2830 115.5348 552.5899 68.74277 -200.3069      134.4390 
1 1 1 -4  7  20 o 731.3891 52.17594 13.71044       1.806595  11.97576       2.179109  17.52367       3.230842  667.0497 65.36629 795.7285 81.34225 -128.6788      104.3519 
1 1 1 -4  7  21 o 356.8104 71.40763 3.968781       1.377836  4.747169       1.884833  3.075450       2.019207  396.3995 95.13126 317.2213 106.5187 79.17822       142.8153 
1 1 1 -4  7  22 o 367.4130 68.16925 4.253169       1.288288  3.807311       1.931239  4.610651       1.729276  345.0682 102.8299 389.7577 89.52207 -44.68945      136.3385 
1 1 1 -4  7  23 o 245.0724 75.54746 1.081140       1.504298  1.217864       1.660618  0.4557678      3.551536  229.4807 92.61971 260.6642 119.3787 -31.18343      151.0949 
1 1 1 -4  8  1  o ?        ?        144.2933       5.541984  140.3391       11.14487  145.5923       6.387740  ?        ?        ?        ?        ?              ?        
1 1 1 -4  8  2  o ?        ?        96.67601       3.653590  101.0905       5.788574  93.75285       4.710406  ?        ?        ?        ?        ?              ?        
1 1 1 -4  8  3  o 867.8975 38.15371 19.05846       1.580994  18.03938       1.926282  21.16184       2.767414  836.2740 45.67029 899.5209 61.13139 -63.24689      76.30742 
1 1 1 -4  8  4  o 1132.732 47.55716 32.75269       2.713825  33.96237       3.852230  31.56080       3.823784  1153.711 66.23007 1111.753 68.26646 41.95776       95.11431 
1 1 1 -4  8  5  o 2665.093 57.75722 176.9502       7.411804  169.3442       9.075095  192.1871       12.84463  2582.417 69.41306 2747.768 92.33316 -165.3516      115.5144 
1 1 1 -4  8  6  o 821.0358 38.03705 16.87203       1.488313  18.07118       2.595326  16.28446       1.816712  841.7552 61.32244 800.3163 45.02031 41.43896       76.07410 
1 1 1 -4  8  7  o 1820.029 55.07806 84.05570       5.075053  0.000000       0.000000  84.05570       5.075053  ?        ?        1820.029 55.07806 ?              ?        
1 1 1 -4  8  8  o 379.4491 49.41091 3.717729       0.9266896 3.717729       0.9266896 0.000000       0.000000  379.4491 49.41091 ?        ?        ?              ?        
1 1 1 -4  8  9  o 1281.566 49.85664 42.13539       3.209849  46.76405       4.532540  37.47856       4.546314  1354.228 66.10986 1208.904 74.64732 145.3246       99.71327 
1 1 1 -4  8  10 o 2994.258 49.13716 227.3451       7.317793  222.7049       9.456764  234.2704       11.55300  2958.071 63.14666 3030.445 75.30166 -72.37476      98.27431 
1 1 1 -4  8  11 o 2497.938 44.44974 159.7322       5.491509  163.4435       7.095174  154.1875       8.672461  2535.834 55.26608 2460.042 69.63316 75.79150       88.89948 
1 1 1 -4  8  12 o 554.5626 39.24419 8.388757       0.9996259 9.541723       1.259037  6.422453       1.644204  611.7174 40.88962 497.4079 66.99602 114.3095       78.48839 
1 1 1 -4  8  13 o 1448.250 47.81237 55.55819       2.864514  57.01654       3.256541  50.57142       6.021941  1497.545 42.95296 1398.955 85.43497 98.58936       95.62474 
1 1 1 -4  8  14 o 962.0604 46.46555 23.35688       2.124493  25.27083       3.726742  22.43545       2.585805  988.3489 75.03947 935.7719 54.82032 52.57703       92.93110 
1 1 1 -4  8  15 o 1612.431 48.48162 67.70345       3.718374  69.10976       4.578966  64.98043       6.371659  1643.115 55.04475 1581.748 79.82447 61.36707       96.96324 
1 1 1 -4  8  16 o 1007.330 38.52986 26.18393       1.954869  27.60808       2.756341  24.74258       2.772937  1035.563 52.74893 979.0972 56.17607 56.46545       77.05972 
1 1 1 -4  8  17 o 653.6199 43.32551 11.15387       1.406026  9.499043       1.930473  13.02346       2.051920  600.5699 64.50216 706.6697 57.86079 -106.0998      86.65102 
1 1 1 -4  8  18 o 992.6379 48.64280 24.02449       2.181568  21.62538       2.524702  31.09492       4.334191  910.3373 55.03905 1074.938 80.21963 -164.6011      97.28559 
1 1 1 -4  8  19 o 284.8639 65.12090 2.240555       1.140445  3.071392       1.482235  1.035078       1.785412  328.7653 87.50770 240.9625 96.46413 87.80283       130.2418 
1 1 1 -4  8  20 o 568.2030 58.23009 9.412645       1.502247  10.25416       1.873832  7.898821       2.513254  618.2570 60.64645 518.1490 99.42324 100.1080       116.4602 
1 1 1 -4  8  21 o 714.6434 46.04452 14.01913       1.644886  13.72585       2.253998  14.35326       2.405863  707.9163 63.56847 721.3705 66.62912 -13.45416      92.08904 
1 1 1 -4  8  22 o 496.7202 57.04818 7.328231       1.357591  5.884065       1.964004  8.649647       1.878683  439.0596 91.33099 554.3808 68.38589 -115.3212      114.0964 
1 1 1 -4  8  23 o 182.3919 57.88210 -0.1573633     1.117869  0.2105975      1.498929  -0.6184897     1.677993  188.5997 82.51862 176.1841 81.19131 12.41554       115.7642 
1 1 1 -4  9  1  o 2192.830 39.99473 121.9166       4.356325  125.7675       6.907452  119.3734       5.613453  2220.096 61.45573 2165.563 51.20066 54.53296       79.98946 
1 1 1 -4  9  2  o 2020.559 41.56638 103.8423       4.251884  102.9062       6.016543  104.7763       6.009606  2011.412 59.08297 2029.705 58.48296 -18.29309      83.13275 
1 1 1 -4  9  3  o 1625.396 49.08309 68.70865       3.742925  71.42430       4.572919  63.19658       6.514992  1677.583 53.84257 1573.209 82.08275 104.3743       98.16618 
1 1 1 -4  9  4  o 1693.789 45.55680 72.01287       3.704811  75.35307       6.408129  70.33588       4.540565  1722.264 73.49331 1665.313 53.85556 56.95178       91.11359 
1 1 1 -4  9  5  o 873.2777 37.95452 18.99727       1.591070  20.75616       2.748807  18.11108       1.951147  902.4868 60.51199 844.0685 45.83104 58.41827       75.90905 
1 1 1 -4  9  6  o 3077.902 67.75884 244.9720       9.876484  251.9138       12.10098  231.1216       17.09300  3147.999 75.92805 3007.805 112.2496 140.1938       135.5177 
1 1 1 -4  9  7  o 2463.668 66.30575 154.4301       8.270220  154.4301       8.270220  0.000000       0.000000  2463.668 66.30575 ?        ?        ?              ?        
1 1 1 -4  9  8  o 990.2772 65.84341 25.11069       3.282242  25.11069       3.282242  0.000000       0.000000  990.2772 65.84341 ?        ?        ?              ?        
1 1 1 -4  9  9  o 600.6542 46.41274 9.217986       1.400434  0.000000       0.000000  9.217986       1.400434  ?        ?        600.6542 46.41274 ?              ?        
1 1 1 -4  9  10 o 1653.418 35.29308 69.55881       2.901062  70.10368       3.770608  68.76833       4.541559  1661.905 44.81482 1644.932 54.53474 16.97229       70.58616 
1 1 1 -4  9  11 o 1862.993 37.22929 89.00025       3.432699  92.23334       4.457544  84.28896       5.380925  1905.814 46.19889 1820.172 58.39300 85.64124       74.45858 
1 1 1 -4  9  12 o 1183.414 34.13451 36.02453       1.984479  37.43348       2.546453  33.84539       3.166872  1213.949 41.43351 1152.878 54.25793 61.07043       68.26902 
1 1 1 -4  9  13 o 2090.579 54.00353 114.9047       4.801343  117.2088       5.501483  107.5410       9.834939  2144.498 50.67230 2036.661 95.38261 107.8363       108.0071 
1 1 1 -4  9  14 o 1038.771 37.11822 27.58039       1.943530  26.73024       2.672392  28.53488       2.831649  1021.910 51.82354 1055.630 53.15421 -33.72003      74.23644 
1 1 1 -4  9  15 o 1348.669 45.39184 46.08235       2.965920  44.11721       3.670394  49.77995       5.034728  1311.773 55.26757 1385.565 72.02203 -73.79175      90.78368 
1 1 1 -4  9  16 o 454.9011 52.20927 5.781750       1.082872  6.361506       1.350318  4.737061       1.812620  494.0237 54.91840 415.7786 88.80991 78.24515       104.4185 
1 1 1 -4  9  17 o 1359.535 39.19787 47.88972       2.696973  46.34954       3.757736  49.52589       3.873071  1336.960 55.51675 1382.110 55.35146 -45.14990      78.39574 
1 1 1 -4  9  18 o 924.6990 40.53316 22.43072       1.886990  22.72475       2.634373  22.12089       2.704210  931.6088 56.11664 917.7892 58.50360 13.81958       81.06632 
1 1 1 -4  9  19 o 413.0991 60.24725 4.793224       1.215408  5.388694       1.806260  4.300529       1.643008  437.1690 84.66956 389.0292 85.73209 48.13974       120.4945 
1 1 1 -4  9  20 o 374.4446 62.37789 3.969038       1.234830  1.997555       1.649388  6.483200       1.862615  270.2885 96.00148 478.6007 79.67259 -208.3123      124.7558 
1 1 1 -4  9  21 o 222.2367 60.99793 0.9266011      1.048820  -0.9678651E-01 1.468197  1.993078       1.498786  181.7228 80.50118 262.7506 91.66543 -81.02785      121.9959 
1 1 1 -4  9  22 o 595.4429 52.51639 10.19721       1.518694  8.200992       2.111192  12.33797       2.186292  527.0911 81.76364 663.7947 65.92869 -136.7037      105.0328 
1 1 1 -4  9  23 o 290.9515 79.48505 2.883153       1.675302  2.363123       2.381445  3.392653       2.357211  274.1173 110.8166 307.7857 113.9789 -33.66837      158.9701 
1 1 1 -4  10 1  o 3099.507 68.02819 244.4606       10.08049  246.1405       17.42074  243.6149       12.35995  3103.995 110.8567 3095.020 78.88051 8.975586       136.0564 
1 1 1 -4  10 2  o 2744.242 70.50697 191.2894       9.795761  0.000000       0.000000  191.2894       9.795761  ?        ?        2744.242 70.50697 ?              ?        
1 1 1 -4  10 3  o 1667.691 52.91693 70.52914       4.467802  70.52914       4.467802  0.000000       0.000000  1667.691 52.91693 ?        ?        ?              ?        
1 1 1 -4  10 4  f 1600.802 45.58369 66.68235       3.447685  69.94469       4.239350  60.31023       5.924839  1660.912 50.41608 1540.692 75.95861 120.2194       91.16738 
1 1 1 -4  10 5  o 3280.333 57.38956 273.7551       9.530293  277.4339       13.48139  270.0802       13.47435  3302.468 80.63292 3258.197 81.68587 44.27124       114.7791 
1 1 1 -4  10 6  o 2438.474 46.40513 151.2449       5.728751  152.3709       8.105192  150.1208       8.098166  2447.582 65.40974 2429.366 65.84308 18.21631       92.81026 
1 1 1 -4  10 7  o 435.7522 32.21059 4.871131       0.6956154 5.569951       1.004367  4.226888       0.9643501 466.4213 43.01821 405.0831 47.95333 61.33826       64.42118 
1 1 1 -4  10 8  o 573.4011 41.87896 8.789577       1.096880  9.392698       1.342875  7.580515       1.901332  606.5240 44.03267 540.2781 71.24964 66.24585       83.75791 
1 1 1 -4  10 9  o 1180.338 42.71785 35.90338       2.387461  34.36821       4.121574  36.67863       2.928886  1158.948 70.58134 1201.728 48.14075 -42.77954      85.43569 
1 1 1 -4  10 10 o 565.1788 44.99702 8.267177       1.140506  8.314753       1.354742  8.151411       2.113250  570.2694 47.35208 560.0883 76.52914 10.18115       89.99404 
1 1 1 -4  10 11 o 916.7884 35.64009 21.34815       1.642459  23.88774       2.401019  19.11453       2.251736  968.1475 49.14702 865.4293 51.62786 102.7183       71.28019 
1 1 1 -4  10 12 o 1392.677 37.59296 49.43087       2.647061  52.83174       3.773251  46.13517       3.714460  1440.093 51.75373 1345.262 54.53873 94.83020       75.18592 
1 1 1 -4  10 13 o 1529.813 45.11497 61.03982       3.019510  62.10597       3.506777  57.98307       5.937835  1561.793 44.35076 1497.833 78.57768 63.95959       90.22994 
1 1 1 -4  10 14 o 1243.103 37.61385 39.45327       2.365077  37.98074       3.261239  41.08686       3.434968  1218.757 52.85450 1267.449 53.53137 -48.69287      75.22770 
1 1 1 -4  10 15 o 311.7158 66.48708 2.552097       1.128959  2.233191       1.488073  2.984589       1.732933  291.3399 90.95518 332.0916 97.00146 -40.75177      132.9742 
1 1 1 -4  10 16 o 326.4667 55.39215 2.900844       0.9076768 2.431145       1.250965  3.423051       1.319036  298.2831 80.82619 354.6503 75.76470 -56.36716      110.7843 
1 1 1 -4  10 17 o 438.7225 51.95092 5.204167       1.110291  4.655926       1.530075  5.813921       1.613633  412.9032 75.99516 464.5418 70.85426 -51.63867      103.9018 
1 1 1 -4  10 18 o 788.2181 53.13265 16.34277       1.965798  18.17670       3.494143  15.49349       2.377798  811.9490 86.32589 764.4871 61.96898 47.46191       106.2653 
1 1 1 -4  10 19 o 315.8250 63.09381 2.809189       1.084817  3.859485       1.593336  1.901615       1.481128  366.1461 87.20279 265.5039 91.20850 100.6422       126.1876 
1 1 1 -4  10 20 f 528.5080 50.63629 7.841168       1.305569  6.842649       1.868632  8.793447       1.824852  490.7077 77.81383 566.3083 64.81624 -75.60068      101.2726 
1 1 1 -4  10 21 o 466.8160 56.62951 6.384750       1.280408  6.405397       1.712906  6.358603       1.927586  472.1182 74.10378 461.5139 85.65184 10.60422       113.2590 
1 1 1 -4  10 22 o 381.1827 79.93410 5.388308       1.696092  5.974844       1.982794  3.788575       3.274566  437.4324 92.42800 324.9330 130.4412 112.4995       159.8682 
1 1 1 -4  11 1  o 418.3520 36.56286 4.767188       0.7061933 5.575978       0.9115762 3.553234       1.116802  467.4917 38.86787 369.2122 61.94078 98.27954       73.12572 
1 1 1 -4  11 2  o 951.4161 30.67791 22.94442       1.477564  22.69299       2.094105  23.19370       2.085106  946.2159 43.71440 956.6163 43.05333 -10.40039      61.35583 
1 1 1 -4  11 3  o 233.6996 37.49107 1.443158       0.4334559 1.358729       0.6224299 1.522657       0.6039844 226.9163 54.79877 240.4830 51.18022 -13.56671      74.98213 
1 1 1 -4  11 4  o 1894.751 40.70803 91.15103       3.904552  89.70346       5.524445  92.59590       5.519300  1879.672 58.05276 1909.830 57.08284 -30.15784      81.41605 
1 1 1 -4  11 5  o 991.3771 44.59526 26.51882       2.011715  21.46234       3.523699  28.96386       2.450286  914.3961 76.82896 1068.358 45.30188 -153.9620      89.19053 
1 1 1 -4  11 6  o 483.1070 31.52181 5.974105       0.7619984 6.086970       1.095770  5.868416       1.060359  487.5187 44.90070 478.6953 44.25409 8.823395       63.04361 
1 1 1 -4  11 7  o 599.6017 32.11842 9.245466       0.9535691 11.09972       1.360951  7.457290       1.336482  659.9006 40.93821 539.3029 49.50186 120.5978       64.23684 
1 1 1 -4  11 8  o 710.0053 46.59773 13.05156       1.632448  10.71921       2.302929  15.40716       2.314373  644.2323 71.83106 775.7783 59.37754 -131.5460      93.19547 
1 1 1 -4  11 9  o 902.1100 42.96952 21.83099       1.786367  17.94920       3.071923  23.81434       2.195805  835.6876 73.34956 968.5323 44.78123 -132.8447      85.93903 
1 1 1 -4  11 10 o 1351.982 35.83034 46.46571       2.452227  47.09240       3.461257  45.83413       3.474729  1361.185 50.22651 1342.780 51.11312 18.40491       71.66068 
1 1 1 -4  11 11 o 1362.202 33.22688 47.26467       2.255029  47.59787       2.944589  46.79210       3.506755  1368.601 42.49757 1355.803 51.08874 12.79846       66.45376 
1 1 1 -4  11 12 o 919.0328 47.24893 23.42874       1.801198  25.04104       2.082794  18.64613       3.587202  992.2327 41.46189 845.8329 84.91618 146.3998       94.49786 
1 1 1 -4  11 13 o 1192.440 48.57347 35.89727       2.684810  34.79972       3.196457  38.52640       4.947226  1166.823 54.11032 1218.056 80.68209 -51.23242      97.14693 
1 1 1 -4  11 14 o 1263.206 46.18285 39.26244       2.846071  49.05855       4.837612  34.07698       3.519634  1376.535 69.64259 1149.877 60.67398 226.6578       92.36569 
1 1 1 -4  11 15 o 803.4368 52.75383 16.40629       2.082355  20.98610       3.317028  13.42736       2.675198  893.7062 73.97638 713.1672 75.22873 180.5390       105.5077 
1 1 1 -4  11 16 o 785.0637 37.63965 16.52133       1.418474  18.14990       1.819467  13.99761       2.264970  839.6921 42.94334 730.4352 61.82914 109.2570       75.27930 
1 1 1 -4  11 17 o 874.0411 61.30107 22.59903       1.950128  23.69894       2.171685  18.01856       4.431727  958.2318 44.76542 789.8505 114.1374 168.3813       122.6021 
1 1 1 -4  11 18 o 153.0197 50.80955 -1.462546      1.011299  -0.6450242     1.469352  -2.198378      1.394008  171.6774 77.91434 134.3620 65.23647 37.31548       101.6191 
1 1 1 -4  11 19 o 506.5292 50.74247 7.065602       1.235686  6.990564       1.589597  7.180191       1.964342  507.6747 63.21624 505.3837 79.39081 2.291077       101.4849 
1 1 1 -4  11 20 o 205.5691 59.67386 0.6752928      1.014917  1.128232       1.310394  -0.3748355E-02 1.604463  219.0860 84.12161 192.0522 84.66068 27.03384       119.3477 
1 1 1 -4  11 21 o 293.3530 75.13622 1.991397       1.382873  4.872818       2.579831  0.8296795      1.638092  370.5009 120.2506 216.2052 90.11994 154.2957       150.2724 
1 1 1 -4  11 22 o 512.2156 76.86430 9.741318       1.779974  10.81745       2.096846  6.965863       3.367447  614.0011 68.62890 410.4300 137.5593 203.5711       153.7286 
1 1 1 -4  12 1  o 2463.810 47.35952 154.2944       5.906830  156.8170       8.353745  151.7720       8.353292  2484.032 66.42634 2443.587 67.52213 40.44507       94.71904 
1 1 1 -4  12 2  o 3081.580 54.97556 241.8174       8.576806  241.2000       12.13002  242.4348       12.12885  3077.622 77.85072 3085.538 77.64349 -7.916260      109.9511 
1 1 1 -4  12 3  o 2224.157 55.28864 126.3618       5.842316  125.3682       10.18381  126.8492       7.132822  2214.899 90.81817 2233.414 63.08244 -18.51489      110.5773 
1 1 1 -4  12 4  o 1229.976 33.38947 38.41782       2.078991  39.11087       2.948836  37.73289       2.931514  1241.029 46.93374 1218.923 47.50420 22.10571       66.77893 
1 1 1 -4  12 5  f 2685.804 48.11926 184.1137       6.542985  184.6447       9.260006  183.5842       9.246367  2689.687 68.00266 2681.921 68.09911 7.765625       96.23851 
1 1 1 -4  12 6  o 2010.606 41.80180 103.0226       4.255033  102.7862       6.023339  103.2581       6.011730  2008.275 59.24210 2012.937 58.99099 -4.661743      83.60361 
1 1 1 -4  12 7  o 859.9028 41.08383 19.51369       1.651062  20.76994       2.034065  17.08738       2.826837  904.3211 44.42818 815.4845 69.12062 88.83661       82.16766 
1 1 1 -4  12 8  o 2009.095 59.25799 103.2730       6.025449  100.0668       8.507831  106.4996       8.534777  1977.507 84.98009 2040.683 82.61006 -63.17627      118.5160 
1 1 1 -4  12 9  o 728.2504 38.41616 12.99018       1.343451  15.48108       2.342891  11.76993       1.639826  777.5386 59.98124 678.9622 48.01516 98.57642       76.83231 
1 1 1 -4  12 10 o 1110.663 34.09959 31.40368       1.914176  33.53521       2.709217  29.27895       2.704896  1148.506 46.59365 1072.820 49.80122 75.68604       68.19919 
1 1 1 -4  12 11 o 1856.470 40.93613 88.01417       3.847076  89.45869       5.438597  86.56753       5.442579  1871.856 57.38928 1841.083 58.39125 30.77295       81.87226 
1 1 1 -4  12 12 o 1451.948 44.77456 53.91378       2.865418  53.69591       3.322083  54.54689       5.662940  1451.709 45.20091 1452.186 77.30409 -0.4771729     89.54912 
1 1 1 -4  12 13 o 1688.542 40.86119 73.08965       3.491043  76.46436       4.969516  69.80162       4.905271  1727.372 56.82568 1649.713 58.73149 77.65918       81.72237 
1 1 1 -4  12 14 o 362.4976 58.41657 3.291276       1.078635  1.771715       1.383702  5.644829       1.722049  265.1008 88.16607 459.8943 76.65982 -194.7935      116.8331 
1 1 1 -4  12 15 o 953.1011 54.53635 23.53680       2.620605  23.53680       2.620605  0.000000       0.000000  953.1011 54.53635 ?        ?        ?              ?        
1 1 1 -4  12 16 f 935.1200 44.88720 22.53329       2.125072  22.53329       2.125072  0.000000       0.000000  935.1200 44.88720 ?        ?        ?              ?        
1 1 1 -4  12 17 o 317.4561 72.43099 2.942236       1.647836  4.625449       1.865623  -3.030877      3.514427  401.6419 93.49860 233.2702 110.6481 168.3717       144.8620 
1 1 1 -4  12 18 o 447.3575 58.51487 5.594895       1.271676  6.502286       1.898933  4.857061       1.712347  481.7292 80.71707 412.9858 84.73909 68.74338       117.0297 
1 1 1 -4  12 19 f 790.5115 39.14778 16.58246       1.528669  16.11634       1.973342  17.28193       2.417335  780.2962 50.21947 800.7269 60.06829 -20.43066      78.29556 
1 1 1 -4  12 20 o 395.0316 68.01740 4.773230       1.303199  5.343412       2.199148  4.464632       1.617871  404.9915 106.0161 385.0716 85.24110 19.91989       136.0348 
1 1 1 -4  12 21 o 512.4533 57.36459 7.958458       1.388825  10.14105       1.950971  5.716136       1.977488  599.6317 65.32301 425.2749 94.31696 174.3568       114.7292 
1 1 1 -4  12 22 o 239.7213 74.65039 1.138450       1.623020  1.412773       1.839477  0.1742864      3.448564  234.9768 96.48573 244.4659 113.9352 -9.489105      149.3008 
1 1 1 -4  13 1  o 1086.583 34.68830 30.00457       1.907712  30.72717       2.693291  29.27699       2.702557  1099.770 48.37239 1073.395 49.73153 26.37549       69.37661 
1 1 1 -4  13 2  o 1527.985 41.82854 57.74638       3.059026  54.51094       3.712036  64.59373       5.400161  1464.434 50.06784 1591.537 67.02029 -127.1033      83.65709 
1 1 1 -4  13 3  o 2211.106 56.42580 126.6155       5.897650  121.1314       10.27463  129.3103       7.202318  2170.246 93.51334 2251.967 63.17229 -81.72095      112.8516 
1 1 1 -4  13 4  o 2859.022 51.81177 209.1472       7.497993  214.0742       10.61187  204.2353       10.59567  2892.986 72.45396 2825.058 74.08281 67.92798       103.6235 
1 1 1 -4  13 5  o 616.0223 30.26265 9.676602       0.9369683 10.29455       1.347497  9.098143       1.303733  635.2129 42.14029 596.8318 43.44546 38.38110       60.52530 
1 1 1 -4  13 6  o 697.6450 32.23326 12.41686       1.132187  12.41555       1.606890  12.41816       1.595481  697.5899 45.75248 697.7002 45.41632 -0.1102905     64.46651 
1 1 1 -4  13 7  o 751.8471 66.72280 14.52040       2.513340  14.52040       2.513340  0.000000       0.000000  751.8471 66.72280 ?        ?        ?              ?        
1 1 1 -4  13 8  o 1532.218 52.79998 60.35740       4.048200  69.96980       5.745750  50.88249       5.704512  1656.254 68.52295 1408.181 80.34898 248.0734       105.6000 
1 1 1 -4  13 9  o 1232.958 43.69067 39.70434       2.538365  36.30166       4.363978  41.44424       3.120570  1189.258 72.83167 1276.659 48.28091 -87.40051      87.38133 
1 1 1 -4  13 10 o 1390.394 35.95422 49.25023       2.530718  48.47174       3.563591  50.04231       3.594560  1379.277 51.03318 1401.511 50.66004 -22.23376      71.90845 
1 1 1 -4  13 11 o 512.1550 37.38615 6.765207       0.9551427 6.697751       1.331604  6.836693       1.370800  509.5933 52.35848 514.7167 53.38060 -5.123413      74.77231 
1 1 1 -4  13 12 o 503.2783 53.53334 6.454371       1.137744  6.246259       1.303106  7.121809       2.333653  491.4154 53.22863 515.1412 92.89773 -23.72577      107.0667 
1 1 1 -4  13 13 f 1249.485 37.81535 39.97652       2.389452  42.72285       3.444889  37.43014       3.317123  1291.013 52.70611 1207.957 54.24084 83.05603       75.63070 
1 1 1 -4  13 14 o 155.1672 48.99136 -0.5279177     0.7750344 0.2676517E-01  1.227026  -0.8961136     0.9997029 178.7136 76.40423 131.6208 61.34336 47.09282       97.98272 
1 1 1 -4  13 15 o 604.9524 50.80791 9.983582       1.443653  10.57673       1.820299  8.978006       2.370103  635.6196 57.17875 574.2853 84.00218 61.33429       101.6158 
1 1 1 -4  13 16 o 170.5206 53.00882 -0.3583706     0.8989105 -0.9256189     1.219691  0.3160776      1.329957  147.6306 68.44865 193.4105 80.96000 -45.77994      106.0176 
1 1 1 -4  13 17 o 285.2737 78.01951 1.699766       1.108119  1.639200       1.167001  2.254916       3.533158  246.7983 80.91540 323.7491 133.4199 -76.95078      156.0390 
1 1 1 -4  13 18 o 851.0721 59.42675 17.72757       2.270802  14.70930       2.609474  27.14417       4.609149  732.4977 71.26854 969.6465 95.11546 -237.1488      118.8535 
1 1 1 -4  13 19 f 339.5170 72.67771 3.656995       1.375879  3.029404       2.021466  4.198675       1.878016  311.9408 106.5693 367.0932 98.84931 -55.15244      145.3554 
1 1 1 -4  13 20 f 262.8587 77.22224 1.773242       1.576881  0.4390992      3.513270  2.109813       1.764610  259.7688 118.8823 265.9486 98.59052 -6.179749      154.4445 
1 1 1 -4  13 21 o 200.3781 61.19592 0.3966677      1.157094  0.9807548      1.596303  -0.2499905     1.679631  216.5920 89.51072 184.1641 83.47211 32.42786       122.3918 
1 1 1 -4  13 22 o 285.8618 83.23493 2.244705       1.552231  1.492990       1.713769  5.677715       3.662376  231.0430 93.79535 340.6808 137.5305 -109.6378      166.4699 
1 1 1 -4  14 1  o 2169.856 42.09230 120.0802       4.623947  119.5646       6.543053  120.5946       6.535449  2165.159 59.69076 2174.553 59.36381 -9.394531      84.18461 
1 1 1 -4  14 2  o 1253.926 45.24532 40.96203       2.654988  42.31378       3.234876  38.17224       4.647243  1289.532 49.54977 1218.319 75.71906 71.21350       90.49064 
1 1 1 -4  14 3  o 1023.570 39.81750 26.63377       1.907143  27.06406       3.415667  26.43886       2.298857  1027.264 66.02622 1019.875 44.52270 7.389282       79.63499 
1 1 1 -4  14 4  o 1600.177 37.77332 65.20434       3.058053  62.52779       4.328184  67.87238       4.321305  1567.184 54.55093 1633.170 52.26366 -65.98633      75.54664 
1 1 1 -4  14 5  o 456.9219 34.91144 5.375010       0.7919378 5.876178       1.125641  4.883818       1.114383  478.6078 47.06400 435.2360 51.57727 43.37183       69.82288 
1 1 1 -4  14 6  o 1421.897 35.76702 51.41534       2.573534  49.77032       3.648161  53.04488       3.630952  1399.138 51.50267 1444.655 49.64468 -45.51685      71.53404 
1 1 1 -4  14 7  o 1585.499 53.32423 63.94256       4.280301  63.94256       4.280301  0.000000       0.000000  1585.499 53.32423 ?        ?        ?              ?        
1 1 1 -4  14 8  o 1887.842 48.71133 89.48118       4.414016  96.02123       7.677693  86.25228       5.394699  1935.891 78.33688 1839.794 57.91812 96.09741       97.42266 
1 1 1 -4  14 9  o 548.0291 42.73976 7.560768       1.092235  8.339356       1.951872  7.205819       1.317893  566.4543 69.52099 529.6038 49.73509 36.85059       85.47952 
1 1 1 -4  14 10 o 394.3904 40.60423 4.069394       0.7842917 4.255809       1.084968  3.865376       1.135037  404.6598 54.33192 384.1211 60.35609 20.53873       81.20847 
1 1 1 -4  14 11 o 485.6895 39.15845 6.135183       0.9354968 7.124570       1.334717  5.179814       1.311571  525.6868 50.78326 445.6922 59.62045 79.99460       78.31691 
1 1 1 -4  14 12 o 1194.700 46.81727 37.76025       2.595209  39.28178       3.151605  34.55537       4.574025  1238.964 50.24460 1150.435 79.01207 88.52893       93.63454 
1 1 1 -4  14 13 o 881.9256 40.26637 20.45684       1.753078  16.58558       2.537711  23.99071       2.424608  798.2202 63.31622 965.6310 49.76522 -167.4109      80.53274 
1 1 1 -4  14 14 o 993.0703 45.38432 26.88548       2.128207  29.72731       2.688231  22.11358       3.483485  1073.869 49.44606 912.2716 76.11855 161.5973       90.76865 
1 1 1 -4  14 15 o 275.0217 53.94932 1.792415       0.9726883 3.847983       1.361620  -0.3497213     1.389996  374.2807 74.47775 175.7628 78.07165 198.5179       107.8986 
1 1 1 -4  14 16 o 206.2704 57.04979 0.4952163      0.9850391 1.608615       1.265996  -1.212968      1.568103  247.6256 84.33765 164.9153 76.84969 82.71034       114.0996 
1 1 1 -4  14 17 o 308.5139 65.65759 3.297334       1.214182  4.066826       1.277575  -3.884327      3.902986  383.8882 68.23535 233.1396 112.1945 150.7487       131.3152 
1 1 1 -4  14 18 o 255.7525 64.19573 1.752401       1.007807  1.669375       1.245970  1.909504       1.713925  245.9656 83.66844 265.5394 97.38563 -19.57379      128.3915 
1 1 1 -4  14 19 o 341.7526 63.36692 3.572411       1.120448  2.853233       1.525456  4.414937       1.651098  303.1067 91.63272 380.3985 87.54947 -77.29178      126.7338 
1 1 1 -4  14 20 o 429.3710 88.21420 6.900130       1.842939  6.838578       2.032604  7.184541       4.369220  469.4278 88.77864 389.3142 152.4642 80.11365       176.4284 
1 1 1 -4  14 21 o 157.5850 74.07945 -0.9694420     1.511103  -0.9694420     1.511103  0.000000       0.000000  157.5850 74.07945 ?        ?        ?              ?        
1 1 1 -4  15 1  o 1318.051 34.87342 44.18539       2.327054  44.42687       3.292772  43.94445       3.289135  1321.662 49.21047 1314.440 49.42621 7.222656       69.74683 
1 1 1 -4  15 2  o 1570.669 47.20073 62.44181       3.523076  61.44774       4.281687  64.52574       6.199370  1553.678 54.43399 1587.659 77.12702 -33.98083      94.40147 
1 1 1 -4  15 3  o 949.7001 49.13876 23.15927       2.345210  23.78679       3.303882  22.52196       3.329522  962.9758 68.20948 936.4243 70.75264 26.55151       98.27751 
1 1 1 -4  15 4  o 1466.918 36.65145 54.73005       2.721065  56.54191       3.860054  52.94033       3.836390  1491.145 51.13165 1442.692 52.52494 48.45349       73.30290 
1 1 1 -4  15 5  o 1621.901 37.63112 66.94131       3.088694  64.93985       4.378060  68.92460       4.358154  1597.618 54.12838 1646.183 52.29268 -48.56445      75.26225 
1 1 1 -4  15 6  o 1560.353 37.57808 61.95343       2.968237  63.05522       4.203658  60.85785       4.191808  1574.249 52.74365 1546.456 53.54022 27.79321       75.15616 
1 1 1 -4  15 7  o 642.1527 47.21101 10.54367       1.524085  10.54367       1.524085  0.000000       0.000000  642.1527 47.21101 ?        ?        ?              ?        
1 1 1 -4  15 8  o 1469.406 45.79322 56.17162       3.173906  52.88922       5.499520  57.81089       3.886465  1432.707 76.09285 1506.105 50.97015 -73.39819      91.58645 
1 1 1 -4  15 9  o 1177.878 42.60064 35.31052       2.388323  36.40818       4.160029  34.77085       2.916940  1188.262 69.45365 1167.494 49.35025 20.76807       85.20127 
1 1 1 -4  15 10 o 1710.689 39.16013 74.92306       3.391176  73.48710       4.786657  76.37009       4.805090  1694.082 55.81029 1727.295 54.94793 -33.21350      78.32026 
1 1 1 -4  15 11 o 383.7791 45.95618 3.886578       0.8535840 4.763127       1.244801  3.108603       1.172721  426.6955 59.21993 340.8626 70.29142 85.83286       91.91237 
1 1 1 -4  15 12 o 718.2401 44.91796 12.75651       1.510762  11.64381       1.804757  15.36192       2.761652  671.0809 53.56660 765.3994 72.11874 -94.31842      89.83593 
1 1 1 -4  15 13 o 449.8520 44.80200 5.392766       0.9837160 5.713631       1.339895  5.017594       1.448854  466.2772 58.01444 433.4268 68.28764 32.85043       89.60400 
1 1 1 -4  15 14 o 1159.035 46.44340 36.22136       2.524953  37.87379       3.103699  32.98740       4.341966  1209.068 50.70436 1109.002 77.82689 100.0656       92.88680 
1 1 1 -4  15 15 o 496.9860 52.14141 6.767541       1.266513  7.344553       1.777852  6.172976       1.804690  521.0711 69.09722 472.9009 78.10558 48.17017       104.2828 
1 1 1 -4  15 16 o 283.0612 66.19823 2.101232       1.072667  1.654450       1.336968  2.908419       1.797050  250.0820 86.61353 316.0405 100.1345 -65.95851      132.3965 
1 1 1 -4  15 17 o 413.2766 59.74722 4.708367       1.192215  3.585921       1.520598  6.499277       1.920740  349.8562 86.36966 476.6971 82.57846 -126.8409      119.4944 
1 1 1 -4  15 18 o 335.6126 61.79132 2.953587       1.113377  1.436230       1.387879  5.693069       1.864842  234.6685 87.34789 436.5567 87.42434 -201.8882      123.5826 
1 1 1 -4  15 19 o 255.0086 65.62103 1.936596       1.073278  2.009325       1.319987  1.794705       1.843718  257.2121 86.12445 252.8051 99.03057 4.406952       131.2421 
1 1 1 -4  15 20 o 434.2564 68.61581 6.276878       1.466202  5.573921       2.220352  6.820426       1.952433  399.5695 107.4344 468.9434 85.38361 -69.37393      137.2316 
1 1 1 -4  15 21 o 298.8725 76.26793 3.226569       1.461775  2.575693       1.893003  4.187936       2.300630  271.3188 101.8103 326.4262 113.5863 -55.10739      152.5359 
1 1 1 -4  16 1  o 1737.393 39.00018 76.85291       3.429230  79.27804       4.854057  74.43654       4.845283  1764.906 54.32500 1709.880 55.97186 55.02502       78.00036 
1 1 1 -4  16 2  o 1691.370 39.90760 72.84911       3.416441  74.77264       4.836311  70.93309       4.826857  1713.780 55.74110 1668.960 57.12614 44.81982       79.81520 
1 1 1 -4  16 3  o 971.7933 40.73463 23.74142       1.915315  22.78406       2.373788  25.52741       3.242218  945.2539 49.77868 998.3326 64.49281 -53.07874      81.46925 
1 1 1 -4  16 4  o 2053.141 43.37477 107.4802       4.508216  109.2221       6.384309  105.7478       6.366887  2069.833 60.92491 2036.449 61.75468 33.38428       86.74955 
1 1 1 -4  16 5  o 2673.086 50.12433 182.7684       6.782838  185.6443       9.604078  179.9066       9.580728  2694.251 70.40993 2651.921 71.35989 42.32983       100.2487 
1 1 1 -4  16 6  o 2002.678 59.38549 103.2492       6.020980  104.0097       8.517941  102.4897       8.511964  2010.162 83.69892 1995.194 84.26766 14.96826       118.7710 
1 1 1 -4  16 7  o 487.8951 44.49456 6.154208       1.034469  6.053987       1.298284  6.328479       1.711995  484.1186 53.88484 491.6716 70.82011 -7.553070      88.98913 
1 1 1 -4  16 8  o 1357.451 43.08181 46.26406       2.820275  50.38211       4.871262  44.18772       3.458954  1399.664 68.74390 1315.238 51.94656 84.42566       86.16362 
1 1 1 -4  16 9  o 484.4370 41.07175 6.190971       0.9415652 8.348866       1.360169  4.205461       1.304710  569.8708 47.57988 399.0032 66.96052 170.8676       82.14351 
1 1 1 -4  16 10 o 911.5775 34.05191 21.30666       1.565915  21.21582       2.206909  21.39877       2.222247  909.6312 48.09295 913.5237 48.22033 -3.892517      68.10383 
1 1 1 -4  16 11 o 1219.876 35.52412 38.16567       2.193692  37.65339       3.074871  38.69668       3.130577  1211.576 50.12940 1228.176 50.34775 -16.59985      71.04824 
1 1 1 -4  16 12 o 193.0061 56.16165 0.3830599      0.8218806 0.5049180      1.501910  0.3309708      0.9819523 212.5490 87.21960 173.4632 70.77615 39.08585       112.3233 
1 1 1 -4  16 13 o 1035.686 34.25562 27.81100       1.768883  28.15668       2.330542  27.34124       2.716804  1045.751 44.01949 1025.622 52.49833 20.12927       68.51125 
1 1 1 -4  16 14 o 623.1307 48.55263 10.67955       1.450438  11.70970       1.894570  9.220766       2.254527  666.3394 56.69957 579.9221 78.83268 86.41724       97.10526 
1 1 1 -4  16 15 f 645.4318 43.86841 11.11879       1.412456  12.14868       2.067606  10.21762       1.934099  673.9966 61.26256 616.8670 62.80643 57.12964       87.73682 
1 1 1 -4  16 16 o 253.8484 61.58667 1.739642       0.9897158 2.301386       1.330816  1.044475       1.480450  282.6995 85.61518 224.9974 88.55344 57.70215       123.1733 
1 1 1 -4  16 17 o 445.6516 65.38065 5.964322       1.426352  6.174073       2.051731  5.768134       1.984291  453.3920 92.51718 437.9111 92.40720 15.48083       130.7613 
1 1 1 -4  16 18 o 536.7766 57.94740 9.026318       1.397944  10.39378       1.773506  6.782662       2.271708  614.4055 57.69125 459.1478 100.5153 155.2576       115.8948 
1 1 1 -4  16 19 o 230.5116 56.74370 0.9229265      1.057228  3.133239       1.457756  -1.529647      1.535568  312.1749 88.29021 148.8482 71.30378 163.3267       113.4874 
1 1 1 -4  16 20 o 307.9305 76.43591 3.472263       1.484927  3.929557       2.104200  3.018600       2.095832  325.9563 108.7388 289.9047 107.4508 36.05157       152.8718 
1 1 1 -4  17 1  o 1048.880 40.90942 27.83823       2.068853  27.23130       2.558896  28.98373       3.515446  1034.560 48.85551 1063.200 65.63126 -28.64001      81.81884 
1 1 1 -4  17 2  o 828.6074 44.68522 17.98648       1.688881  16.75234       3.057943  18.52816       2.025887  805.0240 75.92717 852.1907 47.13960 -47.16669      89.37045 
1 1 1 -4  17 3  o 1035.200 34.63458 27.30963       1.808222  29.64139       2.584361  25.07335       2.530901  1079.342 47.29449 991.0584 50.61074 88.28326       69.26916 
1 1 1 -4  17 4  o 1249.004 35.74573 39.73643       2.258633  41.86365       3.220723  37.67791       3.168303  1282.035 49.62149 1215.972 51.46589 66.06323       71.49146 
1 1 1 -4  17 5  o 274.7255 50.77600 1.925042       0.7278408 1.295709       0.9640581 2.759235       1.109932  227.6078 73.47308 321.8432 70.10362 -94.23544      101.5520 
1 1 1 -4  17 6  o 972.1797 41.86899 23.91403       1.962862  23.05105       2.426097  25.54942       3.339766  948.9983 50.67960 995.3610 66.66054 -46.36273      83.73798 
1 1 1 -4  17 7  o 424.0401 56.91996 4.685367       1.191104  0.000000       0.000000  4.685367       1.191104  ?        ?        424.0401 56.91996 ?              ?        
1 1 1 -4  17 8  o 313.6151 63.49543 2.649696       1.030427  2.757767       1.267210  2.438778       1.770311  319.7859 78.78508 307.4442 99.59714 12.34171       126.9909 
1 1 1 -4  17 9  o 858.3018 34.55896 18.91371       1.495482  19.03836       2.119380  18.79009       2.110509  861.1417 48.81357 855.4620 48.93387 5.679688       69.11793 
1 1 1 -4  17 10 o 1217.851 36.01010 38.07596       2.219885  39.00847       3.150535  37.15653       3.128366  1232.808 50.47837 1202.893 51.36966 29.91443       72.02020 
1 1 1 -4  17 11 f 347.0056 59.21530 2.927483       0.9559188 2.335895       1.124991  4.463995       1.813040  292.6652 75.44651 401.3459 91.28873 -108.6808      118.4306 
1 1 1 -4  17 12 o 392.3879 54.07451 3.664379       0.9849592 6.301621       1.798290  2.534147       1.177249  481.8051 76.26236 302.9708 76.68288 178.8342       108.1490 
1 1 1 -4  17 13 o 143.4633 46.12090 -0.5432925     0.7333966 -0.3570578     0.9916989 -0.7680928     1.089552  145.6551 65.23425 141.2716 65.21533 4.383575       92.24179 
1 1 1 -4  17 14 o 1109.605 45.40912 32.63530       2.412376  32.05493       2.971447  33.75742       4.131749  1105.138 53.10896 1114.072 73.67084 -8.933838      90.81824 
1 1 1 -4  17 15 o 300.8512 66.87500 2.635162       1.128122  2.761049       1.718155  2.539764       1.495691  306.3024 98.00360 295.4001 91.01843 10.90228       133.7500 
1 1 1 -4  17 16 o 268.0652 76.42339 1.711622       1.167075  1.851086       1.217489  0.1314656      4.098110  254.8451 82.59908 281.2853 128.6061 -26.44014      152.8468 
1 1 1 -4  17 17 o 225.5091 65.88433 0.8879527      1.256092  0.1034933      1.786653  1.654629       1.766286  201.2051 88.98363 249.8132 97.18485 -48.60806      131.7687 
1 1 1 -4  17 18 o 545.0481 60.82133 9.332639       1.434230  9.650789       1.710387  8.579025       2.632399  587.7114 58.25117 502.3849 106.7883 85.32648       121.6427 
1 1 1 -4  17 19 o 696.0811 61.77367 16.37796       1.726651  18.30744       2.058834  11.80338       3.170125  817.4587 49.98779 574.7034 112.9830 242.7553       123.5473 
1 1 1 -4  17 20 o 181.3597 58.17912 -0.1718692E-01 1.158772  -0.1993060     1.682871  0.1470111      1.597928  178.9022 82.02249 183.8172 82.53213 -4.915039      116.3582 
1 1 1 -4  18 1  o 562.3145 52.08661 8.135249       1.465983  8.135249       1.465983  0.000000       0.000000  562.3145 52.08661 ?        ?        ?              ?        
1 1 1 -4  18 2  o 775.6053 50.70787 15.49691       1.921099  16.01495       3.089022  15.17018       2.453238  784.3276 78.86171 766.8831 63.76506 17.44452       101.4157 
1 1 1 -4  18 3  o 219.2295 46.67411 1.242775       0.5892377 1.699478       0.7891130 0.6672084      0.8858706 252.6008 62.13389 185.8582 69.66541 66.74258       93.34822 
1 1 1 -4  18 4  o 662.9834 52.89941 11.30368       1.760785  11.30368       1.760785  0.000000       0.000000  662.9834 52.89941 ?        ?        ?              ?        
1 1 1 -4  18 5  o 631.2402 42.29653 10.40042       1.298774  10.73534       1.674366  9.894502       2.057871  645.9596 51.63046 616.5209 67.00957 29.43866       84.59306 
1 1 1 -4  18 6  o 601.3445 49.14463 9.305655       1.483101  9.305655       1.483101  0.000000       0.000000  601.3445 49.14463 ?        ?        ?              ?        
1 1 1 -4  18 7  o 972.4891 48.51649 24.19590       2.388679  0.000000       0.000000  24.19590       2.388679  ?        ?        972.4891 48.51649 ?              ?        
1 1 1 -4  18 8  o 794.5916 42.58553 16.39777       1.611673  16.24517       2.742442  16.47828       1.991945  788.7446 69.38393 800.4387 49.39615 -11.69409      85.17106 
1 1 1 -4  18 9  o 207.3354 52.59298 0.9139213      0.7331516 1.407125       0.9976550 0.3348475      1.081021  233.7692 74.66715 180.9017 74.08712 52.86757       105.1860 
1 1 1 -4  18 10 o 759.8922 35.75983 14.92722       1.366510  15.87237       1.968356  14.04787       1.898606  783.4026 49.88859 736.3818 51.24636 47.02081       71.51965 
1 1 1 -4  18 11 o 534.7422 54.10823 7.940690       1.284345  8.264479       1.545829  7.218975       2.307881  561.2830 55.11036 508.2014 93.13242 53.08154       108.2165 
1 1 1 -4  18 12 o 680.5566 46.78787 12.50900       1.472933  12.02852       2.581399  12.74095       1.793565  663.4314 78.36906 697.6819 51.13425 -34.25055      93.57574 
1 1 1 -4  18 13 o 923.4808 36.61913 22.43930       1.693652  25.84471       2.420009  19.17011       2.371112  995.3636 48.02324 851.5979 55.29566 143.7657       73.23826 
1 1 1 -4  18 14 o 336.5034 60.17103 3.381411       1.030810  3.837903       1.343003  2.726892       1.608130  368.4766 74.55192 304.5302 94.46810 63.94635       120.3421 
1 1 1 -4  18 15 o 195.9467 57.83331 0.3489828      0.9844504 1.062559       1.412063  -0.3258513     1.373196  221.0275 86.64302 170.8659 76.62736 50.16165       115.6666 
1 1 1 -4  18 16 o 193.8249 62.44342 0.5669311E-01  1.071738  0.4419905      1.141812  -2.796495      3.107146  180.9718 75.32054 206.6780 99.61697 -25.70622      124.8868 
1 1 1 -4  18 17 o 224.5697 66.68742 1.018627       1.290335  1.401412       1.828014  0.6385147      1.821622  236.4070 96.52543 212.7324 92.04178 23.67462       133.3748 
1 1 1 -4  18 18 o 351.7960 67.94372 4.599481       1.313608  5.391657       1.596674  2.940162       2.310842  418.4380 78.24722 285.1540 111.0980 133.2840       135.8874 
1 1 1 -4  18 19 o 588.7207 62.50691 11.25968       1.621495  11.41120       1.952474  10.92291       2.910886  627.4222 62.29033 550.0192 108.3899 77.40295       125.0138 
1 1 1 -4  18 20 o 407.6120 68.82911 6.160349       1.571560  2.949545       2.107112  10.18550       2.359240  268.5079 105.6561 546.7162 88.24155 -278.2083      137.6582 
1 1 1 -4  19 1  o 423.4786 107.6871 4.927604       2.313998  4.927604       2.313998  0.000000       0.000000  423.4786 107.6871 ?        ?        ?              ?        
1 1 1 -4  19 2  o 813.1686 49.23882 16.45987       1.953223  20.44430       3.256454  14.22095       2.441072  886.1422 73.24336 740.1951 65.82748 145.9471       98.47765 
1 1 1 -4  19 3  o 1170.631 41.61419 34.67328       2.374355  33.13233       2.961318  37.44710       3.973110  1137.647 51.41547 1203.615 65.44779 -65.96777      83.22839 
1 1 1 -4  19 4  o 973.5483 40.92337 24.65585       1.925310  25.33184       2.422567  23.49685       3.172104  995.1864 48.08257 951.9103 66.23409 43.27606       81.84673 
1 1 1 -4  19 5  o 1352.118 44.33333 47.68186       2.878544  48.82273       3.585038  45.61170       4.829206  1380.143 51.30811 1324.093 72.31358 56.05005       88.66666 
1 1 1 -4  19 6  o 709.8591 56.50684 13.28550       1.990993  14.47467       2.890903  12.21250       2.746056  740.9384 78.25065 678.7798 81.54095 62.15863       113.0137 
1 1 1 -4  19 7  o 367.2694 65.04765 3.592602       1.165215  0.000000       0.000000  3.592602       1.165215  ?        ?        367.2694 65.04765 ?              ?        
1 1 1 -4  19 8  o 573.5046 37.80952 8.557686       1.083806  8.262226       1.549522  8.840678       1.516478  563.2831 55.03923 583.7263 51.85483 -20.44318      75.61905 
1 1 1 -4  19 9  o 874.4959 42.92587 19.81824       1.792828  20.59098       3.077883  19.42141       2.205636  883.0457 69.40634 865.9462 50.53001 17.09949       85.85175 
1 1 1 -4  19 10 o 496.9393 46.19457 6.757678       1.090431  4.955667       1.563573  8.464001       1.521493  425.6873 75.30634 568.1912 53.52296 -142.5039      92.38914 
1 1 1 -4  19 11 o 1335.292 48.25234 48.56475       3.026240  50.48135       3.717923  44.80204       5.209383  1389.817 52.83956 1280.768 80.75353 109.0488       96.50468 
1 1 1 -4  19 12 o 249.6651 61.35768 1.455167       0.8999407 2.346820       1.613671  1.052643       1.084208  288.1282 95.18184 211.2021 77.45630 76.92618       122.7154 
1 1 1 -4  19 13 o 299.9979 58.88780 2.610298       0.9334716 2.207189       1.313089  3.022169       1.327282  276.9702 85.27196 323.0256 81.23906 -46.05545      117.7756 
1 1 1 -4  19 14 o 382.7122 63.42917 4.121987       1.158237  3.492745       1.416194  5.393098       2.012825  344.7385 82.28451 420.6860 96.55206 -75.94754      126.8583 
1 1 1 -4  19 15 o 367.7571 68.60105 4.198641       1.277767  4.661969       2.012588  3.885768       1.653844  380.9345 102.2258 354.5797 91.51121 26.35486       137.2021 
1 1 1 -4  19 16 o 294.0568 72.61022 2.938323       1.300430  3.208162       1.470667  1.970998       2.784510  317.7916 88.26137 270.3220 115.3209 47.46954       145.2204 
1 1 1 -4  19 17 o 214.0512 59.14706 1.171463       1.013495  1.896099       1.237986  -0.3011716     1.764832  245.2538 83.40009 182.8487 83.89235 62.40503       118.2941 
1 1 1 -4  19 18 o 406.4373 63.07933 5.983054       1.254702  7.111538       1.567694  3.971992       2.092793  492.1073 64.47530 320.7672 108.4387 171.3401       126.1587 
1 1 1 -4  19 19 o 221.1366 63.81154 1.367341       1.246435  2.352796       1.560128  -0.3716479     2.072479  255.8883 93.05474 186.3850 87.34109 69.50325       127.6231 
1 1 1 -4  20 1  o 869.4163 52.70195 20.06187       2.230536  21.04397       2.885085  18.60260       3.516798  900.3361 63.70646 838.4965 83.97303 61.83960       105.4039 
1 1 1 -4  20 2  o 1263.201 48.42880 41.67486       2.830327  40.86905       5.111274  42.03121       3.399023  1246.952 81.41152 1279.450 52.47437 -32.49817      96.85760 
1 1 1 -4  20 3  o 634.8361 40.14716 10.43706       1.273396  11.46052       1.840127  9.496538       1.763993  665.3074 55.12800 604.3646 58.37878 60.94281       80.29432 
1 1 1 -4  20 4  o 743.2148 35.11757 14.24099       1.310645  13.04845       1.838369  15.47370       1.869076  710.9531 51.42190 775.4766 47.84102 -64.52350      70.23514 
1 1 1 -4  20 5  o 279.0251 47.15011 2.079222       0.6877050 1.135712       0.9501343 3.117389       0.9966562 215.3914 73.06448 342.6588 59.61639 -127.2675      94.30022 
1 1 1 -4  20 6  o 213.6138 57.16771 0.8675411      0.9020392 1.510854       1.044897  -1.014449      1.787192  240.8644 76.35976 186.3631 85.09863 54.50137       114.3354 
1 1 1 -4  20 7  o 329.5305 55.60492 3.002521       0.9106647 2.794771       1.383329  3.161417       1.209794  318.2078 84.46175 340.8531 72.34528 -22.64529      111.2098 
1 1 1 -4  20 8  o 360.3936 49.33330 3.574874       0.8636168 4.866959       1.240992  2.361517       1.202590  428.3832 58.76955 292.4039 79.25426 135.9794       98.66660 
1 1 1 -4  20 9  o 484.0271 62.24184 7.319215       1.273328  4.923165       2.391550  8.267171       1.504270  407.3466 112.3311 560.7075 53.64622 -153.3609      124.4837 
1 1 1 -4  20 10 o 595.3027 46.64061 9.173617       1.321383  10.86970       2.293164  8.330512       1.616786  631.1694 73.11794 559.4360 57.92369 71.73346       93.28122 
1 1 1 -4  20 11 o 477.5932 66.41669 7.514655       1.369195  8.560095       1.610910  4.793864       2.598778  565.8431 57.00966 389.3433 119.9775 176.4998       132.8334 
1 1 1 -4  20 12 o 896.6089 44.73781 21.18207       1.924358  19.81665       2.359604  23.89385       3.325329  862.2849 54.32891 930.9329 71.09330 -68.64807      89.47562 
1 1 1 -4  20 13 o 267.8199 51.74098 2.003062       0.9029950 3.674379       1.204518  -0.1414993     1.364436  360.5751 68.48764 175.0646 77.57551 185.5105       103.4820 
1 1 1 -4  20 14 o 280.0168 65.70425 2.324231       1.022140  2.268450       1.205190  2.467170       1.929248  275.6147 81.00512 284.4191 103.4716 -8.804413      131.4085 
1 1 1 -4  20 15 o 281.9817 68.20069 2.419283       1.189509  3.535786       1.829025  1.600916       1.565898  324.6199 100.7553 239.3435 91.94401 85.27635       136.4014 
1 1 1 -4  20 16 o 201.7947 56.99289 0.7453772      0.9426616 -0.2438965     1.297838  1.850063       1.371456  161.2245 73.19175 242.3649 87.38264 -81.14030      113.9858 
1 1 1 -4  20 17 o 333.9368 68.36492 4.117041       1.252428  4.607605       1.603474  3.349513       2.005676  372.5048 86.65746 295.3688 105.7617 77.13599       136.7298 
1 1 1 -4  20 18 o 364.9644 75.43487 4.916867       1.478654  3.531733       1.865928  7.254970       2.424270  300.7317 102.3890 429.1971 110.8069 -128.4655      150.8697 
1 1 1 -4  21 1  o 312.0882 78.74059 2.661246       1.244064  0.000000       0.000000  2.661246       1.244064  ?        ?        312.0882 78.74059 ?              ?        
1 1 1 -4  21 2  o 484.3893 43.36563 6.269906       1.015575  5.596940       1.546276  6.780426       1.346780  458.5220 68.72821 510.2566 52.90318 -51.73453      86.73127 
1 1 1 -4  21 3  o 348.1038 50.28769 3.318092       0.8549404 2.730928       1.236086  3.856586       1.183748  315.8968 77.80219 380.3108 63.73561 -64.41397      100.5754 
1 1 1 -4  21 4  o 478.9201 44.72801 6.090671       1.048227  5.881728       1.570453  6.258550       1.407700  469.7904 68.00777 488.0499 58.11474 -18.25949      89.45602 
1 1 1 -4  21 5  o 1218.365 43.73973 38.77147       2.566148  38.80505       4.324237  38.75321       3.188225  1212.296 70.76332 1224.434 51.43158 -12.13843      87.47945 
1 1 1 -4  21 6  o 486.1370 47.95636 6.641373       1.081810  4.875075       1.657386  7.952487       1.427947  420.6337 80.76418 551.6403 51.73392 -131.0066      95.91273 
1 1 1 -4  21 7  f 486.9902 42.50280 6.303042       1.023921  5.865390       1.424418  6.770983       1.472884  468.7451 61.50750 505.2352 58.67519 -36.49005      85.00559 
1 1 1 -4  21 8  o 532.5016 49.47758 7.699360       1.261239  7.708066       2.037616  7.693954       1.605838  528.1188 78.60527 536.8844 60.11103 -8.765625      98.95516 
1 1 1 -4  21 9  o 541.2915 43.64760 7.914616       1.158178  6.540060       1.618497  9.357159       1.658040  489.5891 67.06001 592.9938 55.88745 -103.4047      87.29520 
1 1 1 -4  21 10 o 790.4857 38.80110 16.78174       1.525243  14.43103       2.193699  18.98156       2.122121  732.6817 59.65756 848.2896 49.62939 -115.6079      77.60220 
1 1 1 -4  21 11 o 194.9634 55.62225 0.6417198      0.8455408 0.8596095      1.250574  0.4582346      1.147602  206.0043 81.28966 183.9225 75.94292 22.08186       111.2445 
1 1 1 -4  21 12 o 172.4967 53.12117 -0.9285091E-02 0.8809806 -0.4304939     1.240622  0.4191613      1.251235  158.2859 71.74119 186.7076 78.36223 -28.42162      106.2423 
1 1 1 -4  21 13 o 232.3958 65.21168 1.255539       1.109816  1.596078       1.835439  1.059277       1.393394  248.6450 98.36464 216.1465 85.64256 32.49847       130.4234 
1 1 1 -4  21 14 o 356.6876 69.08024 4.095906       1.228200  3.843835       1.492565  4.624552       2.161496  350.6866 84.96255 362.6886 108.9481 -12.00195      138.1605 
1 1 1 -4  21 15 o 199.9064 59.16203 0.6686440      1.006802  1.513253       1.566152  0.7376698E-01  1.314376  228.9816 90.77496 170.8311 75.89790 58.15045       118.3241 
1 1 1 -4  21 16 o 236.6627 64.33720 1.425877       1.340263  -1.484868      2.122774  3.355339       1.728303  172.2169 82.84377 301.1085 98.45816 -128.8916      128.6744 
1 1 1 -4  21 17 o 170.3098 57.00109 -0.6604388     1.248452  -1.349718      2.240113  -0.3498908     1.503615  176.1566 84.82725 164.4630 76.16322 11.69366       114.0022 
1 1 1 -4  21 18 o 213.0259 63.65376 1.401166       1.260010  2.083897       1.498024  -0.2500205     2.329657  236.7901 90.17477 189.2617 89.86498 47.52834       127.3075 
1 1 1 -4  22 1  o 295.4769 74.05543 2.403862       1.105628  0.000000       0.000000  2.403862       1.105628  ?        ?        295.4769 74.05543 ?              ?        
1 1 1 -4  22 2  o 502.4312 45.29179 6.719395       1.121008  6.736383       1.661716  6.705206       1.518620  501.8539 67.08156 503.0084 60.87241 -1.154572      90.58359 
1 1 1 -4  22 3  o 439.8590 47.64177 5.217198       1.025345  5.019186       1.473107  5.403284       1.428057  430.6003 69.97605 449.1178 64.67073 -18.51746      95.28353 
1 1 1 -4  22 4  o 303.8307 54.76811 2.562662       0.8463858 2.292514       1.170950  2.858232       1.224806  287.1275 78.36380 320.5339 76.53300 -33.40634      109.5362 
1 1 1 -4  22 5  o 586.9373 56.10605 8.732125       1.539308  7.315096       1.850045  11.92015       2.774938  518.3527 72.47982 655.5217 85.66348 -137.1690      112.2121 
1 1 1 -4  22 6  o 395.1716 71.80182 4.313675       1.383585  0.000000       0.000000  4.313675       1.383585  ?        ?        395.1716 71.80182 ?              ?        
1 1 1 -4  22 7  o 594.0090 39.38865 9.367416       1.160967  7.958553       1.599663  10.93538       1.687572  544.8708 58.92846 643.1472 52.28097 -98.27637      78.77731 
1 1 1 -4  22 8  o 407.2942 52.77254 4.646488       1.044765  5.029925       1.556552  4.332111       1.409422  422.3384 75.57258 392.2499 73.67868 30.08850       105.5451 
1 1 1 -4  22 9  o 428.5523 51.85762 5.195010       1.078058  5.130257       1.610144  5.247623       1.451393  423.2475 78.01717 433.8571 68.33866 -10.60968      103.7152 
1 1 1 -4  22 10 o 375.3166 61.69889 4.592852       1.159936  5.574103       1.449687  2.846846       1.933780  446.9172 66.06230 303.7160 104.2247 143.2012       123.3978 
1 1 1 -4  22 11 o 216.3745 64.72764 0.7688844      1.147834  -0.2013368     2.344334  1.074814       1.316421  217.6690 98.64056 215.0799 83.83739 2.589127       129.4553 
1 1 1 -4  22 12 o 508.5807 63.45440 8.003905       1.423921  7.705527       2.606703  8.130805       1.699961  479.2838 109.7861 537.8777 63.66195 -58.59384      126.9088 
1 1 1 -4  22 13 o 469.1778 50.63288 6.435279       1.160733  5.945485       1.566065  7.032336       1.729063  449.6251 71.16734 488.7305 72.04141 -39.10535      101.2658 
1 1 1 -4  22 14 o 182.1605 81.73248 0.9670939E-01  1.564286  0.9670939E-01  1.564286  0.000000       0.000000  182.1605 81.73248 ?        ?        ?              ?        
1 1 1 -4  22 15 f 217.2372 66.84882 0.5579935      1.548544  2.674810       2.087347  -2.033137      2.309392  263.8317 104.7313 170.6426 83.10484 93.18915       133.6976 
1 1 1 -4  22 16 o 231.8142 67.72237 1.162421       1.405994  -0.7362960     1.861699  3.683009       2.145015  170.6749 80.83311 292.9535 108.6798 -122.2785      135.4447 
1 1 1 -4  22 17 o 246.7467 66.22137 2.313545       1.115265  2.031660       1.418366  2.770105       1.805099  234.9291 88.13273 258.5642 98.86204 -23.63515      132.4427 
1 1 1 -4  23 1  o 618.8159 62.93931 10.72246       1.595116  10.88345       3.297687  10.67328       1.822512  603.6644 112.0268 633.9673 57.40586 -30.30292      125.8786 
1 1 1 -4  23 2  o 390.5604 65.52901 4.503774       1.176452  4.143224       2.268610  4.636401       1.375919  369.9980 111.7212 411.1228 68.51701 -41.12485      131.0580 
1 1 1 -4  23 3  o 335.1391 62.84337 4.014941       1.134168  4.811948       1.237236  -0.1796308     2.838346  422.4801 59.49223 247.7981 110.7151 174.6820       125.6867 
1 1 1 -4  23 4  o 582.2647 40.68790 9.021844       1.180839  8.335399       1.609648  9.821760       1.737601  558.0544 57.81177 606.4750 57.26971 -48.42065      81.37580 
1 1 1 -4  23 5  f 183.7066 59.14984 -0.1398415     0.7904577 -0.1582251     0.8408269 -0.4508697E-04 2.318666  138.8420 61.24160 228.5712 101.2140 -89.72922      118.2997 
1 1 1 -4  23 6  o 370.4226 66.18911 5.026453       1.417736  0.4600853      2.881566  6.484840       1.628469  256.9438 113.3518 483.9014 68.37665 -226.9575      132.3782 
1 1 1 -4  23 7  o 216.1797 56.92176 1.057132       0.8865665 1.727636       1.186517  0.2095980      1.333988  247.4626 81.61127 184.8968 79.37220 62.56580       113.8435 
1 1 1 -4  23 8  o 361.7354 56.72412 3.887517       1.021687  4.861695       1.443185  2.908740       1.446588  413.3376 71.55688 310.1333 88.03475 103.2043       113.4482 
1 1 1 -4  23 9  o 165.9857 51.09373 -0.8281130E-01 0.8232520 0.5417893      1.194788  -0.6474065     1.135947  187.5617 77.47050 144.4096 66.63780 43.15210       102.1875 
1 1 1 -4  23 10 o 313.5684 68.63776 2.977876       1.138009  2.585622       1.375185  3.830117       2.027021  289.2488 86.90359 337.8879 106.2654 -48.63910      137.2755 
1 1 1 -4  23 11 o 214.9590 95.90813 0.2931008      2.121927  0.000000       0.000000  0.2931008      2.121927  ?        ?        214.9590 95.90813 ?              ?        
1 1 1 -4  23 12 o 281.2820 68.82816 2.686901       1.191143  2.490215       1.905006  2.813161       1.526306  272.0121 102.1204 290.5519 92.30755 -18.53983      137.6563 
1 1 1 -4  23 13 o 459.4685 76.23773 7.831183       1.752267  6.735433       2.432865  9.012354       2.525914  416.1770 112.6937 502.7600 102.7078 -86.58301      152.4755 
1 1 1 -4  23 14 o 242.1965 67.13725 1.945028       1.131356  1.566971       1.367621  2.764616       2.013653  220.5371 85.59405 263.8558 103.4568 -43.31876      134.2745 
1 1 1 -4  23 15 o 223.4566 71.12975 1.449995       1.681626  1.682080       2.113550  1.049621       2.776019  226.3205 98.53088 220.5928 102.6130 5.727676       142.2595 
1 1 1 -4  23 16 o 211.9626 62.97951 1.115620       1.268649  -0.6441828     1.814146  2.799886       1.774784  165.8211 78.90070 258.1042 98.18530 -92.28308      125.9590 
1 1 1 -4  24 1  o 211.3463 50.85937 1.177127       0.6439923 1.146310       0.8389856 1.221325       1.004750  206.9540 68.64431 215.7386 75.06437 -8.784683      101.7187 
1 1 1 -4  24 2  o 345.4850 84.82880 3.554666       1.873372  2.010551       2.473541  5.631841       2.868903  283.1523 113.4753 407.8177 126.1232 -124.6655      169.6576 
1 1 1 -4  24 3  o 438.0181 68.26282 4.575105       1.160474  3.892987       1.262834  8.278425       2.942472  371.2753 69.74506 504.7609 117.3664 -133.4856      136.5256 
1 1 1 -4  24 4  o 256.8335 71.47569 1.622952       1.129933  0.9481190      2.993631  1.735064       1.220188  266.1400 116.5264 247.5270 82.80510 18.61298       142.9514 
1 1 1 -4  24 5  o 458.1601 83.55128 7.103392       1.964647  7.840448       2.684519  6.253349       2.882943  493.0608 110.3025 423.2595 125.5254 69.80130       167.1026 
1 1 1 -4  24 6  o 773.5050 59.41125 17.74602       1.979232  16.78836       3.751842  18.11529       2.329790  730.5259 104.4143 816.4841 56.71371 -85.95819      118.8225 
1 1 1 -4  24 7  o 379.3180 59.96204 4.399937       1.123302  4.832175       1.540250  3.908834       1.641785  404.7365 77.99677 353.8995 91.09495 50.83704       119.9241 
1 1 1 -4  24 8  o 333.9832 59.82045 3.456589       1.031113  2.652823       1.454474  4.268674       1.461983  290.6909 89.78674 377.2756 79.07140 -86.58472      119.6409 
1 1 1 -4  24 9  f 527.7891 54.77349 8.301658       1.374268  8.138020       2.199473  8.406453       1.760141  512.5035 87.93556 543.0746 65.32901 -30.57111      109.5470 
1 1 1 -4  24 10 o 246.9260 88.48075 1.885594       1.404032  1.885594       1.404032  0.000000       0.000000  246.9260 88.48075 ?        ?        ?              ?        
1 1 1 -4  24 11 o 364.3465 80.41433 5.259073       1.759369  3.442357       2.503230  7.032587       2.473287  295.3509 115.4753 433.3420 111.9433 -137.9911      160.8287 
1 1 1 -4  24 12 o 301.9292 62.51225 3.295988       1.137710  4.665816       1.545011  1.673290       1.681580  374.5746 83.59255 229.2838 92.96996 145.2908       125.0245 
1 1 1 -4  24 13 f 302.5985 74.64683 3.624182       1.331698  2.986773       1.612553  4.991197       2.361519  277.4540 95.17741 327.7430 115.0211 -50.28897      149.2937 
1 1 1 -4  24 14 o 187.2311 57.37351 0.6464341      1.033626  -0.1395994     1.432982  1.498960       1.492361  161.9317 74.76592 212.5305 87.04560 -50.59883      114.7470 
1 1 1 -4  24 15 o 254.5276 75.92638 3.201864       1.693591  3.751975       2.353927  2.611508       2.438512  270.2532 109.8468 238.8020 104.8473 31.45119       151.8528 
1 1 1 -4  24 16 o 210.0729 61.55732 1.512769       1.050647  0.7509704      1.319830  2.830629       1.735932  175.0818 76.99662 245.0639 96.06631 -69.98207      123.1146 
1 1 1 -4  25 1  o 184.2719 50.10647 0.7588763      0.6589132 0.9261278      0.8426428 0.4956643      1.057088  190.4838 68.51527 178.0601 73.13201 12.42372       100.2129 
1 1 1 -4  25 2  o 177.1793 50.46345 0.4978487      0.6731166 0.2726822      0.8396156 0.9029008      1.126118  154.7962 64.52109 199.5624 77.60971 -44.76611      100.9269 
1 1 1 -4  25 3  o 284.8195 56.40965 2.469494       0.8436139 2.624879       1.093242  2.240774       1.326370  298.3417 72.98109 271.2974 86.03461 27.04431       112.8193 
1 1 1 -4  25 4  o 366.6581 56.06378 4.188219       1.021793  5.363688       1.391230  2.811532       1.505604  434.7491 65.22070 298.5672 91.20773 136.1819       112.1276 
1 1 1 -4  25 5  o 247.4177 63.38973 1.897229       1.097009  2.506905       1.186578  -1.689840      2.878172  286.9140 79.12559 207.9214 99.05640 78.99260       126.7795 
1 1 1 -4  25 6  o 289.9990 67.29063 2.931698       1.204667  3.469779       1.368356  1.077654       2.540009  335.5182 81.38927 244.4799 107.1816 91.03828       134.5813 
1 1 1 -4  25 7  o 485.7444 73.91531 6.998855       1.760381  0.000000       0.000000  6.998855       1.760381  ?        ?        485.7444 73.91531 ?              ?        
1 1 1 -4  25 8  o 241.2874 65.59377 1.680207       1.095406  1.404230       1.377240  2.155398       1.807205  223.6297 86.14470 258.9452 98.94070 -35.31541      131.1875 
1 1 1 -4  25 9  o 287.9846 61.01846 2.658749       1.127972  4.541729       1.585870  0.7308281      1.604684  373.7569 85.64500 202.2123 86.93642 171.5446       122.0369 
1 1 1 -4  25 10 o 280.2994 65.32203 2.787063       1.070099  2.899772       1.613515  2.698560       1.429785  282.6522 95.21716 277.9467 89.45146 4.705505       130.6441 
1 1 1 -4  25 11 o 396.9247 59.09697 5.394327       1.152077  6.245298       1.613592  4.509434       1.645440  440.8107 74.98870 353.0388 91.35919 87.77197       118.1939 
1 1 1 -4  25 12 o 202.2225 60.82273 1.178183       1.091510  0.8795999      1.506970  1.507695       1.583099  191.5031 83.28553 212.9420 88.66306 -21.43887      121.6455 
1 1 1 -4  25 13 o 165.6073 55.61908 -0.4600672     1.145620  -0.8087875     1.377414  0.3225197      2.063442  143.1696 68.29561 188.0450 87.80455 -44.87541      111.2382 
1 1 1 -4  25 14 o 273.5749 71.55066 2.529497       1.644987  -1.125094      2.172779  7.437346       2.517919  165.7093 80.68191 381.4406 118.1881 -215.7313      143.1013 
1 1 1 -4  25 15 o 208.7711 63.29233 1.426522       1.294818  3.476634       1.905420  -0.3324313     1.764937  257.2257 100.6983 160.3166 76.70416 96.90912       126.5847 
1 1 1 -4  26 1  o 190.4636 50.31434 0.6703635      0.6726608 0.6906737E-01  0.8489541 1.684602       1.102580  144.6077 62.70033 236.3194 78.70706 -91.71172      100.6287 
1 1 1 -4  26 2  o 347.5018 53.41965 3.638070       0.9052602 3.456721       1.193262  3.883967       1.389488  340.0427 71.57815 354.9609 79.31712 -14.91821      106.8393 
1 1 1 -4  26 3  o 297.8023 56.28268 2.717812       0.9470530 1.318579       1.302739  4.286112       1.379199  219.1538 83.94021 376.4508 75.00002 -157.2970      112.5654 
1 1 1 -4  26 4  o 334.3080 76.12091 3.836327       1.298116  3.677189       1.441587  4.518561       2.984841  339.5674 84.25666 329.0486 126.8006 10.51883       152.2418 
1 1 1 -4  26 5  o 185.0175 60.09624 -0.1718715     1.152416  -0.9997499E-01 2.228055  -0.1981307     1.346521  204.5949 94.01404 165.4400 74.88385 39.15489       120.1925 
1 1 1 -4  26 6  o 307.5974 63.56413 3.149605       1.040162  2.914452       1.357209  3.484335       1.619266  297.3816 85.55254 317.8133 94.03381 -20.43170      127.1283 
1 1 1 -4  26 7  o 193.0817 57.18770 0.6860654      0.9513928 1.305580       1.407523  0.1649071      1.290966  215.3392 85.83736 170.8243 75.58888 44.51492       114.3754 
1 1 1 -4  26 8  o 230.0541 56.92900 1.255335       1.150524  3.349960       1.428969  -2.604995      1.939911  311.3233 87.19202 148.7849 73.22021 162.5385       113.8580 
1 1 1 -4  26 9  o 294.2349 78.89730 4.119516       1.740923  2.753051       2.941975  4.855861       2.159635  253.5719 113.0481 334.8978 110.0875 -81.32590      157.7946 
1 1 1 -4  26 10 o 227.6911 60.94239 1.843389       1.276316  -3.140482      2.779593  3.174934       1.436732  166.7043 83.00871 288.6780 89.24939 -121.9737      121.8848 
1 1 1 -4  26 11 o 144.0268 48.37728 -0.7144362     0.9602782 -1.126833      1.346870  -0.2880721     1.369489  135.1388 65.24613 152.9147 71.44500 -17.77586      96.75456 
1 1 1 -4  26 12 o 315.6661 69.45905 4.369763       1.236483  4.539498       1.656019  4.155916       1.858796  332.7280 94.10274 298.6043 102.1906 34.12375       138.9181 
1 1 1 -4  26 13 o 279.6998 95.68633 3.542619       1.629702  3.542619       1.629702  0.000000       0.000000  279.6998 95.68633 ?        ?        ?              ?        
1 1 1 -4  26 14 o 220.5794 70.00323 1.872382       1.676893  -0.7280378     2.158710  5.829129       2.662820  161.3188 78.94682 279.8399 115.6253 -118.5210      140.0065 
1 1 1 -4  27 1  o 150.6873 51.55322 -0.4574503     0.7593677 -0.2445530     0.7950538 -2.670576      2.563389  126.5318 57.38213 174.8427 85.66348 -48.31084      103.1064 
1 1 1 -4  27 2  o 231.2343 59.12650 1.490304       0.8675846 0.9285362      1.070099  2.567867       1.482063  190.6365 75.20512 271.8320 91.25765 -81.19554      118.2530 
1 1 1 -4  27 3  o 302.1423 63.40947 2.882889       0.9978229 2.198926       1.212868  4.315344       1.755246  257.4095 82.33933 346.8750 96.45351 -89.46545      126.8189 
1 1 1 -4  27 4  o 274.8922 74.50354 1.835454       1.028220  1.301385       1.097379  5.676373       2.942899  208.1813 77.63445 341.6030 127.1849 -133.4218      149.0071 
1 1 1 -4  27 5  o 358.1952 91.10371 4.527181       1.655954  0.000000       0.000000  4.527181       1.655954  ?        ?        358.1952 91.10371 ?              ?        
1 1 1 -4  27 6  o 240.6555 60.46714 2.013769       0.9620045 1.347848       1.391467  2.623506       1.331475  210.1730 84.79799 271.1381 86.22298 -60.96507      120.9343 
1 1 1 -4  27 7  o 197.1945 60.46434 0.6742849      1.039394  2.138560       1.877245  0.2694235E-01  1.248178  235.7775 97.21929 158.6115 71.91771 77.16603       120.9287 
1 1 1 -4  27 8  o 248.3682 65.07089 2.504441       1.089714  2.374458       1.596007  2.617955       1.491474  241.6376 92.82410 255.0987 91.21716 -13.46107      130.1418 
1 1 1 -4  27 9  o 193.6351 61.26075 0.9593457      1.173576  0.5976709      1.447318  1.653650       2.005303  176.2372 78.87801 211.0330 93.75382 -34.79579      122.5215 
1 1 1 -4  27 10 o 156.9392 54.78065 -1.578932      1.506346  -2.579848      2.719262  -1.135806      1.809322  162.1621 80.96372 151.7163 73.81434 10.44577       109.5613 
1 1 1 -4  27 11 f 150.1648 49.88291 -0.9023401     1.117451  0.8650492      1.354719  -4.664798      1.976600  178.0012 78.15039 122.3284 62.01398 55.67275       99.76582 
1 1 1 -4  27 12 f 138.4455 48.53474 -1.789513      1.235912  -1.860570      2.031388  -1.747753      1.557300  146.1952 72.48795 130.6959 64.55992 15.49930       97.06949 
1 1 1 -4  27 13 o 182.5394 61.95622 1.094728       1.670188  0.4066240      2.422830  1.717822       2.305539  173.8019 84.74811 191.2769 90.39941 -17.47501      123.9124 
1 1 1 -4  28 1  o 255.3023 58.98381 2.208459       0.8805357 1.557393       1.131838  3.206648       1.401453  215.3198 79.11318 295.2849 87.50695 -79.96510      117.9676 
1 1 1 -4  28 2  o 171.4322 52.22530 0.4569419      0.8037766 0.9644373E-01  1.022422  1.040232       1.300532  149.5014 66.64792 193.3629 80.42377 -43.86156      104.4506 
1 1 1 -4  28 3  o 259.7958 59.31181 2.304671       0.8875943 1.610589       1.126238  3.442472       1.441976  216.5628 79.01584 303.0288 88.47632 -86.46600      118.6236 
1 1 1 -4  28 4  o 332.7809 60.66490 3.907130       1.018128  3.134804       1.303245  5.116715       1.630962  292.2833 83.76141 373.2785 87.77783 -80.99524      121.3298 
1 1 1 -4  28 5  o 173.7173 51.55959 0.5810214      0.8699898 1.453367       1.083313  -1.003541      1.460039  204.9034 76.99271 142.5311 68.59801 62.37231       103.1192 
1 1 1 -4  28 6  o 151.3430 49.74180 -0.2892786     0.9252092 0.5076824      1.370699  -0.9562776     1.253967  170.7527 76.56843 131.9334 63.51583 38.81929       99.48360 
1 1 1 -4  28 7  o 380.3980 63.98305 5.698871       1.221458  7.117536       1.841861  4.585165       1.631933  430.9544 87.40900 329.8416 93.46117 101.1128       127.9661 
1 1 1 -4  28 8  o 202.1884 60.60261 1.635432       1.072870  1.598845       1.644538  1.662542       1.415603  200.6776 87.13932 203.6993 84.24633 -3.021713      121.2052 
1 1 1 -4  28 9  o 192.1692 61.22464 0.7034044      1.209329  -0.6252134     1.487379  3.294790       2.077244  144.5726 69.49709 239.7658 100.8166 -95.19318      122.4493 
1 1 1 -4  28 10 o 202.7814 67.56618 1.467678       1.433545  4.715071       3.262072  0.6904233      1.595907  233.3524 109.4226 172.2104 79.29340 61.14191       135.1324 
1 1 1 -4  28 11 o 202.6893 62.35612 2.003040       1.190871  2.615997       1.786329  1.512697       1.597704  217.0507 92.47507 188.3278 83.67500 28.72284       124.7122 
1 1 1 -4  28 12 o 193.7510 63.16464 2.067244       1.323803  1.564080       1.545968  3.450285       2.563084  182.2706 81.55414 205.2314 96.47803 -22.96072      126.3293 
1 1 1 -4  29 1  o 203.4841 53.18848 1.507693       0.8533701 2.372142       1.081201  0.7940253E-01  1.389777  249.8660 77.45171 157.1021 72.91976 92.76390       106.3770 
1 1 1 -4  29 2  o 251.9886 61.96587 2.764472       0.9790784 2.908669       1.271283  2.554264       1.534935  267.5763 84.15628 236.4008 90.97690 31.17546       123.9317 
1 1 1 -4  29 3  o 190.2616 61.98547 1.011667       1.037373  0.8591651      1.102430  2.190573       3.065163  171.4093 72.82910 209.1139 100.3231 -37.70453      123.9709 
1 1 1 -4  29 4  o 184.4412 61.38601 0.5176882      1.249472  2.781820       2.483099  -0.2499610     1.445855  218.9484 100.1061 149.9340 71.07563 69.01434       122.7720 
1 1 1 -4  29 5  o 145.1221 48.16388 -0.1204209     0.8813105 -0.1846913     1.142155  -0.2584268E-01 1.385527  138.7138 64.95005 151.5305 71.13737 -12.81668      96.32775 
1 1 1 -4  29 6  o 211.1465 61.24679 1.992613       1.076942  2.860482       1.561340  1.204997       1.487399  239.2163 91.83029 183.0766 81.06709 56.13965       122.4936 
1 1 1 -4  29 7  o 178.2233 57.14749 0.9446775      1.074292  1.794533       1.765267  0.4447851      1.353868  196.9887 87.71395 159.4579 73.27759 37.53078       114.2950 
1 1 1 -4  29 8  o 190.9964 56.69394 0.7269217      1.077714  3.450970       1.621603  -1.428130      1.442334  254.9303 94.51009 127.0625 62.64705 127.8678       113.3879 
1 1 1 -4  29 9  o 129.1619 44.83562 -1.009060      0.9058387 -0.2293233     1.574257  -1.395011      1.107562  147.7898 71.15369 110.5340 54.57182 37.25582       89.67124 
1 1 1 -4  29 10 o 168.5144 54.03547 0.5861788      1.140579  2.464490       1.525054  -1.798061      1.718210  208.4994 86.93544 128.5294 64.19937 79.96996       108.0709 
1 1 1 -4  30 1  f 189.1110 54.88213 1.497125       0.9012100 2.101877       1.184083  0.6644582      1.389405  215.7511 80.60648 162.4709 74.50360 53.28014       109.7643 
1 1 1 -4  30 2  o 173.9510 53.65475 1.090640       0.8642435 0.9658467      1.076576  1.316826       1.449374  167.5887 71.60543 180.3132 79.92491 -12.72453      107.3095 
1 1 1 -4  30 3  o 131.6136 61.20538 -0.5143686     0.9428912 -0.4952736E-01 0.9865210 -5.423669      3.206002  131.6136 61.20538 ?        ?        ?              ?        
1 1 1 -4  30 4  o 171.1118 58.66710 0.6745504      1.539733  0.9177808      2.567945  0.5380198      1.923940  176.1278 86.17527 166.0959 79.63125 10.03191       117.3342 
1 1 1 -4  30 5  o 218.5283 63.86747 2.643131       1.170943  1.804627       1.592977  3.628739       1.727067  190.9937 84.26717 246.0630 95.99613 -55.06931      127.7349 
1 1 1 -4  30 6  o 149.4384 49.88468 -0.1750547     1.058195  -1.935566      1.569030  1.293849       1.433205  122.9820 61.41668 175.8949 78.62517 -52.91289      99.76936 
1 1 1 -4  30 7  o 142.0715 48.80629 -0.3605881     1.110585  0.1372875      1.570622  -0.8584407     1.570586  149.6303 71.79317 134.5126 66.13589 15.11768       97.61258 
1 1 1 -4  30 8  o 151.3992 53.11673 -0.5641293     1.413080  -2.176631      1.799871  2.026786       2.281487  124.8144 62.80133 177.9839 85.68278 -53.16955      106.2335 
1 1 1 -4  30 9  o 141.0544 67.47789 0.3988094E-01  1.257593  -1.283922      3.237972  0.2750450      1.364731  ?        ?        141.0544 67.47789 ?              ?        
1 1 1 -4  31 1  o 161.2521 48.48645 0.6256642      0.8596328 2.063902       1.104498  -1.584166      1.369081  205.9852 77.67264 116.5189 58.05776 89.46626       96.97289 
1 1 1 -4  31 2  o 158.1869 70.26295 0.9211823      1.125783  0.9211823      1.125783  0.000000       0.000000  158.1869 70.26295 ?        ?        ?              ?        
1 1 1 -4  31 3  o 140.2828 49.26719 -0.2441557     1.014358  -0.1382958     1.071116  -1.164359      3.158004  127.6322 60.69939 152.9334 77.61835 -25.30120      98.53438 
1 1 1 -4  31 4  o 192.8167 85.81025 -0.2202147     1.422116  -6.881732      2.643531  2.492789       1.687031  ?        ?        192.8167 85.81025 ?              ?        
1 1 1 -4  31 5  o 153.4502 50.55218 0.7347640      1.023758  1.532496       1.305722  -0.5381489     1.649384  172.0013 76.06915 134.8992 66.60012 37.10210       101.1044 
1 1 1 -4  31 6  o 174.1252 57.52983 2.109133       1.277479  1.534539       1.894993  2.587790       1.729575  162.7642 78.29086 185.4861 84.31645 -22.72188      115.0597 
1 1 1 -4  32 1  f 147.0775 47.80264 0.7624635      0.9773497 1.898252       1.154701  -2.106770      1.835286  176.6785 74.77394 117.4765 59.57541 59.20197       95.60529 
1 1 1 -4  32 2  o 121.9229 58.48114 -0.4193674E-01 0.9876427 0.1932874E-01  1.040398  -0.6004969     3.141425  121.9229 58.48114 ?        ?        ?              ?        
1 1 1 -4  32 3  o 121.3230 60.37987 -0.8223907     1.286831  -1.519704      2.706637  -0.6187372     1.462722  ?        ?        121.3230 60.37987 ?              ?        
1 1 1 -3  0  1  o 10675.02 164.5768 2891.422       125.6521  2891.422       125.6521  2891.422       125.6521  10675.02 232.7467 10675.02 232.7467 0.000000       0.000000 
1 1 1 -3  0  2  o 13446.76 206.3760 4590.828       198.4785  4590.828       198.4785  4590.828       198.4785  13446.76 291.8597 13446.76 291.8597 0.000000       0.000000 
1 1 1 -3  0  3  o 285.4968 54.45595 2.464519       0.9620382 2.464519       0.9620382 2.464519       0.9620382 285.4968 77.01234 285.4968 77.01234 0.000000       0.000000 
1 1 1 -3  0  4  o 6204.316 98.24597 976.5478       43.59285  976.5478       43.59285  976.5478       43.59285  6204.316 138.9408 6204.316 138.9408 0.000000       0.000000 
1 1 1 -3  0  5  o 1402.931 24.73299 49.92173       2.480854  49.92173       2.480854  49.92173       2.480854  1402.931 34.97773 1402.931 34.97773 0.000000       0.000000 
1 1 1 -3  0  6  o 452.6403 33.29577 5.398537       1.052311  5.398537       1.052311  5.398537       1.052311  452.6403 47.08733 452.6403 47.08733 0.000000       0.000000 
1 1 1 -3  0  7  o ?        ?        298.3815       14.52131  298.3815       14.52131  298.3815       14.52131  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 -3  0  8  o 378.6560 35.43242 3.818986       0.9137140 3.818986       0.9137140 3.818986       0.9137140 378.6560 50.10900 378.6560 50.10900 0.000000       0.000000 
1 1 1 -3  0  9  o 1572.732 53.09059 63.14762       5.947151  63.14762       5.947151  63.14762       5.947151  1572.732 75.08144 1572.732 75.08144 -0.000000      0.000000 
1 1 1 -3  0  10 o 1900.417 58.23273 92.28711       7.889605  92.28711       7.889605  92.28711       7.889605  1900.417 82.35352 1900.417 82.35352 0.000000       0.000000 
1 1 1 -3  0  11 o 150.9117 55.91209 0.8403021      0.7958243 0.8403021      0.7958243 0.8403021      0.7958243 150.9117 79.07163 150.9117 79.07163 0.000000       0.000000 
1 1 1 -3  0  12 o 2237.249 44.67716 127.3799       7.143554  127.3799       7.143554  127.3799       7.143554  2237.249 63.18304 2237.249 63.18304 0.000000       0.000000 
1 1 1 -3  0  13 o 3518.333 61.00002 315.7989       15.34530  315.7989       15.34530  315.7989       15.34530  3518.333 86.26706 3518.333 86.26706 -0.000000      0.000000 
1 1 1 -3  0  14 o 1038.313 50.04970 27.83082       3.681036  27.83082       3.681036  27.83082       3.681036  1038.313 70.78096 1038.313 70.78096 0.000000       0.000000 
1 1 1 -3  0  15 o 2403.896 67.28361 149.2040       11.53918  149.2040       11.53918  149.2040       11.53918  2403.896 95.15339 2403.896 95.15339 0.000000       0.000000 
1 1 1 -3  0  16 o 127.5279 57.27380 0.1460540      1.139153  0.1460540      1.139153  0.1460540      1.139153  127.5279 80.99739 127.5279 80.99739 0.000000       0.000000 
1 1 1 -3  0  17 o 917.1298 37.31642 21.69734       2.431794  21.69734       2.431794  21.69734       2.431794  917.1298 52.77339 917.1298 52.77339 0.000000       0.000000 
1 1 1 -3  0  18 o 148.6906 63.93343 0.5759343      1.272507  0.5759343      1.272507  0.5759343      1.272507  148.6906 90.41552 148.6906 90.41552 0.000000       0.000000 
1 1 1 -3  0  19 o 155.8188 73.07569 -0.2827950     2.155468  -0.2827950     2.155468  -0.2827950     2.155468  155.8188 103.3446 155.8188 103.3446 0.000000       0.000000 
1 1 1 -3  0  20 f 784.1721 56.33498 16.88850       3.088083  16.88850       3.088083  16.88850       3.088083  784.1721 79.66970 784.1721 79.66970 0.000000       0.000000 
1 1 1 -3  0  21 o 155.9526 69.18061 0.6198558      1.605834  0.6198558      1.605834  0.6198558      1.605834  155.9526 97.83616 155.9526 97.83616 0.000000       0.000000 
1 1 1 -3  0  22 o 602.4475 48.17147 10.23625       2.009333  10.23625       2.009333  10.23625       2.009333  602.4475 68.12475 602.4475 68.12475 0.000000       0.000000 
1 1 1 -3  0  23 o 515.1086 60.49459 8.140302       2.046019  8.140302       2.046019  8.140302       2.046019  515.1086 85.55228 515.1086 85.55228 0.000000       0.000000 
1 1 1 -3  0  24 o 240.5983 102.8178 4.389366       3.249637  4.389366       3.249637  4.389366       3.249637  240.5983 145.4064 240.5983 145.4064 -0.000000      0.000000 
1 1 1 -3  1  1  o 16038.12 245.7322 6538.866       199.5164  6465.639       282.1579  6612.093       282.1596  15947.93 349.4654 16128.30 345.5592 -180.3691      491.4644 
1 1 1 -3  1  2  o 11975.73 183.7740 3640.069       111.4080  3705.810       157.5557  3574.330       157.5538  12084.16 257.5335 11867.30 262.2364 216.8574       367.5479 
1 1 1 -3  1  3  o 6152.947 137.6696 960.0192       42.88315  949.8602       60.64571  970.1783       60.64615  6120.334 195.7227 6185.560 193.6603 -65.22559      275.3392 
1 1 1 -3  1  4  o 1019.166 28.95205 26.36312       1.458910  25.98307       2.320044  26.61169       1.876306  1013.062 45.23521 1025.271 36.14776 -12.20905      57.90410 
1 1 1 -3  1  5  o 2602.229 39.17807 171.5364       5.160964  174.3763       7.302123  168.7018       7.295293  2623.765 54.97188 2580.694 55.83706 43.07056       78.35614 
1 1 1 -3  1  6  o 1720.143 38.10863 84.27419       3.249077  82.73782       4.188565  86.59525       5.148278  1720.809 48.07827 1719.477 59.14008 1.332275       76.21725 
1 1 1 -3  1  7  o ?        ?        205.6184       7.430718  204.4085       10.50743  206.8288       10.50981  ?        ?        ?        ?        ?              ?        
1 1 1 -3  1  8  o 1221.879 33.99669 37.85299       2.103040  37.76823       2.974010  37.93777       2.974287  1220.509 48.13022 1223.249 48.02687 -2.740601      67.99338 
1 1 1 -3  1  9  o 1608.271 53.12271 65.68369       4.324770  66.90034       6.113383  64.46482       6.118917  1623.229 74.39059 1593.313 75.85599 29.91675       106.2454 
1 1 1 -3  1  10 o 539.9260 52.78820 7.558154       1.404194  7.693021       1.998061  7.426539       1.973820  544.8179 74.38281 535.0341 74.92378 9.783813       105.5764 
1 1 1 -3  1  11 o 341.6708 45.66289 3.208370       0.7539163 4.854972       1.069196  1.580101       1.063227  434.3619 49.50515 248.9797 76.74397 185.3822       91.32578 
1 1 1 -3  1  12 o 1271.601 35.31976 41.04988       2.273620  40.32788       3.201566  41.78448       3.229381  1260.304 50.17687 1282.897 49.72145 -22.59338      70.63951 
1 1 1 -3  1  13 o 1445.791 37.14001 53.09431       2.718412  53.72122       3.860111  52.47750       3.828908  1454.266 52.42908 1437.316 52.61857 16.95068       74.28003 
1 1 1 -3  1  14 o 657.2618 53.53072 11.19553       1.744584  11.27815       2.394950  11.10214       2.546442  660.4282 72.84050 654.0955 78.46281 6.332642       107.0614 
1 1 1 -3  1  15 o 2515.003 69.26729 163.8568       8.819568  163.1233       12.47078  164.5908       12.47473  2509.250 98.16710 2520.757 97.74992 -11.50708      138.5346 
1 1 1 -3  1  16 o 1349.951 37.01892 46.52267       2.529661  46.14247       3.598919  46.89396       3.556421  1344.386 52.87673 1355.516 51.82329 -11.13000      74.03784 
1 1 1 -3  1  17 o 1387.836 37.64868 49.35254       2.644406  51.10110       3.761713  47.64421       3.718178  1412.336 52.60947 1363.335 53.86961 49.00061       75.29736 
1 1 1 -3  1  18 o 638.1340 43.73612 10.80466       1.366687  12.64112       1.894299  8.810990       1.973721  698.4158 53.99298 577.8522 68.81969 120.5635       87.47224 
1 1 1 -3  1  19 o 839.6445 57.78353 18.95032       2.418917  18.92783       3.543413  18.96995       3.310213  837.3550 84.75224 841.9341 78.56719 -4.579102      115.5671 
1 1 1 -3  1  20 o 828.3905 49.83374 18.29843       1.914772  18.24421       2.314145  18.41612       3.409603  834.8375 55.06180 821.9436 83.07710 12.89386       99.66748 
1 1 1 -3  1  21 o 442.2435 60.14441 5.830963       1.269127  3.978625       1.925242  7.254488       1.687749  366.7628 100.6416 517.7242 65.88374 -150.9614      120.2888 
1 1 1 -3  1  22 o 1029.155 40.32677 28.38956       2.091078  28.60772       2.905513  28.15515       3.011814  1034.597 55.67609 1023.712 58.35379 10.88507       80.65353 
1 1 1 -3  1  23 o 361.1169 78.43445 4.246911       1.482437  4.008131       2.984950  4.325088       1.707959  344.5401 128.1275 377.6938 90.50525 -33.15369      156.8689 
1 1 1 -3  1  24 o 316.6378 74.83937 3.576880       1.606284  0.6455752      3.067888  4.683940       1.885362  252.1681 113.6862 381.1074 97.36106 -128.9393      149.6787 
1 1 1 -3  2  1  o 2707.332 48.77477 185.5799       6.684865  183.1508       9.453416  188.0095       9.454238  2689.608 69.42505 2725.056 68.52792 -35.44800      97.54954 
1 1 1 -3  2  2  o 2720.873 49.80945 187.4409       6.861109  186.0117       9.702766  188.8703       9.703379  2710.497 70.70710 2731.249 70.17429 -20.75220      99.61890 
1 1 1 -3  2  3  o 1786.979 38.67713 80.85207       3.498351  78.73425       4.937968  82.98617       4.956917  1763.480 55.30876 1810.478 54.07977 -46.99731      77.35426 
1 1 1 -3  2  4  o 6970.781 123.3778 1219.341       37.90003  1261.524       75.81852  1205.290       43.75964  7045.873 212.5479 6895.690 125.3465 150.1821       246.7557 
1 1 1 -3  2  5  o 2769.792 49.87396 194.4769       6.992711  198.2161       9.890695  190.7399       9.887678  2796.448 69.86124 2743.135 71.19730 53.31348       99.74792 
1 1 1 -3  2  6  o ?        ?        77.09302       2.753138  75.98969       3.889060  78.20142       3.898004  ?        ?        ?        ?        ?              ?        
1 1 1 -3  2  7  o ?        ?        517.2444       15.06779  503.8228       19.45061  537.3861       23.82761  ?        ?        ?        ?        ?              ?        
1 1 1 -3  2  8  o 4986.509 81.24420 634.5891       20.50952  628.0374       29.00134  641.1439       29.00835  4960.556 115.4793 5012.462 114.3111 -51.90625      162.4884 
1 1 1 -3  2  9  o 2114.252 60.78689 113.6283       6.506357  114.3194       9.187009  112.9328       9.215815  2120.742 85.56626 2107.761 86.36319 12.98120       121.5738 
1 1 1 -3  2  10 o 2401.108 56.71692 147.8925       6.480441  149.7915       7.942523  144.1105       11.20857  2427.183 64.63569 2375.034 93.21729 52.14819       113.4338 
1 1 1 -3  2  11 o 1392.443 36.23026 49.27260       2.553544  47.93519       3.597094  50.63129       3.625588  1373.342 51.73559 1411.544 50.73416 -38.20166      72.46052 
1 1 1 -3  2  12 f 682.9965 35.58131 11.91567       1.220787  12.29532       1.715245  11.52594       1.737883  694.2221 49.11985 671.7709 51.49136 22.45117       71.16263 
1 1 1 -3  2  13 o 1063.765 34.97021 28.77559       1.880601  30.15543       2.637588  27.34877       2.682114  1089.850 47.80315 1037.679 51.05409 52.17090       69.94041 
1 1 1 -3  2  14 o 2092.462 61.64666 112.4071       6.529377  109.7987       9.222459  115.0286       9.245449  2067.814 88.09506 2117.109 86.25835 -49.29492      123.2933 
1 1 1 -3  2  15 f 1298.881 45.36224 43.04980       2.816412  42.71782       3.460297  43.70138       4.847744  1294.595 52.79538 1303.167 73.78060 -8.572754      90.72447 
1 1 1 -3  2  16 o 1494.089 38.14241 57.02132       2.885112  56.71709       4.081234  57.32523       4.079096  1490.065 54.10066 1498.112 53.78188 -8.046875      76.28481 
1 1 1 -3  2  17 o 1014.488 45.89697 26.43762       2.190239  26.06873       2.654529  27.22433       3.876573  1007.395 52.22723 1021.582 75.48802 -14.18665      91.79393 
1 1 1 -3  2  18 o 1128.736 37.58812 32.83547       2.147238  33.67607       3.029078  31.98641       3.044285  1143.570 52.31953 1113.901 53.98273 29.66895       75.17625 
1 1 1 -3  2  19 f 803.3516 56.12325 17.31721       2.250546  18.17548       3.195755  16.47277       3.169907  824.3057 77.48706 782.3974 81.20982 41.90833       112.2465 
1 1 1 -3  2  20 o 585.7797 55.32034 9.227087       1.569351  8.740971       2.013306  9.979812       2.505287  569.4766 71.40096 602.0826 84.51784 -32.60602      110.6407 
1 1 1 -3  2  21 o 215.5205 64.16538 0.3032025      1.137915  1.186074       1.967642  -0.1404495     1.394821  250.6672 100.9424 180.3739 79.24283 70.29327       128.3308 
1 1 1 -3  2  22 o 321.3355 81.60515 2.846663       1.662266  4.594879       2.762419  1.854321       2.081241  372.1298 124.5910 270.5412 105.4262 101.5885       163.2103 
1 1 1 -3  2  23 o 427.1264 72.14093 6.052981       1.570274  7.309840       2.034393  4.200543       2.469808  499.8380 83.32733 354.4149 117.7871 145.4231       144.2819 
1 1 1 -3  2  24 o 236.4620 70.86024 1.082093       1.493252  -1.037726      2.944834  1.815809       1.732509  220.3209 103.5208 252.6031 96.78916 -32.28217      141.7205 
1 1 1 -3  3  1  o 10792.91 208.6425 2973.961       107.1851  2916.251       185.6725  3002.805       131.2665  10707.21 342.5213 10878.61 238.3400 -171.3945      417.2851 
1 1 1 -3  3  2  o 4912.068 79.32291 611.1513       19.72521  603.6062       27.89628  618.6958       27.89504  4881.729 112.8727 4942.407 111.4820 -60.67773      158.6458 
1 1 1 -3  3  3  o 10073.29 140.8795 2564.508       70.52724  2521.681       91.05047  2628.749       111.5130  9970.807 180.3716 10175.77 216.4585 -204.9639      281.7591 
1 1 1 -3  3  4  o 5137.111 100.4049 666.1052       24.67587  680.2529       42.75319  659.0379       30.21693  5175.864 163.1556 5098.358 117.0675 77.50586       200.8097 
1 1 1 -3  3  5  o 5063.735 82.09344 653.1219       21.04349  642.2628       29.75912  663.9822       29.76085  5021.375 117.0614 5106.095 115.1258 -84.71973      164.1869 
1 1 1 -3  3  6  o ?        ?        2.909972       0.5218155 3.257610       0.6972641 2.467404       0.7867258 ?        ?        ?        ?        ?              ?        
1 1 1 -3  3  7  o 2503.841 38.12785 159.8656       4.831878  155.2946       6.821455  164.4685       6.845222  2467.687 54.60135 2539.994 53.23180 -72.30762      76.25569 
1 1 1 -3  3  8  o 1822.318 36.73332 85.74485       3.287925  91.54982       4.254928  77.14126       5.180032  1900.675 44.21817 1743.962 58.66942 156.7131       73.46664 
1 1 1 -3  3  9  o 1746.214 48.11672 78.11665       3.999544  75.27984       6.896475  79.55426       4.909471  1721.248 79.14072 1771.179 54.75055 -49.93103      96.23344 
1 1 1 -3  3  10 o 584.9330 40.27427 8.815647       1.115635  8.905840       1.380693  8.645989       1.893640  590.5715 46.55616 579.2944 65.73121 11.27704       80.54855 
1 1 1 -3  3  11 o 858.9818 34.16942 18.81807       1.478467  19.29523       2.063069  18.31430       2.119823  870.3738 46.99339 847.5898 49.61672 22.78400       68.33884 
1 1 1 -3  3  12 o 1058.918 34.56839 28.46523       1.853190  28.60665       2.619531  28.32354       2.622083  1061.560 48.74109 1056.276 49.03264 5.283936       69.13678 
1 1 1 -3  3  13 o 681.8135 35.91473 11.87497       1.230089  11.39065       1.734005  12.36560       1.745267  667.6290 51.70487 695.9980 49.86057 -28.36896      71.82945 
1 1 1 -3  3  14 o 1721.550 48.66050 75.86899       3.996501  75.23457       6.907351  76.18825       4.899950  1713.473 79.62519 1729.626 55.95718 -16.15234      97.32100 
1 1 1 -3  3  15 o 324.2734 58.97878 2.691112       0.9494566 2.304322       1.191262  3.364707       1.572061  294.2967 78.50508 354.2502 88.03940 -59.95352      117.9576 
1 1 1 -3  3  16 o 460.3157 48.21639 5.547114       1.083593  4.815074       1.498215  6.350070       1.569107  427.0511 71.84730 493.5803 64.32144 -66.52914      96.43279 
1 1 1 -3  3  17 o 643.6870 39.40227 10.71686       1.270075  10.66842       1.834869  10.76142       1.759796  641.9548 57.05149 645.4191 54.36252 -3.464294      78.80454 
1 1 1 -3  3  18 o 1402.471 46.72748 49.78349       3.126330  55.82479       5.523152  46.93526       3.792355  1456.757 75.14468 1348.185 55.56174 108.5721       93.45496 
1 1 1 -3  3  19 o 607.6116 52.30025 9.519246       1.508044  11.20210       2.608620  8.674533       1.848170  643.1179 81.98395 572.1053 64.96074 71.01251       104.6005 
1 1 1 -3  3  20 o 1281.637 56.85030 44.53987       3.662674  47.19981       5.156185  41.83063       5.203749  1323.587 77.28305 1239.687 83.39758 83.89941       113.7006 
1 1 1 -3  3  21 o 604.4633 61.75206 10.51919       1.668090  10.89105       2.020310  9.722719       2.956733  636.2975 63.56602 572.6290 105.8897 63.66852       123.5041 
1 1 1 -3  3  22 o 638.3229 48.75341 11.21681       1.539393  9.675926       2.103469  12.99382       2.258891  588.4849 72.11085 688.1609 65.63235 -99.67603      97.50681 
1 1 1 -3  3  23 o 320.5953 72.22630 3.250691       1.327669  2.921547       1.940678  3.540272       1.820311  305.9353 104.4185 335.2553 99.81647 -29.32001      144.4526 
1 1 1 -3  3  24 o 241.7499 95.67112 1.547601       1.736872  0.000000       0.000000  1.547601       1.736872  ?        ?        241.7499 95.67112 ?              ?        
1 1 1 -3  4  1  o 4105.124 83.18332 423.1870       16.35689  438.2227       28.36602  415.6969       20.02066  4158.831 134.7235 4051.416 97.60854 107.4143       166.3666 
1 1 1 -3  4  2  f 7379.788 115.1027 1380.809       43.00345  1391.716       60.82162  1369.907       60.81050  7408.974 162.1498 7350.602 163.4075 58.37158       230.2055 
1 1 1 -3  4  3  o 1317.864 41.36746 43.43945       2.618342  42.32734       3.208133  45.65813       4.531339  1292.969 49.00953 1342.759 66.65684 -49.79004      82.73492 
1 1 1 -3  4  4  o 4102.258 96.36279 426.8163       20.01318  0.000000       0.000000  426.8163       20.01318  ?        ?        4102.258 96.36279 ?              ?        
1 1 1 -3  4  5  o 523.4577 29.53782 7.007075       0.7749574 7.487284       1.100020  6.533900       1.091935  541.5475 40.41291 505.3679 43.08978 36.17960       59.07565 
1 1 1 -3  4  6  o ?        ?        74.99300       3.273532  71.96405       4.624094  78.03609       4.634872  ?        ?        ?        ?        ?              ?        
1 1 1 -3  4  7  o 725.7073 28.27693 13.42232       1.018243  13.61494       1.328976  13.14849       1.584521  732.8333 35.82023 718.5814 43.76358 14.25195       56.55386 
1 1 1 -3  4  8  o 1997.253 37.93221 101.6832       3.744662  103.7641       4.828068  98.54140       5.932407  2023.398 47.13119 1971.108 59.44797 52.29041       75.86442 
1 1 1 -3  4  9  o 3680.396 62.65288 344.7700       11.67253  351.2020       16.51350  338.3474       16.50139  3714.883 87.80322 3645.909 89.39870 68.97461       125.3058 
1 1 1 -3  4  10 o 233.8432 52.62297 1.346444       0.6568221 1.360393       0.7750121 1.310884       1.237427  228.1951 64.31915 239.4913 83.30520 -11.29626      105.2459 
1 1 1 -3  4  11 o 626.2162 35.61786 10.04993       1.110522  11.61680       1.589345  8.555173       1.552340  674.7513 46.81507 577.6811 53.69244 97.07019       71.23573 
1 1 1 -3  4  12 o 763.7882 35.43655 14.88729       1.360203  13.83929       1.917790  15.94813       1.929499  736.4185 51.76811 791.1580 48.40517 -54.73950      70.87311 
1 1 1 -3  4  13 o 1662.142 38.87132 70.26163       3.269708  72.10863       4.606596  68.38634       4.641733  1684.286 54.02324 1639.998 55.90535 44.28857       77.74265 
1 1 1 -3  4  14 o 2147.796 43.75252 117.7107       4.756064  121.1574       6.731225  114.2744       6.720967  2179.433 61.00521 2116.159 62.73354 63.27417       87.50504 
1 1 1 -3  4  15 o 1122.982 44.54990 32.07961       2.390288  31.57868       2.932185  33.07190       4.126923  1112.947 52.03954 1133.017 72.32330 -20.07031      89.09980 
1 1 1 -3  4  16 o 751.4532 45.73048 14.83355       1.629104  13.82816       2.733986  15.38705       2.028570  728.5028 75.21006 774.4037 52.04376 -45.90094      91.46095 
1 1 1 -3  4  17 o 1163.677 45.56572 35.32976       2.535971  35.99751       3.144659  34.08778       4.288669  1184.567 52.43610 1142.788 74.53453 41.77844       91.13145 
1 1 1 -3  4  18 o 499.6057 54.29027 6.542088       1.274832  6.162107       1.574214  7.266096       2.172975  482.1718 66.23764 517.0397 86.03667 -34.86789      108.5805 
1 1 1 -3  4  19 o 239.7171 63.40895 1.233216       1.066378  0.4588060      1.682404  1.753276       1.378706  218.9452 91.30222 260.4890 88.01526 -41.54372      126.8179 
1 1 1 -3  4  20 o 468.7982 63.62510 6.283931       1.410329  6.581966       1.791375  5.798026       2.287327  491.1588 74.36831 446.4375 103.2568 44.72122       127.2502 
1 1 1 -3  4  21 o 758.4034 42.13607 15.34574       1.603830  14.65297       2.233994  16.08256       2.303940  740.3138 60.12440 776.4931 59.04954 -36.17932      84.27213 
1 1 1 -3  4  22 o 323.5800 67.86631 3.185774       1.189760  3.384895       1.747522  3.013729       1.624370  331.9752 97.53530 315.1848 94.39391 16.79034       135.7326 
1 1 1 -3  4  23 o 365.8997 76.52533 4.427287       1.513176  4.671408       1.922406  4.029714       2.453303  385.7530 98.18564 346.0464 117.4056 39.70657       153.0507 
1 1 1 -3  5  1  o 2920.524 104.7408 216.0844       15.48675  216.0844       15.48675  0.000000       0.000000  2920.524 104.7408 ?        ?        ?              ?        
1 1 1 -3  5  2  o 5078.046 82.21974 653.6217       21.13535  642.7740       29.89811  664.4574       29.88169  5035.874 117.2696 5120.219 115.2744 -84.34521      164.4395 
1 1 1 -3  5  3  o 4163.408 85.29757 442.1376       16.90268  446.6899       20.70085  433.0314       29.27803  4197.463 97.41315 4129.353 140.0478 68.11035       170.5951 
1 1 1 -3  5  4  o 1803.733 54.31343 82.47585       4.959789  0.000000       0.000000  82.47585       4.959789  ?        ?        1803.733 54.31343 ?              ?        
1 1 1 -3  5  5  o ?        ?        29.34376       1.731248  30.48226       2.452287  28.21254       2.444441  ?        ?        ?        ?        ?              ?        
1 1 1 -3  5  6  o ?        ?        200.4628       7.220194  194.2936       10.20802  206.6390       10.21378  ?        ?        ?        ?        ?              ?        
1 1 1 -3  5  7  f 620.9051 28.96474 10.00215       0.8826985 10.88100       1.161995  8.803073       1.357282  654.3696 35.20443 587.4406 46.00515 66.92896       57.92949 
1 1 1 -3  5  8  o 2380.982 37.18422 143.7422       4.480585  138.7914       6.320868  148.7424       6.352257  2339.715 53.36176 2422.249 51.79951 -82.53418      74.36845 
1 1 1 -3  5  9  o 4319.071 84.58006 468.9145       17.57919  506.8403       30.45572  449.9659       21.52730  4440.237 135.4812 4197.905 101.2916 242.3325       169.1601 
1 1 1 -3  5  10 o 2895.720 62.80085 210.1826       8.756433  200.6265       10.71909  229.3518       15.18164  2803.490 75.52229 2987.951 100.3602 -184.4609      125.6017 
1 1 1 -3  5  11 o 829.9241 33.65977 17.55027       1.407567  17.42375       2.019785  17.66974       1.962647  826.9117 48.45766 832.9365 46.73090 -6.024719      67.31955 
1 1 1 -3  5  12 o 2296.836 54.57774 133.9281       6.000458  136.3229       10.37121  132.7231       7.356805  2309.534 88.69955 2284.138 63.61848 25.39648       109.1555 
1 1 1 -3  5  13 o 2257.798 56.13004 131.9027       6.022420  125.5330       10.37383  135.1408       7.396443  2212.223 92.62464 2303.373 63.42711 -91.15015      112.2601 
1 1 1 -3  5  14 o 441.6079 61.25519 5.069953       1.332623  0.000000       0.000000  5.069953       1.332623  ?        ?        441.6079 61.25519 ?              ?        
1 1 1 -3  5  15 o 1518.107 46.52937 58.62668       3.396356  57.73673       4.178729  60.35886       5.829843  1503.990 54.88019 1532.224 75.15379 -28.23413      93.05873 
1 1 1 -3  5  16 o 594.9979 39.95362 9.197567       1.179894  9.748741       1.609662  8.557528       1.734576  615.4175 52.15372 574.5783 60.54053 40.83923       79.90724 
1 1 1 -3  5  17 o 663.1024 41.20044 11.40999       1.360180  13.05550       1.958100  9.875587       1.890833  710.5537 54.85671 615.6510 61.48695 94.90271       82.40087 
1 1 1 -3  5  18 o 333.8918 68.97451 3.042519       1.209716  2.915163       1.525428  3.258349       1.985820  324.8269 89.76981 342.9567 104.7440 -18.12976      137.9490 
1 1 1 -3  5  19 o 622.4392 56.65593 10.61007       1.657383  10.13179       2.749530  10.88304       2.077178  604.1940 92.85934 640.6844 64.93628 -36.49042      113.3119 
1 1 1 -3  5  20 o 680.2882 42.73344 12.27149       1.448426  12.26350       1.951848  12.28128       2.160824  681.6879 57.08116 678.8885 63.61076 2.799438       85.46688 
1 1 1 -3  5  21 o 532.1598 48.36280 7.577670       1.252586  9.585250       1.930551  6.118098       1.646105  594.1256 65.25787 470.1939 71.39504 123.9317       96.72559 
1 1 1 -3  5  22 f 575.7552 54.28385 9.551998       1.476895  12.34566       2.100243  6.819201       2.077236  671.7579 62.47097 479.7525 88.79372 192.0054       108.5677 
1 1 1 -3  5  23 o 332.9101 72.66271 3.889965       1.480793  4.811461       1.727228  1.334072       2.876566  398.4528 87.97485 267.3674 115.6715 131.0854       145.3254 
1 1 1 -3  6  1  o 664.5281 63.19736 11.28597       2.100560  11.28597       2.100560  0.000000       0.000000  664.5281 63.19736 ?        ?        ?              ?        
1 1 1 -3  6  2  o 3356.572 70.86641 284.4376       11.38681  281.6607       13.95527  289.9692       19.69623  3333.304 82.69508 3379.840 115.1074 -46.53613      141.7328 
1 1 1 -3  6  3  o 2993.125 76.59949 228.4920       11.56372  251.0213       16.34426  205.9112       16.36290  3141.979 102.7492 2844.271 113.6333 297.7080       153.1990 
1 1 1 -3  6  4  f 3500.648 110.4292 416.2443       19.57114  0.000000       0.000000  416.2443       19.57114  ?        ?        3500.648 110.4292 ?              ?        
1 1 1 -3  6  5  o ?        ?        9.906172       0.9308560 9.546961       1.312736  10.26945       1.320153  ?        ?        ?        ?        ?              ?        
1 1 1 -3  6  6  o 965.0557 31.33982 23.65366       1.530802  22.97232       2.160116  24.34105       2.169677  951.0554 44.86293 979.0561 43.77274 -28.00073      62.67963 
1 1 1 -3  6  7  o 1738.953 38.52165 76.68397       3.391373  76.66003       4.791561  76.70799       4.800704  1738.683 54.43433 1739.222 54.52131 -0.5386963     77.04330 
1 1 1 -3  6  8  o 745.3101 44.64262 16.52103       1.306444  18.69881       1.518113  10.30391       2.565026  859.1518 34.90202 631.4684 82.18092 227.6833       89.28525 
1 1 1 -3  6  9  o 472.4311 44.30246 5.233288       0.9597245 9.114961       1.635564  3.194919       1.185222  596.6135 54.76020 348.2487 69.65739 248.3647       88.60492 
1 1 1 -3  6  10 o 1322.136 50.47356 44.72923       3.365782  44.03062       4.736938  45.44156       4.783268  1311.636 71.60548 1332.637 71.15460 -21.00049      100.9471 
1 1 1 -3  6  11 o 2806.235 63.75237 202.2805       8.523532  198.9527       14.73716  203.9532       10.44839  2783.751 104.5682 2828.718 72.95853 -44.96680      127.5047 
1 1 1 -3  6  12 o 737.4223 41.94147 13.54083       1.480259  12.74077       1.812773  15.14184       2.564356  706.4474 51.02837 768.3972 66.57668 -61.94983      83.88295 
1 1 1 -3  6  13 o 1282.045 50.49343 41.79012       3.277342  41.79012       3.277342  0.000000       0.000000  1282.045 50.49343 ?        ?        ?              ?        
1 1 1 -3  6  14 o 1240.739 44.52512 39.34870       2.641874  39.56668       4.531063  39.23642       3.251817  1240.441 72.46588 1241.038 51.75559 -0.5974121     89.05024 
1 1 1 -3  6  15 o 1443.852 37.87393 53.19370       2.767789  52.15747       3.860585  54.28962       3.970207  1429.439 53.34624 1458.265 53.77655 -28.82617      75.74786 
1 1 1 -3  6  16 o 1037.858 37.18221 27.60530       1.945698  27.03190       2.687086  28.23729       2.821065  1026.695 51.86387 1049.020 53.29358 -22.32446      74.36442 
1 1 1 -3  6  17 o 843.5368 37.61945 18.38902       1.595845  19.50734       2.255048  17.26709       2.258688  869.8856 51.43333 817.1880 54.91361 52.69763       75.23890 
1 1 1 -3  6  18 o 306.7208 68.71879 2.659842       1.143863  3.011416       1.295707  1.418035       2.435147  330.9822 78.51099 282.4593 112.8056 48.52298       137.4376 
1 1 1 -3  6  19 o 368.6291 64.16001 3.609418       1.126871  4.612756       2.013824  3.152046       1.359667  400.9762 99.63998 336.2820 80.85730 64.69421       128.3200 
1 1 1 -3  6  20 o 806.3962 38.83343 17.11496       1.574535  17.98632       2.236718  16.25900       2.216873  827.5092 53.67914 785.2832 56.13102 42.22595       77.66686 
1 1 1 -3  6  21 o 448.3713 56.75587 5.857671       1.212822  4.902817       1.852915  6.573406       1.604218  407.3867 92.01254 489.3560 66.47259 -81.96930      113.5117 
1 1 1 -3  6  22 o 271.9792 67.36568 2.100843       1.189680  1.256857       1.709018  2.894336       1.657107  236.8703 94.53301 307.0882 96.00026 -70.21794      134.7314 
1 1 1 -3  6  23 o 382.3844 73.98886 4.884663       1.439407  5.115500       1.734288  4.373615       2.580472  411.4795 86.02004 353.2894 120.4075 58.19009       147.9777 
1 1 1 -3  7  1  o 1875.415 56.70711 89.28500       5.384099  88.75459       7.613335  89.81567       7.615197  1869.828 80.42474 1881.002 79.96653 -11.17407      113.4142 
1 1 1 -3  7  2  o 4337.952 144.9654 485.5093       31.83704  0.000000       0.000000  485.5093       31.83704  ?        ?        4337.952 144.9654 ?              ?        
1 1 1 -3  7  3  o ?        ?        889.5472       40.07015  908.3398       56.64552  870.7251       56.69000  ?        ?        ?        ?        ?              ?        
1 1 1 -3  7  4  o ?        ?        24.88850       1.844856  25.37677       3.220902  24.65009       2.250616  ?        ?        ?        ?        ?              ?        
1 1 1 -3  7  5  o 4106.399 73.67593 464.9199       15.31634  460.7598       21.66073  469.0799       21.66042  4086.387 104.7008 4126.413 103.6837 -40.02588      147.3519 
1 1 1 -3  7  6  o 2567.209 47.53085 167.4462       6.175652  172.3378       8.735286  162.5582       8.732096  2604.830 66.23905 2529.588 68.18440 75.24170       95.06169 
1 1 1 -3  7  7  o 875.6418 31.77500 19.47882       1.403676  20.66633       1.984329  18.28946       1.985868  903.0656 43.40210 848.2180 46.42049 54.84766       63.55001 
1 1 1 -3  7  8  o 1538.512 52.29552 60.18830       4.072052  61.78451       5.750114  58.58247       5.767427  1559.077 72.84928 1517.948 75.04844 41.12915       104.5910 
1 1 1 -3  7  9  o 1581.570 53.20922 63.81054       4.260338  63.19058       6.023817  64.43101       6.026240  1573.826 75.60166 1589.313 74.89509 -15.48682      106.4184 
1 1 1 -3  7  10 o 978.0079 40.28892 23.86139       1.901233  22.59356       2.341634  26.31399       3.256872  941.6648 49.28918 1014.351 63.74453 -72.68634      80.57784 
1 1 1 -3  7  11 o 680.1392 32.25582 12.02697       1.072693  12.99299       1.399770  10.65244       1.669713  714.6995 38.83136 645.5789 51.51580 69.12067       64.51164 
1 1 1 -3  7  12 o 1049.659 32.53406 28.36811       1.690017  30.09443       2.220623  25.99191       2.605289  1089.123 40.27303 1010.195 51.10717 78.92780       65.06812 
1 1 1 -3  7  13 o 1595.412 48.08834 64.96271       3.636758  64.86844       4.425238  65.15884       6.383138  1596.142 54.76228 1594.683 79.06355 1.459351       96.17667 
1 1 1 -3  7  14 o 1119.311 43.76734 31.59076       2.375296  33.85777       4.012376  30.36761       2.947224  1147.353 69.40160 1091.270 53.34546 56.08313       87.53468 
1 1 1 -3  7  15 o 962.5526 35.83971 23.70737       1.739057  24.93689       2.477363  22.51288       2.441819  987.4193 49.71620 937.6859 51.63563 49.73340       71.67942 
1 1 1 -3  7  16 o 2011.104 43.35935 104.0471       4.414374  102.5510       6.200948  105.5843       6.285651  1996.431 61.35078 2025.776 61.28798 -29.34436      86.71870 
1 1 1 -3  7  17 o 699.9658 38.88744 12.65249       1.363899  13.69526       2.007994  11.75933       1.858371  726.7815 54.97935 673.1502 55.01095 53.63129       77.77489 
1 1 1 -3  7  18 o 308.4285 70.36203 2.350822       1.164711  1.942746       1.383309  3.344685       2.158800  270.8927 88.06094 345.9643 109.7658 -75.07159      140.7241 
1 1 1 -3  7  19 o 378.8331 69.37656 4.266944       1.280513  3.511343       2.392176  4.570406       1.515997  350.1680 115.8995 407.4982 76.28721 -57.33023      138.7531 
1 1 1 -3  7  20 o 1003.986 49.07557 27.84823       2.280348  25.00348       3.964048  29.25522       2.787805  950.7626 83.19099 1057.210 52.08557 -106.4475      98.15115 
1 1 1 -3  7  21 o 705.5387 43.54083 13.49114       1.539311  13.21791       2.178946  13.76336       2.174888  697.7986 62.33453 713.2788 60.80807 -15.48016      87.08166 
1 1 1 -3  7  22 o 259.8144 66.02954 1.920633       1.107184  1.838486       1.561700  2.003647       1.569921  256.0346 93.10258 263.5942 93.65635 -7.559631      132.0591 
1 1 1 -3  7  23 o 283.4156 78.01765 2.423663       1.532610  2.541718       1.789851  2.099212       2.967210  284.6025 100.1211 282.2287 119.6778 2.373779       156.0353 
1 1 1 -3  8  1  o ?        ?        341.4984       23.17974  0.000000       0.000000  341.4984       23.17974  ?        ?        ?        ?        ?              ?        
1 1 1 -3  8  2  o ?        ?        125.2111       9.889336  0.000000       0.000000  125.2111       9.889336  ?        ?        ?        ?        ?              ?        
1 1 1 -3  8  3  o ?        ?        251.3629       12.47675  252.8666       17.61593  249.8493       17.67379  ?        ?        ?        ?        ?              ?        
1 1 1 -3  8  4  o 3150.952 78.68606 294.7415       11.70299  294.7293       20.28667  294.7476       14.32736  3060.323 130.9362 3241.581 87.30226 -181.2581      157.3721 
1 1 1 -3  8  5  o 1888.859 56.44329 90.58282       5.397537  0.000000       0.000000  90.58282       5.397537  ?        ?        1888.859 56.44329 ?              ?        
1 1 1 -3  8  6  o 1789.134 48.00802 81.71017       4.088308  79.90849       7.077942  82.61224       5.008272  1773.381 78.83539 1804.886 54.80932 -31.50488      96.01604 
1 1 1 -3  8  7  o 238.2754 40.74742 1.724592       0.5425369 2.476654       0.6622953 0.1904002      0.9459420 309.5901 43.45181 166.9606 68.94453 142.6296       81.49483 
1 1 1 -3  8  8  o 2252.516 62.83492 128.9838       7.165598  128.9838       7.165598  0.000000       0.000000  2252.516 62.83492 ?        ?        ?              ?        
1 1 1 -3  8  9  o 1397.473 51.14521 49.94461       3.610017  51.30917       5.085892  48.55898       5.125004  1417.928 70.84826 1377.017 73.78248 40.91089       102.2904 
1 1 1 -3  8  10 o 640.9038 35.23556 10.53847       1.129466  11.28904       1.571002  9.735437       1.624976  665.1006 46.95754 616.7070 52.54681 48.39368       70.47112 
1 1 1 -3  8  11 o 1847.346 37.40437 87.09736       3.416013  88.59711       4.402260  84.82769       5.415605  1868.183 46.54495 1826.508 58.56549 41.67529       74.80875 
1 1 1 -3  8  12 o 1575.370 35.31945 63.66774       2.742756  65.87835       3.534311  60.32077       4.348836  1610.838 43.33804 1539.901 55.78232 70.93665       70.63889 
1 1 1 -3  8  13 o 1579.879 46.17025 65.29271       3.159025  66.73259       3.654680  61.03801       6.282331  1620.087 44.55817 1539.670 80.87855 80.41760       92.34051 
1 1 1 -3  8  14 o 306.5177 62.09140 2.368570       0.9727871 2.946459       1.675432  2.074676       1.194812  332.7058 94.84718 280.3297 80.15848 52.37610       124.1828 
1 1 1 -3  8  15 o 727.2413 49.16582 14.24333       1.657016  12.21225       2.803515  15.33381       2.054231  681.7216 82.93814 772.7612 52.82401 -91.03961      98.33164 
1 1 1 -3  8  16 o 697.6403 38.20368 12.58448       1.336757  12.18193       1.921618  12.96194       1.860770  686.2999 55.78851 708.9805 52.20849 -22.68060      76.40736 
1 1 1 -3  8  17 o 297.2186 55.05192 2.358443       0.9378794 0.7701343      1.336632  3.898854       1.316324  214.0867 84.17959 380.3505 70.96937 -166.2638      110.1038 
1 1 1 -3  8  18 o 1315.690 49.79791 46.84627       3.046592  48.77581       3.712847  42.86951       5.330226  1370.929 53.49442 1260.452 84.00996 110.4768       99.59582 
1 1 1 -3  8  19 o 415.1309 57.04366 4.821631       1.153477  5.469356       1.622161  4.159163       1.640519  446.7634 74.33044 383.4983 86.55000 63.26505       114.0873 
1 1 1 -3  8  20 o 249.2483 67.51749 1.279794       1.201591  2.155513       1.845934  0.6359023      1.582853  282.8486 101.4431 215.6479 89.12769 67.20062       135.0350 
1 1 1 -3  8  21 o 423.3346 68.23808 5.611805       1.384140  5.990003       1.708867  4.890400       2.360142  458.4001 76.31759 388.2692 113.1431 70.13086       136.4762 
1 1 1 -3  8  22 f 326.6411 65.42226 3.305712       1.155619  2.520079       1.625607  4.108362       1.643119  286.8260 95.57079 366.4562 89.36732 -79.63016      130.8445 
1 1 1 -3  8  23 o 384.4112 64.28426 4.478229       1.242640  3.165957       1.616617  6.373258       1.942688  313.6088 94.22414 455.2137 87.47384 -141.6049      128.5685 
1 1 1 -3  9  1  o ?        ?        30.55644       3.696340  0.000000       0.000000  30.55644       3.696340  ?        ?        ?        ?        ?              ?        
1 1 1 -3  9  2  o ?        ?        176.1546       7.570967  179.6409       13.08203  174.3988       9.283619  ?        ?        ?        ?        ?              ?        
1 1 1 -3  9  3  f 2863.239 75.90873 213.3086       10.98141  227.9348       15.50227  198.5772       15.55798  2964.637 103.2857 2761.841 111.2682 202.7959       151.8175 
1 1 1 -3  9  4  o 1425.371 49.36473 51.82796       3.535938  58.45674       5.041461  45.40997       4.960660  1516.674 65.65691 1334.068 73.73384 182.6068       98.72947 
1 1 1 -3  9  5  o 2519.728 66.71140 161.1703       8.510151  161.1703       8.510151  0.000000       0.000000  2519.728 66.71140 ?        ?        ?              ?        
1 1 1 -3  9  6  o 1912.740 50.69793 95.28061       4.568185  99.83958       5.600995  86.22227       7.895066  1984.042 55.76100 1841.438 84.68667 142.6046       101.3959 
1 1 1 -3  9  7  o 1475.497 45.24339 57.56330       3.111587  49.43935       5.367439  61.67550       3.818745  1391.743 76.47034 1559.251 48.37502 -167.5079      90.48677 
1 1 1 -3  9  8  o 1195.798 48.49855 36.58039       2.921918  38.02191       4.131484  35.13785       4.132949  1219.700 67.16556 1171.896 69.98019 47.80347       96.99711 
1 1 1 -3  9  9  o 1586.355 53.46346 64.65591       4.256384  73.17031       6.027806  56.18863       6.011100  1693.081 70.32307 1479.628 80.54832 213.4534       106.9269 
1 1 1 -3  9  10 o 2436.266 46.44133 151.5976       5.693489  171.7843       8.089813  131.7859       8.014335  2598.345 61.49759 2274.188 69.60773 324.1570       92.88267 
1 1 1 -3  9  11 o 2370.846 43.37383 145.1464       5.054205  152.8413       6.518318  133.5452       8.003632  2452.474 52.49857 2289.219 69.05835 163.2554       86.74766 
1 1 1 -3  9  12 o 2885.880 48.74043 214.7240       6.935390  222.3779       8.945824  203.1936       10.98006  2954.090 59.81540 2817.670 76.97166 136.4199       97.48086 
1 1 1 -3  9  13 o 2276.705 55.65268 137.0715       5.420987  140.6669       6.238241  125.9827       10.95537  2349.177 52.45208 2204.233 98.17160 144.9443       111.3054 
1 1 1 -3  9  14 o 789.1712 33.23845 15.80655       1.312640  14.97371       1.738291  16.91155       2.002283  765.4094 45.05726 812.9330 48.87761 -47.52356      66.47689 
1 1 1 -3  9  15 o 1068.957 44.72472 29.08637       2.290158  30.75860       3.944503  28.23604       2.812797  1088.938 71.95493 1048.976 53.13842 39.96155       89.44945 
1 1 1 -3  9  16 o 753.5930 38.17430 14.67477       1.446333  14.21034       2.020981  15.16236       2.070775  741.2460 54.23021 765.9399 53.74192 -24.69397      76.34860 
1 1 1 -3  9  17 o 556.4980 45.27422 8.188370       1.249770  8.002945       1.808988  8.357686       1.728634  549.5486 66.36360 563.4474 61.60271 -13.89880      90.54845 
1 1 1 -3  9  18 o 541.4609 53.33558 7.785362       1.371734  8.569356       2.299896  7.352479       1.708979  558.3401 83.96181 524.5816 65.79626 33.75854       106.6712 
1 1 1 -3  9  19 o 724.8025 42.41586 13.93521       1.539886  14.94304       2.198829  12.96515       2.157223  751.6112 58.23962 697.9938 61.68116 53.61737       84.83171 
1 1 1 -3  9  20 o 317.6691 69.90539 3.044615       1.253918  2.393954       2.058943  3.428217       1.580911  293.7892 106.8910 341.5490 90.11857 -47.75986      139.8108 
1 1 1 -3  9  21 o 553.0676 57.15123 8.615241       1.531966  7.302036       1.985149  10.54886       2.408862  501.6267 80.92174 604.5084 80.72623 -102.8816      114.3025 
1 1 1 -3  9  22 o 438.1703 58.93199 5.709877       1.258036  6.155061       1.837357  5.316969       1.726112  454.9739 82.81813 421.3668 83.86343 33.60715       117.8640 
1 1 1 -3  9  23 o 198.9854 61.47390 0.3648783      1.172163  0.2337686      1.628322  0.5058922      1.688704  193.8634 85.38229 204.1073 88.46484 -10.24394      122.9478 
1 1 1 -3  10 1  o 784.8700 36.77077 16.08024       1.366710  16.89056       1.696596  14.58243       2.306628  814.9368 41.25609 754.8032 60.87933 60.13367       73.54154 
1 1 1 -3  10 2  o 693.3976 43.76519 12.24240       1.528483  12.24240       1.528483  0.000000       0.000000  693.3976 43.76519 ?        ?        ?              ?        
1 1 1 -3  10 3  o 1954.209 49.37072 97.22442       4.594759  97.61546       5.621712  96.43756       7.974541  1961.365 56.61435 1947.052 80.89923 14.31274       98.74143 
1 1 1 -3  10 4  o 1383.509 48.11129 48.52473       3.369866  48.52473       3.369866  0.000000       0.000000  1383.509 48.11129 ?        ?        ?              ?        
1 1 1 -3  10 5  o 1054.591 32.57615 28.19079       1.739150  28.65440       2.466557  27.73242       2.452563  1063.221 45.82302 1045.961 46.31492 17.26025       65.15230 
1 1 1 -3  10 6  o 584.6921 31.31943 8.725537       0.9193168 8.388944       1.308494  9.053640       1.291886  573.3690 45.44923 596.0151 43.10447 -22.64612      62.63887 
1 1 1 -3  10 7  o 2485.997 47.09926 157.4140       5.926412  161.4448       8.382393  153.3853       8.380032  2518.012 65.75465 2453.981 67.45138 64.03149       94.19852 
1 1 1 -3  10 8  o 1855.625 50.36552 90.25853       4.398223  94.71465       5.392597  81.40444       7.601353  1929.136 55.21428 1782.114 84.25038 147.0226       100.7310 
1 1 1 -3  10 9  o 926.3472 45.06860 21.78969       2.113643  21.78969       2.113643  0.000000       0.000000  926.3472 45.06860 ?        ?        ?              ?        
1 1 1 -3  10 10 o 1190.322 42.76449 35.08760       2.391831  38.88223       4.344847  33.43762       2.865031  1233.258 69.87562 1147.387 49.32144 85.87085       85.52898 
1 1 1 -3  10 11 o 698.9465 32.20446 12.35513       1.107122  11.98821       1.412093  12.94050       1.783598  686.0481 40.84077 711.8448 49.80502 -25.79675      64.40892 
1 1 1 -3  10 12 o 489.7098 39.62178 6.211283       0.9384044 6.284450       1.203536  6.097827       1.498700  494.6107 48.69453 484.8089 62.51709 9.801788       79.24357 
1 1 1 -3  10 13 o 722.1052 33.74635 13.42718       1.195115  13.74223       1.538245  12.94741       1.898266  733.8347 41.57499 710.3758 53.16750 23.45886       67.49269 
1 1 1 -3  10 14 o 1861.561 38.05606 89.18832       3.498026  91.41538       4.509391  85.82335       5.542946  1893.112 47.04982 1830.011 59.82784 63.10095       76.11213 
1 1 1 -3  10 15 o 594.6140 43.33465 9.222843       1.281055  8.599822       1.838966  9.810220       1.785584  574.0374 64.38738 615.1907 58.01579 -41.15326      86.66930 
1 1 1 -3  10 16 o 788.5366 45.82480 16.00604       1.759550  15.23004       2.212584  17.34112       2.902177  765.4864 57.51284 811.5867 71.35770 -46.10034      91.64960 
1 1 1 -3  10 17 o 532.2919 46.92585 7.542418       1.234476  7.505085       1.800139  7.575561       1.696126  530.1267 68.68697 534.4572 63.95501 -4.330444      93.85171 
1 1 1 -3  10 18 o 808.4590 51.40267 17.59156       1.954166  17.50824       3.372525  17.63368       2.397700  798.6133 84.70635 818.3046 58.25610 -19.69128      102.8053 
1 1 1 -3  10 19 o 556.7288 51.30138 8.531457       1.391732  9.896953       1.966096  7.160085       1.970323  606.1954 65.08179 507.2622 79.32016 98.93320       102.6028 
1 1 1 -3  10 20 o 239.6793 68.39569 0.8612975      1.156703  2.201156       2.246505  0.3779423      1.349308  286.7959 110.1382 192.5628 81.12621 94.23314       136.7914 
1 1 1 -3  10 21 f 403.0379 65.23624 5.138401       1.297975  5.784297       1.689502  4.208089       2.027643  446.0121 77.64251 360.0637 104.8557 85.94846       130.4725 
1 1 1 -3  10 22 o 486.1484 72.77223 7.020664       1.589523  6.149874       1.861716  9.362717       3.053197  451.3429 84.58265 520.9540 118.4439 -69.61108      145.5445 
1 1 1 -3  11 1  o 1826.222 37.25308 84.59490       3.443565  82.55345       4.867912  86.63976       4.871962  1804.125 53.29574 1848.319 52.06469 -44.19421      74.50616 
1 1 1 -3  11 2  o 1414.011 42.21112 51.08372       2.854069  51.82432       3.515444  49.65168       4.888411  1429.715 48.56765 1398.307 69.05286 31.40857       84.42224 
1 1 1 -3  11 3  o 1256.819 31.89653 40.03561       2.029442  40.62184       2.882136  39.45910       2.858143  1265.949 44.96915 1247.689 45.24743 18.25977       63.79306 
1 1 1 -3  11 4  f 712.2000 29.11254 12.89789       1.045218  12.96742       1.480021  12.82870       1.476310  714.1256 41.11002 710.2743 41.23260 3.851318       58.22509 
1 1 1 -3  11 5  o 1233.370 33.55487 38.58787       2.095208  38.85841       2.967288  38.31887       2.958874  1237.687 47.35495 1229.053 47.55236 8.633179       67.10975 
1 1 1 -3  11 6  o 2180.643 43.44275 120.9912       4.795916  122.1786       6.785550  119.8061       6.779353  2191.383 61.16220 2169.903 61.71123 21.47998       86.88550 
1 1 1 -3  11 7  o 1634.454 37.48899 67.98072       3.100850  65.67718       4.382109  70.29090       4.388425  1606.581 53.87618 1662.326 52.14454 -55.74463      74.97797 
1 1 1 -3  11 8  o 870.4929 31.88324 19.29983       1.400214  19.03099       1.979202  19.56921       1.981203  864.3733 45.38655 876.6125 44.79092 -12.23926      63.76649 
1 1 1 -3  11 9  o 1136.368 42.27121 33.24123       2.268592  33.86485       2.774704  31.98382       3.939966  1154.764 47.46133 1117.972 69.96315 36.79175       84.54242 
1 1 1 -3  11 10 o 2108.896 51.86555 111.6205       5.253213  119.4075       9.121079  107.7553       6.426024  2160.523 83.38804 2057.270 61.69747 103.2527       103.7311 
1 1 1 -3  11 11 o 2810.641 60.88277 203.2391       7.474458  203.5854       8.626363  202.1959       14.97183  2825.798 60.29801 2795.484 105.7875 30.31421       121.7655 
1 1 1 -3  11 12 o 950.4150 42.98580 23.38945       1.975790  23.97931       2.491337  22.38960       3.243581  968.6735 50.98032 932.1565 69.22517 36.51703       85.97160 
1 1 1 -3  11 13 o 1231.084 37.17303 38.86802       2.302544  43.69703       3.251004  34.00748       3.261599  1308.834 49.06247 1153.334 55.85885 155.5000       74.34606 
1 1 1 -3  11 14 o 1041.641 34.61706 27.94550       1.767440  28.55101       2.257949  26.98752       2.840086  1058.294 42.14288 1024.988 54.93033 33.30603       69.23412 
1 1 1 -3  11 15 o 840.2979 45.60562 17.88624       1.843858  20.08814       3.162259  16.75199       2.269608  875.8275 71.95341 804.7683 56.05529 71.05920       91.21124 
1 1 1 -3  11 16 o 283.1389 64.34507 2.166491       1.058985  2.558407       1.340015  1.514576       1.728257  304.9930 84.07549 261.2849 97.42928 43.70816       128.6901 
1 1 1 -3  11 17 o 526.8553 65.32637 6.968924       1.434376  6.313762       1.617671  9.378458       3.102292  484.9243 67.74155 568.7863 111.7194 -83.86197      130.6527 
1 1 1 -3  11 18 o 468.0463 59.93402 5.923237       1.346902  7.615859       2.151453  4.832263       1.727265  522.4930 84.19426 413.5995 85.32101 108.8936       119.8680 
1 1 1 -3  11 19 o 224.0660 47.94616 0.3476748      0.9079878 -2.949069      1.353101  3.048255       1.224662  119.8655 59.38409 328.2666 75.29187 -208.4011      95.89232 
1 1 1 -3  11 20 o 325.7990 68.29626 2.232822       1.390433  6.459339       2.360992  -0.1139062E-01 1.720423  453.5350 104.9118 198.0630 87.47014 255.4719       136.5925 
1 1 1 -3  11 21 o 376.7386 70.07487 4.537882       1.346999  4.405993       1.794609  4.708055       2.038502  373.8582 94.70718 379.6191 103.3078 -5.760895      140.1497 
1 1 1 -3  11 22 o 273.0240 80.45522 1.304791       1.550806  0.4165519      1.746949  4.607378       3.368546  205.0931 89.42657 340.9549 133.7724 -135.8618      160.9104 
1 1 1 -3  12 1  o 1853.167 40.96749 87.14271       3.843584  87.43631       5.438240  86.84966       5.433062  1856.292 57.86666 1850.043 58.00682 6.248413       81.93499 
1 1 1 -3  12 2  o 1379.626 35.40754 48.27641       2.472701  47.22273       3.493249  49.33453       3.500617  1364.512 50.56718 1394.741 49.57555 -30.22913      70.81507 
1 1 1 -3  12 3  o 1722.525 47.52601 75.01110       3.900120  76.56941       6.812234  74.25127       4.756865  1734.635 77.57072 1710.414 54.93333 24.22107       95.05202 
1 1 1 -3  12 4  o 1642.927 37.59077 68.54791       3.126177  70.05656       4.425962  67.04589       4.416217  1661.019 52.63194 1624.835 53.68558 36.18469       75.18153 
1 1 1 -3  12 5  o 1336.315 35.03137 45.38384       2.368131  47.64978       3.359709  43.14645       3.338477  1369.582 48.45405 1303.049 50.60625 66.53296       70.06274 
1 1 1 -3  12 6  o 396.0645 34.98308 4.090888       0.6766562 3.465163       0.9706566 4.682444       0.9437820 365.0908 54.15657 427.0383 44.29818 -61.94751      69.96616 
1 1 1 -3  12 7  o 975.7789 39.09709 23.78358       1.834666  22.70362       2.250859  25.92144       3.166894  945.1243 47.04092 1006.434 62.46183 -61.30927      78.19418 
1 1 1 -3  12 8  o 1408.580 42.72269 50.45550       2.875283  50.65796       4.972118  50.35378       3.524334  1409.406 69.68216 1407.753 49.45008 1.653320       85.44538 
1 1 1 -3  12 9  o 1080.093 41.29929 29.72610       2.120012  29.69660       2.595049  29.78530       3.676007  1081.274 47.40522 1078.912 67.64075 2.362183       82.59859 
1 1 1 -3  12 10 o 1404.498 44.25405 50.07885       2.964255  51.18899       5.141920  49.52626       3.627749  1413.585 72.08833 1395.411 51.35131 18.17432       88.50810 
1 1 1 -3  12 11 o 1056.972 32.62514 28.50238       1.715956  28.85120       2.237623  28.00438       2.673630  1065.365 41.48630 1048.580 50.36354 16.78552       65.25028 
1 1 1 -3  12 12 o 446.0838 62.58921 4.862430       1.085368  4.613434       1.193495  6.052826       2.609583  421.0100 57.49765 471.1576 111.1920 -50.14752      125.1784 
1 1 1 -3  12 13 o 762.4490 61.66378 17.63596       1.900468  20.72177       2.281358  10.63873       3.435352  899.2545 50.31212 625.6436 112.5983 273.6108       123.3276 
1 1 1 -3  12 14 o 608.5376 56.39624 8.589429       1.248526  8.062762       1.349694  11.71271       3.286797  559.3328 48.13178 657.7424 102.0072 -98.40961      112.7925 
1 1 1 -3  12 15 o 353.7716 71.33965 3.778374       1.337967  1.714279       2.707578  4.445251       1.539003  302.5678 119.5420 404.9755 77.89160 -102.4077      142.6793 
1 1 1 -3  12 16 f 571.9095 62.32135 8.913962       1.738798  10.08517       2.595962  7.960939       2.341709  606.8448 86.98390 536.9742 89.27264 69.87054       124.6427 
1 1 1 -3  12 17 o 907.1663 48.41042 21.03556       1.838997  20.28891       2.077363  23.74046       3.953939  883.9535 46.58384 930.3791 84.87769 -46.42560      96.82085 
1 1 1 -3  12 18 f 442.0788 66.42175 5.466252       1.359721  6.241984       2.431526  5.113302       1.640136  456.6972 107.0312 427.4604 78.68742 29.23676       132.8435 
1 1 1 -3  12 19 o 298.7120 65.59769 2.621411       1.093454  2.600573       1.481197  2.646367       1.620996  297.7130 90.35898 299.7112 95.11824 -1.998199      131.1954 
1 1 1 -3  12 20 o 216.5136 64.39452 0.6398718      1.161433  1.241300       1.918246  0.2917935      1.459322  240.7438 98.65415 192.2834 82.78873 48.46043       128.7890 
1 1 1 -3  12 21 o 226.7817 65.71112 0.8066442      1.170156  0.8465491E-01  1.443416  2.190874       1.998620  182.9345 80.48381 270.6288 103.8950 -87.69431      131.4222 
1 1 1 -3  12 22 o 287.0470 81.00684 2.436849       1.458691  2.146857       1.600601  3.858129       3.543476  260.7359 94.34005 313.3581 131.7133 -52.62219      162.0137 
1 1 1 -3  13 1  o 1859.608 40.36680 87.87518       3.800247  88.80889       5.375493  86.94227       5.373229  1869.520 56.79427 1849.696 57.37878 19.82397       80.73360 
1 1 1 -3  13 2  o 561.6438 44.22844 8.592979       1.082438  9.230300       1.291605  7.089203       1.984003  601.6425 42.68108 521.6451 77.47868 79.99731       88.45688 
1 1 1 -3  13 3  o 2344.382 56.11405 140.7308       6.255399  139.6075       10.88232  141.2851       7.644585  2333.552 92.11285 2355.211 64.11215 -21.65894      112.2281 
1 1 1 -3  13 4  o 2119.308 51.46069 113.5537       5.214344  118.4837       9.085402  111.1323       6.367438  2150.103 83.46440 2088.512 60.22046 61.59033       102.9214 
1 1 1 -3  13 5  o 784.7451 31.93510 15.70136       1.263274  16.00331       1.797187  15.40645       1.776078  792.2483 44.99282 777.2420 45.33264 15.00629       63.87020 
1 1 1 -3  13 6  o 758.3896 39.55881 15.15705       1.403633  16.03767       1.730703  13.46465       2.399291  793.3981 43.25037 723.3811 66.24955 70.01697       79.11761 
1 1 1 -3  13 7  o 2453.977 57.63868 154.1297       6.750999  154.2523       8.274390  153.8858       11.67577  2459.798 66.44355 2448.156 94.20258 11.64258       115.2774 
1 1 1 -3  13 8  o 1002.582 39.38758 24.94027       1.902688  27.85112       3.288535  23.47550       2.332800  1043.888 62.51269 961.2761 47.93422 82.61151       78.77516 
1 1 1 -3  13 9  o 1282.023 44.30749 42.86504       2.667146  44.57863       3.264314  39.42359       4.626042  1324.260 48.68946 1239.786 74.04019 84.47449       88.61497 
1 1 1 -3  13 10 o 1276.286 43.16359 41.20884       2.633263  43.01053       4.566371  40.31120       3.223162  1294.362 69.94339 1258.209 50.59944 36.15332       86.32718 
1 1 1 -3  13 11 o 405.7620 39.57452 4.262841       0.7871538 4.095146       1.052420  4.475772       1.185903  397.0065 53.74235 414.5174 58.10619 -17.51089      79.14903 
1 1 1 -3  13 12 o 1227.810 44.97424 39.99432       2.338453  41.11286       2.686210  36.49384       4.752007  1270.539 41.76076 1185.081 79.66660 85.45825       89.94848 
1 1 1 -3  13 13 f 976.1128 53.15899 24.48086       2.617101  24.48086       2.617101  0.000000       0.000000  976.1128 53.15899 ?        ?        ?              ?        
1 1 1 -3  13 14 o 886.8027 36.50693 20.75680       1.564814  22.32652       1.999894  18.27849       2.512887  934.3516 42.27785 839.2540 59.52819 95.09760       73.01385 
1 1 1 -3  13 15 o 379.8434 56.54745 3.920016       1.061011  2.643913       1.437480  5.447293       1.572598  309.4940 87.72369 450.1929 71.37933 -140.6989      113.0949 
1 1 1 -3  13 16 o 403.1711 74.56931 4.456182       1.466003  4.456182       1.466003  0.000000       0.000000  403.1711 74.56931 ?        ?        ?              ?        
1 1 1 -3  13 17 o 587.5067 70.49078 11.00875       1.503004  11.70093       1.673716  8.125409       3.416021  668.2978 49.82654 506.7157 131.8830 161.5821       140.9816 
1 1 1 -3  13 18 o 209.2598 61.79770 0.3241347      1.109776  1.232340       1.684352  -0.3725884     1.475268  240.7040 94.54429 177.8155 79.60652 62.88849       123.5954 
1 1 1 -3  13 19 o 266.6392 70.67130 1.848513       1.198335  2.215958       2.247262  1.702517       1.416535  284.0779 109.8691 249.2005 88.91853 34.87738       141.3426 
1 1 1 -3  13 20 f 354.0529 74.96529 3.930479       1.345812  4.926364       2.537853  3.540854       1.587394  372.1875 119.1115 335.9183 91.05837 36.26923       149.9306 
1 1 1 -3  13 21 o 214.5813 64.06334 0.8108048      1.203398  1.255310       1.497359  -0.7693250E-05 2.022310  224.1756 88.79398 204.9870 92.36923 19.18860       128.1267 
1 1 1 -3  13 22 o 227.8833 71.41122 0.9793393      1.546039  1.484091       1.720910  -1.132485      3.520044  231.6380 94.00674 224.1286 107.5220 7.509384       142.8224 
1 1 1 -3  14 1  o 1290.003 34.51704 42.32001       2.254191  42.66358       3.183630  41.97459       3.192202  1295.286 48.54821 1284.720 49.07928 10.56567       69.03409 
1 1 1 -3  14 2  f 811.3282 43.90222 17.78090       1.620479  19.32379       1.975992  14.61212       2.831802  870.8012 44.97462 751.8553 75.41156 118.9459       87.80444 
1 1 1 -3  14 3  o 1618.809 47.40829 67.24319       3.634663  66.14120       6.358163  67.77812       4.429840  1606.201 78.18946 1631.418 53.63388 -25.21716      94.81658 
1 1 1 -3  14 4  o 1888.977 40.60195 90.94373       3.882904  90.89251       5.495059  90.99481       5.487459  1888.433 57.47607 1889.521 57.36354 -1.087646      81.20390 
1 1 1 -3  14 5  o 713.9520 32.56476 13.02303       1.169213  12.41236       1.665645  13.61623       1.641650  697.1859 47.47265 730.7181 44.58926 -33.53229      65.12952 
1 1 1 -3  14 6  o 2775.406 50.91534 196.6755       7.153919  194.9101       10.12048  198.4386       10.11386  2762.842 72.35382 2787.970 71.65480 -25.12793      101.8307 
1 1 1 -3  14 7  o 1098.784 42.36568 31.82484       2.178904  33.82793       2.680476  27.92307       3.741045  1154.009 45.87954 1043.558 71.23533 110.4509       84.73136 
1 1 1 -3  14 8  o 952.9575 39.18592 22.66207       1.788411  24.87929       3.110986  21.56765       2.185667  985.9152 62.65203 919.9999 47.08366 65.91528       78.37185 
1 1 1 -3  14 9  o 1253.434 43.26321 40.57550       2.560908  41.34552       3.131422  39.02050       4.449971  1274.570 48.52822 1232.297 71.63680 42.27234       86.52641 
1 1 1 -3  14 10 o 661.4643 42.20711 11.34758       1.316167  11.06432       2.259039  11.49314       1.619414  653.0486 69.39043 669.8800 48.07003 -16.83142      84.41422 
1 1 1 -3  14 11 o 955.2155 32.16128 23.17390       1.532252  22.57975       2.000343  24.01749       2.383540  941.5707 41.96312 968.8602 48.74924 -27.28949      64.32256 
1 1 1 -3  14 12 o 631.2762 57.22916 11.49690       1.576688  13.43772       1.957811  7.915260       2.659620  722.3503 53.92393 540.2020 100.9600 182.1483       114.4583 
1 1 1 -3  14 13 o 882.6743 45.26394 19.37585       1.932463  23.42916       3.320221  17.29932       2.376462  947.7191 69.68846 817.6295 57.78249 130.0897       90.52789 
1 1 1 -3  14 14 o 537.2101 48.06218 7.505812       1.187655  7.260726       1.430175  8.050329       2.131746  527.4505 54.33566 546.9696 79.29395 -19.51910      96.12437 
1 1 1 -3  14 15 o 236.2332 59.07325 1.060024       0.9272073 2.317202       1.458871  0.2080457      1.200972  290.4917 89.95494 181.9746 76.59443 108.5172       118.1465 
1 1 1 -3  14 16 o 282.3212 66.08064 2.085761       1.072492  1.741135       1.350889  2.673320       1.763889  256.7034 87.12094 307.9391 99.38079 -51.23563      132.1613 
1 1 1 -3  14 17 o 352.5677 81.99971 2.994390       1.302681  2.601204       1.408109  5.329058       3.431227  300.8959 87.31017 404.2394 138.8263 -103.3436      163.9994 
1 1 1 -3  14 18 o 259.0274 57.92192 1.220331       0.9861021 -0.2917019     1.250511  3.706545       1.603526  164.6285 73.52660 353.4264 89.51890 -188.7979      115.8438 
1 1 1 -3  14 19 o 212.8792 68.76913 -0.7151420     1.142341  -1.202009      1.236332  2.126574       2.986897  138.4659 65.66401 287.2924 120.8512 -148.8266      137.5383 
1 1 1 -3  14 20 o 245.5939 75.62266 1.141807       1.663166  1.282194       1.964744  0.7868782      3.124016  237.6467 98.84683 253.5410 114.4747 -15.89433      151.2453 
1 1 1 -3  14 21 o 240.3890 69.10213 1.536021       1.315340  1.866669       1.942026  1.255784       1.787865  252.0114 100.7056 228.7666 94.65092 23.24480       138.2043 
1 1 1 -3  15 1  o 2348.145 54.95911 139.4644       6.208939  135.3697       7.619972  147.5541       10.71046  2301.957 65.38415 2394.332 88.35683 -92.37500      109.9182 
1 1 1 -3  15 2  o 1518.920 46.76738 58.99785       3.364228  58.98509       4.100750  59.02412       5.883580  1522.018 53.21818 1515.822 76.91928 6.195435       93.53475 
1 1 1 -3  15 3  o 814.4077 33.31496 16.91691       1.367674  17.18832       1.940198  16.64885       1.928223  820.9522 46.87588 807.8632 47.35187 13.08899       66.62993 
1 1 1 -3  15 4  o 1156.072 32.75407 33.96280       1.917012  33.86118       2.717212  34.06350       2.704960  1154.333 46.49525 1157.811 46.14660 -3.477051      65.50814 
1 1 1 -3  15 5  o 1826.267 39.94906 84.90276       3.692394  87.66260       5.232947  82.16623       5.210792  1855.969 55.69191 1796.564 57.28980 59.40417       79.89812 
1 1 1 -3  15 6  o 2376.198 46.02479 143.9906       5.536710  145.0321       7.837390  142.9529       7.822810  2384.824 64.91298 2367.573 65.26431 17.25049       92.04958 
1 1 1 -3  15 7  o 651.2416 39.28958 10.57213       1.240556  9.763369       1.542826  12.05152       2.086652  617.5875 49.76637 684.8958 60.81112 -67.30823      78.57915 
1 1 1 -3  15 8  f 877.9251 40.24150 19.73015       1.681422  19.70595       2.066590  19.77754       2.892049  878.8149 46.61535 877.0353 65.60886 1.779541       80.48299 
1 1 1 -3  15 9  o 886.5571 33.37498 20.08202       1.492215  19.48451       2.100733  20.69055       2.120020  873.1212 47.70455 899.9930 46.68868 -26.87183      66.74996 
1 1 1 -3  15 10 o 1454.980 46.20657 55.10379       3.178955  52.60112       5.499886  56.35939       3.895615  1424.881 76.52160 1485.080 51.81345 -60.19934      92.41314 
1 1 1 -3  15 11 o 1189.375 35.62155 36.23936       2.141057  38.33199       3.007747  34.08967       3.048489  1224.684 48.51027 1154.065 52.17598 70.61865       71.24310 
1 1 1 -3  15 12 o 261.1099 53.35193 1.813392       0.7407700 1.815359       0.9835477 1.810813       1.126071  260.4258 72.12568 261.7939 78.63588 -1.368134      106.7039 
1 1 1 -3  15 13 o 781.3326 35.04900 15.90559       1.346911  16.49262       1.748914  15.04986       2.111564  801.0984 43.28261 761.5668 55.13934 39.53162       70.09801 
1 1 1 -3  15 14 o 1511.326 43.53086 58.24183       2.927167  56.64567       3.390112  62.91821       5.802722  1482.803 45.15928 1539.849 74.43375 -57.04602      87.06172 
1 1 1 -3  15 15 o 617.7690 50.51833 10.65168       1.473291  12.00476       1.917306  8.700800       2.302201  674.8790 56.63916 560.6590 83.66847 114.2200       101.0367 
1 1 1 -3  15 16 o 659.0585 52.71228 12.35548       1.589319  13.41399       1.977390  10.42378       2.671246  711.9786 55.29193 606.1384 89.76159 105.8402       105.4246 
1 1 1 -3  15 17 o 883.1371 45.82327 21.01276       1.831159  20.88984       2.169352  21.31742       3.415200  891.3245 48.25375 874.9497 77.91446 16.37482       91.64653 
1 1 1 -3  15 18 o 465.4242 56.89362 6.993448       1.195225  9.306081       1.557631  3.681936       1.863908  588.4921 52.84380 342.3563 100.7724 246.1358       113.7872 
1 1 1 -3  15 19 o 347.2277 60.07279 3.902199       1.123362  5.421331       1.522045  2.084527       1.664897  431.7040 72.18886 262.7514 96.04025 168.9526       120.1456 
1 1 1 -3  15 20 o 253.1505 59.99924 1.480511       1.239970  -2.107850      1.980952  3.792205       1.589978  163.4893 78.98228 342.8116 90.34066 -179.3223      119.9985 
1 1 1 -3  15 21 o 292.1308 66.80964 3.037158       1.196571  3.707677       1.516121  1.929643       1.948513  335.1537 88.16703 249.1078 100.4026 86.04590       133.6193 
1 1 1 -3  16 1  o 2107.342 44.30362 113.2358       4.726514  111.9626       6.677693  114.5140       6.690928  2095.400 62.94712 2119.284 62.36106 -23.88403      88.60723 
1 1 1 -3  16 2  o 1990.189 51.05549 100.0828       4.854024  104.6595       8.476195  97.84943       5.921064  2020.680 82.85522 1959.699 59.67970 60.98022       102.1110 
1 1 1 -3  16 3  o 1934.518 41.78477 95.33607       4.092309  95.84388       5.784738  94.82734       5.790062  1939.713 58.90641 1929.322 59.27818 10.39075       83.56953 
1 1 1 -3  16 4  o 1821.396 39.56061 84.47240       3.644255  89.47968       5.184965  79.58390       5.123103  1874.991 54.62143 1767.801 57.24218 107.1902       79.12122 
1 1 1 -3  16 5  o 1041.469 33.93246 27.55152       1.788135  28.83629       2.571502  26.34867       2.488167  1064.982 47.69369 1017.955 48.28001 47.02734       67.86491 
1 1 1 -3  16 6  o 1361.584 35.06228 47.17870       2.416500  48.40851       3.429216  45.96563       3.405798  1379.279 49.10879 1343.890 50.05778 35.38855       70.12457 
1 1 1 -3  16 7  f 1351.111 43.94444 46.72777       2.831021  46.70730       3.474359  46.76821       4.883630  1353.838 50.69025 1348.385 71.79802 5.452881       87.88889 
1 1 1 -3  16 8  o 690.3352 43.05540 12.70556       1.372429  13.48652       1.683004  11.15545       2.371129  726.0754 46.02263 654.5950 72.78040 71.48047       86.11079 
1 1 1 -3  16 9  o 657.0064 33.90561 11.07526       1.116980  10.06778       1.560678  12.13326       1.599328  625.8989 49.66002 688.1139 46.17622 -62.21497      67.81121 
1 1 1 -3  16 10 o 721.6312 49.21299 13.37575       1.787226  0.000000       0.000000  13.37575       1.787226  ?        ?        721.6312 49.21299 ?              ?        
1 1 1 -3  16 11 o 1119.805 35.11438 32.13545       1.990315  32.27007       2.790078  31.99597       2.840049  1122.345 49.10281 1117.265 50.20949 5.079346       70.22876 
1 1 1 -3  16 12 o 368.1176 56.76894 3.720330       1.019658  3.510212       1.561288  3.876606       1.346470  357.0656 87.13579 379.1697 72.78875 -22.10416      113.5379 
1 1 1 -3  16 13 o 552.4204 41.77671 8.039856       1.148728  8.368543       1.613849  7.702307       1.635459  564.6274 57.24846 540.2134 60.85875 24.41400       83.55341 
1 1 1 -3  16 14 o 414.5853 47.04410 4.420534       0.9300081 3.623069       1.167014  5.808321       1.539508  365.3012 65.50839 463.8694 67.53696 -98.56818      94.08820 
1 1 1 -3  16 15 o 733.3741 50.75056 15.17383       1.717422  16.50042       2.140561  12.77694       2.877287  791.3168 53.74970 675.4314 86.10139 115.8854       101.5011 
1 1 1 -3  16 16 o 372.2308 82.05878 3.981876       1.504769  3.981876       1.504769  0.000000       0.000000  372.2308 82.05878 ?        ?        ?              ?        
1 1 1 -3  16 17 o 159.7020 52.53263 -0.8922537     0.9928004 -1.004072      1.638094  -0.8273340     1.248160  170.2095 79.05901 149.1944 69.19814 21.01512       105.0653 
1 1 1 -3  16 18 f 614.7734 58.98875 10.41872       1.813438  10.41872       1.813438  0.000000       0.000000  614.7734 58.98875 ?        ?        ?              ?        
1 1 1 -3  16 19 o 349.4972 64.89292 4.481987       1.221840  5.282620       1.433188  2.351912       2.337673  425.7666 68.83782 273.2278 110.0260 152.5388       129.7858 
1 1 1 -3  16 20 o 235.1533 67.04826 1.237237       1.255474  2.686575       1.962564  0.2332706      1.633422  279.0256 103.8674 191.2809 84.81418 87.74474       134.0965 
1 1 1 -3  16 21 o 203.3828 86.04073 0.9458588      1.527897  0.9458588      1.527897  0.000000       0.000000  203.3828 86.04073 ?        ?        ?              ?        
1 1 1 -3  17 1  o 1495.410 53.53273 57.32013       4.039565  61.29179       5.769082  53.49975       5.658149  1547.719 73.62598 1443.101 77.73176 104.6179       107.0655 
1 1 1 -3  17 2  o 1042.709 43.82038 27.08548       2.105271  29.56522       3.937231  26.09262       2.491337  1072.562 72.94115 1012.856 48.58489 59.70667       87.64076 
1 1 1 -3  17 3  o 1932.816 40.28823 95.21346       3.942126  96.30122       5.574709  94.12545       5.575307  1943.934 56.64441 1921.698 57.30600 22.23645       80.57646 
1 1 1 -3  17 4  o 1103.887 44.13004 30.77886       2.261993  32.22433       4.135273  30.16170       2.702073  1119.162 73.39035 1088.612 49.02754 30.54968       88.26009 
1 1 1 -3  17 5  o 916.6008 41.54446 21.21628       1.845858  20.38849       2.296613  22.72675       3.102316  893.0585 51.00697 940.1430 65.59008 -47.08447      83.08893 
1 1 1 -3  17 6  o 266.4911 53.24301 1.658936       0.7071686 1.276039       0.8422813 2.573583       1.301797  222.7612 68.24713 310.2212 81.74107 -87.45999      106.4860 
1 1 1 -3  17 7  o 814.2576 42.15454 16.73279       1.597548  17.98894       2.905256  16.18834       1.912677  833.3359 69.49604 795.1792 47.73177 38.15674       84.30908 
1 1 1 -3  17 8  o 1203.477 42.39804 36.66416       2.452749  35.41821       3.013417  39.10995       4.222003  1176.942 50.57321 1230.011 68.06413 -53.06946      84.79608 
1 1 1 -3  17 9  o 1178.569 43.55799 35.95685       2.424560  35.38903       4.230860  36.23451       2.958549  1167.039 71.95866 1190.099 49.10344 -23.06042      87.11599 
1 1 1 -3  17 10 o 645.4581 36.09826 10.77470       1.166626  11.15834       1.611122  10.35182       1.691530  658.1879 48.69545 632.7283 53.30188 25.45959       72.19651 
1 1 1 -3  17 11 o 525.7405 48.96709 7.399686       1.156616  7.528749       1.389261  7.108180       2.087890  538.4720 51.59250 513.0089 83.24252 25.46313       97.93418 
1 1 1 -3  17 12 o 272.0582 56.73988 1.704516       0.8987907 3.335716       1.424127  0.6246914      1.158702  346.9267 82.32091 197.1897 78.10841 149.7370       113.4798 
1 1 1 -3  17 13 o 365.4980 50.35995 3.776311       0.8808649 4.292049       1.154924  3.059060       1.361991  400.8915 58.63769 330.1044 81.89091 70.78711       100.7199 
1 1 1 -3  17 14 o 274.1318 55.57697 1.821449       0.8179959 1.057710       1.011464  3.265275       1.390706  209.3672 75.09109 338.8965 81.95440 -129.5294      111.1539 
1 1 1 -3  17 15 o 454.8328 62.49690 6.651857       1.282409  7.868518       1.567520  4.189370       2.230054  541.4541 58.09069 368.2114 110.6748 173.2427       124.9938 
1 1 1 -3  17 16 f 748.5502 57.78878 15.08505       2.173065  15.08505       2.173065  0.000000       0.000000  748.5502 57.78878 ?        ?        ?              ?        
1 1 1 -3  17 17 o 489.1507 67.42651 7.763643       1.570989  9.412045       2.064643  5.496877       2.421123  574.6632 72.58447 403.6382 113.6523 171.0250       134.8530 
1 1 1 -3  17 18 o 221.1510 59.70107 1.318406       0.9327865 1.545177       1.183653  0.9467804      1.515244  230.2535 81.37457 212.0484 87.37878 18.20503       119.4021 
1 1 1 -3  17 19 o 809.5223 47.26906 19.32221       1.789608  20.23604       2.225335  17.64925       3.010970  857.8295 51.47829 761.2153 79.29339 96.61420       94.53812 
1 1 1 -3  17 20 o 242.3433 69.54481 1.819662       1.351543  2.306395       1.860164  1.275384       1.967052  258.5989 99.97504 226.0877 96.70010 32.51125       139.0896 
1 1 1 -3  18 1  o 975.2849 44.34474 24.92143       1.988607  25.76164       2.395708  23.05985       3.565994  1005.915 47.04235 944.6549 75.18539 61.26001       88.68948 
1 1 1 -3  18 2  o 699.6431 51.82181 13.17550       1.555014  11.72712       2.998813  13.70819       1.818620  667.4405 91.12823 731.8456 49.37251 -64.40515      103.6436 
1 1 1 -3  18 3  o 406.2344 42.44814 4.320138       0.8434119 3.922877       1.196116  4.712978       1.189441  386.5710 63.30891 425.8978 56.56290 -39.32684      84.89629 
1 1 1 -3  18 4  o 1350.340 36.01302 46.52939       2.461811  47.28838       3.502657  45.78844       3.460772  1361.244 50.82509 1339.436 51.03491 21.80750       72.02605 
1 1 1 -3  18 5  o 1034.619 33.30333 27.30893       1.744135  26.69393       2.463001  27.92751       2.470172  1022.855 47.56273 1046.383 46.62867 -23.52716      66.60666 
1 1 1 -3  18 6  o 803.9982 42.87247 16.70951       1.620118  16.75139       1.974676  16.62327       2.833749  808.3616 48.47485 799.6346 70.72752 8.726990       85.74493 
1 1 1 -3  18 7  o 286.9683 57.29351 1.680110       1.005176  4.063242       1.578779  0.5554952E-01  1.303513  387.9607 82.89661 185.9759 79.10965 201.9847       114.5870 
1 1 1 -3  18 8  o 229.6284 53.01806 1.285606       0.8071028 2.083833       0.9958159 -0.2426835     1.377903  278.3263 70.57127 180.9306 79.14137 97.39566       106.0361 
1 1 1 -3  18 9  f 696.0752 42.32655 12.16171       1.404970  13.98595       2.457265  11.27570       1.712501  731.4753 67.10229 660.6750 51.60843 70.80023       84.65310 
1 1 1 -3  18 10 o 914.7244 34.53981 21.56896       1.592138  20.32538       2.230407  22.86101       2.273455  887.4302 49.84578 942.0186 47.82670 -54.58832      69.07963 
1 1 1 -3  18 11 o 583.4402 51.84525 9.269083       1.345137  9.491530       1.607579  8.749678       2.456470  602.9963 53.20468 563.8841 88.99989 39.11224       103.6905 
1 1 1 -3  18 12 o 783.4701 45.35519 16.46582       1.696772  15.71805       2.823727  16.88842       2.122755  763.2900 74.00130 803.6501 52.46122 -40.36005      90.71037 
1 1 1 -3  18 13 o 246.5926 55.18244 1.691598       0.7963527 2.097980       1.014621  1.039607       1.285162  273.9671 72.15229 219.2181 83.51319 54.74893       110.3649 
1 1 1 -3  18 14 o 740.7971 37.75423 14.67446       1.371109  15.19216       1.777449  13.91374       2.154608  761.2492 46.34031 720.3449 59.61629 40.90430       75.50845 
1 1 1 -3  18 15 o 298.1095 65.81758 2.702738       1.108369  3.041910       1.373049  2.068331       1.877843  321.7043 83.55547 274.5146 101.7168 47.18970       131.6352 
1 1 1 -3  18 16 o 258.9570 85.43156 1.963350       1.300160  1.963350       1.300160  0.000000       0.000000  258.9570 85.43156 ?        ?        ?              ?        
1 1 1 -3  18 17 o 285.2332 69.85909 2.579778       1.364591  3.906068       1.823244  0.8906478      2.057582  342.4359 99.34641 228.0303 98.24184 114.4056       139.7182 
1 1 1 -3  18 18 o 195.4370 57.57701 0.4576794      1.087152  1.578317       1.293051  -2.244889      2.008036  229.9250 84.54774 160.9489 78.18008 68.97606       115.1540 
1 1 1 -3  18 19 o 404.3135 63.97812 5.347630       1.259990  4.886604       1.632345  6.027230       1.981874  387.9089 85.42857 420.7181 95.26153 -32.80920      127.9562 
1 1 1 -3  18 20 o 440.6671 64.39169 6.329834       1.339590  5.226818       1.647484  8.482011       2.301279  393.6246 85.14735 487.7095 96.61827 -94.08490      128.7834 
1 1 1 -3  19 1  o 1442.844 44.60013 52.65975       3.116020  56.21917       5.311133  50.79147       3.847854  1476.675 71.04253 1409.013 53.94111 67.66248       89.20026 
1 1 1 -3  19 2  o 1079.537 34.63987 29.75839       1.892575  30.85635       2.700198  28.69814       2.653426  1099.196 48.52182 1059.878 49.45014 39.31775       69.27975 
1 1 1 -3  19 3  o 1163.233 40.76714 33.81429       2.317245  31.30493       2.884382  38.38179       3.891447  1106.273 51.49995 1220.193 63.21072 -113.9198      81.53429 
1 1 1 -3  19 4  o 246.1159 46.22012 1.542204       0.6887223 2.779112       0.9467655 0.1519771      1.003730  323.9506 59.93463 168.2813 70.37781 155.6693       92.44023 
1 1 1 -3  19 5  o 2038.073 53.48479 109.4663       5.170317  112.7494       6.355156  103.0393       8.891688  2093.506 59.96094 1982.640 88.58428 110.8655       106.9696 
1 1 1 -3  19 6  o 1000.259 43.22956 25.36521       2.053996  24.38690       2.496439  27.41525       3.613810  974.1682 50.79374 1026.349 69.96552 -52.18127      86.45911 
1 1 1 -3  19 7  o 544.9172 74.49515 7.867365       2.001314  0.000000       0.000000  7.867365       2.001314  ?        ?        544.9172 74.49515 ?              ?        
1 1 1 -3  19 8  o 906.6508 41.67323 20.17150       1.807072  17.89732       2.186219  25.07651       3.210703  832.4684 52.13605 980.8331 65.02666 -148.3647      83.34647 
1 1 1 -3  19 9  o 740.0262 46.24258 14.84417       1.597343  12.96932       2.691808  15.86320       1.984521  697.0806 77.59074 782.9719 50.33072 -85.89130      92.48516 
1 1 1 -3  19 10 o 175.9758 50.77314 0.3497248      0.7231121 0.6553741      0.9250594 -0.1304444     1.159458  184.9540 70.75922 166.9976 72.83391 17.95636       101.5463 
1 1 1 -3  19 11 o 722.3412 46.94250 13.65654       1.563049  13.20755       1.867823  14.70559       2.855070  709.9480 52.33576 734.7344 77.94462 -24.78644      93.88501 
1 1 1 -3  19 12 o 544.3833 40.73070 7.888019       1.103760  7.341001       1.527245  8.486143       1.596994  524.0181 58.56953 564.7485 56.61775 -40.73047      81.46140 
1 1 1 -3  19 13 o 372.3591 52.79733 4.037960       0.9439266 4.595140       1.235897  3.257929       1.462313  410.6299 61.32905 334.0884 85.95916 76.54141       105.5947 
1 1 1 -3  19 14 o 194.2596 52.53698 0.5328669      0.8072480 -0.5432194     1.149822  1.578793       1.133594  149.7783 68.34047 238.7408 79.81303 -88.96251      105.0740 
1 1 1 -3  19 15 o 257.6425 62.66098 1.962790       1.051101  2.573425       1.282467  0.7132532      1.834553  293.3373 82.75938 221.9477 94.10886 71.38959       125.3220 
1 1 1 -3  19 16 o 392.7503 84.24590 4.732821       1.624909  4.732821       1.624909  0.000000       0.000000  392.7503 84.24590 ?        ?        ?              ?        
1 1 1 -3  19 17 o 548.7625 53.89028 8.935499       1.341948  8.662907       1.617136  9.538333       2.404851  553.1595 58.63893 544.3654 90.43299 8.794128       107.7806 
1 1 1 -3  19 18 o 694.3156 60.32571 16.00831       1.695497  17.09669       1.993642  13.16371       3.223061  785.7012 50.38499 602.9299 109.6272 182.7713       120.6514 
1 1 1 -3  19 19 o 146.8211 49.66819 -1.045890      1.005445  -0.3802018     1.156992  -3.099403      2.032094  146.3173 67.42432 147.3249 72.94984 -1.007614      99.33639 
1 1 1 -3  20 1  o 879.3282 50.87168 19.90931       2.201830  21.57919       3.525506  18.84144       2.819280  907.2006 77.50365 851.4557 65.91582 55.74487       101.7434 
1 1 1 -3  20 2  o 1228.559 36.11813 38.69000       2.246019  39.81951       3.198042  37.59062       3.155093  1246.370 50.68197 1210.748 51.47245 35.62219       72.23625 
1 1 1 -3  20 3  o 398.0659 44.94025 4.216702       0.8676336 4.833764       1.220207  3.585667       1.233946  429.7876 57.52118 366.3441 69.06387 63.44345       89.88050 
1 1 1 -3  20 4  o 884.7790 35.21687 20.13713       1.570277  20.99388       2.231476  19.29673       2.210091  903.7157 48.95530 865.8423 50.63883 37.87341       70.43375 
1 1 1 -3  20 5  o 862.5455 42.00120 19.40735       1.759162  18.82095       2.862226  19.76333       2.230094  849.1438 67.12656 875.9472 50.50177 -26.80341      84.00240 
1 1 1 -3  20 6  o 836.6295 44.05185 18.23136       1.745298  18.23291       2.141671  18.22828       3.011373  840.6830 50.55459 832.5759 72.15605 8.107056       88.10370 
1 1 1 -3  20 7  o 927.4586 44.65062 23.07667       1.922934  24.27499       2.351551  20.65817       3.340736  971.6118 47.80552 883.3054 75.42773 88.30640       89.30123 
1 1 1 -3  20 8  o 934.7793 35.19327 22.60538       1.658732  23.51394       2.385046  21.75425       2.308434  953.0740 49.60086 916.4846 49.94016 36.58936       70.38654 
1 1 1 -3  20 9  o 742.6027 45.67358 14.70293       1.615358  14.35677       2.713935  14.89285       2.010225  730.2388 74.45062 754.9666 52.92831 -24.72784      91.34715 
1 1 1 -3  20 10 o 673.2289 38.43707 11.98247       1.293033  12.53943       1.778371  11.35777       1.883396  691.4718 51.16326 654.9860 57.37556 36.48578       76.87415 
1 1 1 -3  20 11 o 183.6537 53.70737 0.2233617      0.8432807 -0.4174879     1.157946  0.9470568      1.230518  155.5167 70.00327 211.7907 81.47067 -56.27405      107.4147 
1 1 1 -3  20 12 o 734.4370 37.63007 14.31096       1.387879  13.74640       1.904441  14.95040       2.026781  719.3182 52.66136 749.5558 53.76679 -30.23767      75.26013 
1 1 1 -3  20 13 o 215.0284 57.10343 0.8556930      0.8619630 0.1779350      1.100197  1.932935       1.387043  169.7621 72.45663 260.2947 88.27935 -90.53258      114.2069 
1 1 1 -3  20 14 o 198.3338 58.57564 0.5482007      0.9905231 0.1915748      1.452515  0.8582116      1.354262  188.7798 81.93346 207.8877 83.73367 -19.10796      117.1513 
1 1 1 -3  20 15 o 203.8072 62.46163 0.3102937      1.149608  -0.1699455     1.437739  1.161652       1.914290  174.6657 78.36414 232.9486 97.28763 -58.28293      124.9233 
1 1 1 -3  20 16 o 337.4531 77.19535 3.378417       1.465093  7.173678       2.736229  1.852981       1.734717  429.1210 120.8200 245.7851 96.11977 183.3359       154.3907 
1 1 1 -3  20 17 o 242.2641 68.06800 1.871428       1.298623  2.504158       1.686542  0.9499685      2.035289  266.5509 96.77894 217.9773 95.74365 48.57362       136.1360 
1 1 1 -3  20 18 o 224.4878 67.21739 1.298963       1.287397  0.7146001      1.631244  2.264040       2.096323  197.8668 86.34118 251.1087 103.0433 -53.24191      134.4348 
1 1 1 -3  20 19 o 298.8648 68.64548 3.120072       1.141377  2.130308       1.373739  5.326382       2.051028  241.0746 87.37254 356.6550 105.9002 -115.5804      137.2910 
1 1 1 -3  21 1  o 567.8253 67.12349 8.490444       1.892297  0.000000       0.000000  8.490444       1.892297  ?        ?        567.8253 67.12349 ?              ?        
1 1 1 -3  21 2  o 225.4711 52.57541 1.208608       0.6777129 0.9722383      0.8479894 1.626496       1.127519  201.0327 69.01624 249.9095 79.33129 -48.87674      105.1508 
1 1 1 -3  21 3  f 531.9641 45.71067 7.370421       1.182571  7.044738       1.517505  7.874055       1.887078  518.7199 58.82492 545.2083 69.98207 -26.48840      91.42134 
1 1 1 -3  21 4  o 599.2437 45.14039 9.412883       1.283868  9.358372       1.593115  9.513873       2.168434  600.1327 52.97827 598.3547 73.10213 1.778015       90.28078 
1 1 1 -3  21 5  o 587.6624 56.82153 9.026913       1.669437  9.026913       1.669437  0.000000       0.000000  587.6624 56.82153 ?        ?        ?              ?        
1 1 1 -3  21 6  o 812.4999 58.64416 18.34400       2.277511  15.00467       3.503864  20.78706       2.996983  737.4919 96.12952 887.5078 67.19869 -150.0158      117.2883 
1 1 1 -3  21 7  o 1490.704 46.01068 56.88132       3.293928  53.50949       4.013843  63.83523       5.764233  1433.034 55.32484 1548.374 73.53294 -115.3402      92.02137 
1 1 1 -3  21 8  o 665.4283 46.06417 12.04624       1.440156  11.12273       2.421071  12.55195       1.791591  638.6536 76.39498 692.2031 51.49212 -53.54956      92.12834 
1 1 1 -3  21 9  o 299.8406 61.18265 2.630676       0.9838822 2.076076       1.614312  2.958438       1.241013  276.0367 95.19845 323.6445 76.87992 -47.60779      122.3653 
1 1 1 -3  21 10 o 753.4181 49.78260 15.68676       1.754427  16.01445       2.159517  15.05058       3.008906  775.9162 55.33686 730.9200 82.77113 44.99622       99.56519 
1 1 1 -3  21 11 o 200.6280 60.66006 0.3476895      1.045144  0.3994780      1.798399  0.3212786      1.284285  214.6185 92.14556 186.6376 78.91622 27.98090       121.3201 
1 1 1 -3  21 12 o 194.9793 52.98527 0.5798265      0.8377983 1.577693       1.112921  -0.7252299     1.272750  237.0858 79.08070 152.8728 70.54075 84.21298       105.9705 
1 1 1 -3  21 13 o 261.9260 60.54538 2.009718       0.9087628 1.876230       1.166388  2.215927       1.449688  252.7050 80.73688 271.1469 90.24703 -18.44191      121.0908 
1 1 1 -3  21 14 o 187.0112 55.83080 0.5022859      0.8874377 0.6437308      1.103378  0.2431674      1.493413  185.0329 75.20690 188.9895 82.53627 -3.956619      111.6616 
1 1 1 -3  21 15 o 380.7533 113.7606 5.514086       2.361356  5.514086       2.361356  0.000000       0.000000  380.7533 113.7606 ?        ?        ?              ?        
1 1 1 -3  21 16 o 182.0173 60.53028 -0.5237150     1.366786  -1.741636      2.581223  -0.4918150E-01 1.611200  185.5002 89.75124 178.5345 81.24268 6.965637       121.0606 
1 1 1 -3  21 17 o 273.4573 74.59813 2.646063       1.408286  1.737503       1.731090  4.424151       2.421694  231.2656 94.12241 315.6489 115.7605 -84.38333      149.1963 
1 1 1 -3  21 18 f 279.3170 70.80532 2.175715       1.215305  0.8004327      1.405938  6.240662       2.417118  188.6447 81.24110 369.9893 115.9890 -181.3447      141.6106 
1 1 1 -3  22 1  o 885.6141 37.04031 20.35812       1.652686  19.62880       2.323922  21.10440       2.350811  869.2290 53.06261 901.9993 51.69426 -32.77032      74.08061 
1 1 1 -3  22 2  o 905.3588 41.18494 20.77274       1.816606  19.04567       2.259788  23.92755       3.054214  856.2306 52.38260 954.4869 63.56776 -98.25635      82.36987 
1 1 1 -3  22 3  o 816.6577 43.49782 17.50686       1.711785  17.45900       2.141138  17.59164       2.849651  819.4052 51.88116 813.9103 69.83256 5.494812       86.99564 
1 1 1 -3  22 4  o 188.2283 49.01262 0.5696698      0.7338845 1.420876       0.8845074 -1.311014      1.314746  230.3318 69.80737 146.1248 68.81771 84.20703       98.02523 
1 1 1 -3  22 5  o 595.2396 55.99050 9.333303       1.667461  9.333303       1.667461  0.000000       0.000000  595.2396 55.99050 ?        ?        ?              ?        
1 1 1 -3  22 6  o 434.1720 68.63553 4.967777       1.387418  7.084249       2.532713  4.060354       1.658381  491.3271 105.0050 377.0168 88.41547 114.3102       137.2711 
1 1 1 -3  22 7  o 482.3082 47.82963 6.482429       1.088296  4.576529       1.546971  8.349946       1.531315  403.5415 78.54600 561.0750 54.60054 -157.5335      95.65926 
1 1 1 -3  22 8  o 478.6027 57.82277 6.721530       1.263824  5.745877       2.128951  7.252455       1.570488  439.1519 98.21709 518.0535 61.05159 -78.90158      115.6455 
1 1 1 -3  22 9  o 400.3140 50.54153 4.505346       0.9863632 4.607105       1.384938  4.400598       1.405138  405.8180 69.93330 394.8100 72.98712 11.00797       101.0831 
1 1 1 -3  22 10 o 199.7390 60.30500 0.2967326      0.9887380 0.4209154E-01  1.174535  0.9160911      1.831777  169.3416 73.58729 230.1364 95.55984 -60.79478      120.6100 
1 1 1 -3  22 11 o 882.1387 48.57660 21.83693       1.998458  21.41436       3.487750  22.04349       2.438453  859.4487 81.11639 904.8286 53.46843 -45.37982      97.15319 
1 1 1 -3  22 12 o 257.1886 67.73817 1.884891       1.162405  2.144865       1.837268  1.711370       1.501016  268.3785 100.3800 245.9987 90.98187 22.37985       135.4763 
1 1 1 -3  22 13 o 198.3193 61.11404 0.4073606      1.132933  0.2654200      1.829715  0.4956152      1.442776  202.8741 89.86935 193.7645 82.84444 9.109665       122.2281 
1 1 1 -3  22 14 o 235.1917 64.65691 1.690007       1.159006  2.237877       1.344686  0.1069307      2.285774  261.3407 86.91412 209.0427 95.74967 52.29803       129.3138 
1 1 1 -3  22 15 o 221.3073 86.40188 1.512779       1.399887  1.512779       1.399887  0.000000       0.000000  221.3073 86.40188 ?        ?        ?              ?        
1 1 1 -3  22 16 o 343.4257 80.97277 5.781821       1.829185  4.172007       3.781585  6.273521       2.089950  279.4069 126.0693 407.4446 101.6509 -128.0377      161.9455 
1 1 1 -3  22 17 o 276.9240 69.43246 2.505089       1.161311  1.419862       1.373934  5.220201       2.173197  210.0821 84.43739 343.7658 110.2442 -133.6836      138.8649 
1 1 1 -3  23 1  o 438.3006 49.02484 5.407382       1.015209  4.058624       1.505835  6.531249       1.374572  380.2246 80.72225 496.3766 55.65662 -116.1520      98.04968 
1 1 1 -3  23 2  o 672.2174 37.34731 11.88164       1.257654  10.87498       1.759972  12.93205       1.797814  642.0779 54.66227 702.3569 50.90505 -60.27899      74.69463 
1 1 1 -3  23 3  f 302.9754 57.51859 2.751168       0.9269122 3.352307       1.157843  1.678375       1.546749  348.8333 68.00480 257.1176 92.78416 91.71570       115.0372 
1 1 1 -3  23 4  o 198.8845 54.46691 0.7418043      0.7644836 0.5514320      0.9716977 1.051066       1.238489  180.3453 71.49910 217.4238 82.18549 -37.07849      108.9338 
1 1 1 -3  23 5  o 616.3544 55.17752 10.10770       1.703556  10.10770       1.703556  0.000000       0.000000  616.3544 55.17752 ?        ?        ?              ?        
1 1 1 -3  23 6  o 452.1383 46.86221 5.652690       1.030923  6.408966       1.451490  4.882810       1.464487  486.3463 60.23902 417.9302 71.80199 68.41608       93.72441 
1 1 1 -3  23 7  o 418.5103 67.89750 5.298978       1.407581  5.161937       2.032431  5.425295       1.951287  411.1600 98.85560 425.8605 93.10131 -14.70056      135.7950 
1 1 1 -3  23 8  o 391.8641 62.59859 4.624304       1.164806  4.474973       2.001786  4.700749       1.432247  377.0520 102.2750 406.6762 72.20913 -29.62421      125.1972 
1 1 1 -3  23 9  o 690.2797 40.61173 12.97658       1.405742  13.24268       1.976505  12.70418       1.999738  698.3485 56.38472 682.2109 58.46378 16.13763       81.22346 
1 1 1 -3  23 10 o 511.8168 67.08008 8.186509       1.665912  8.868912       2.295265  7.426837       2.421729  543.0597 86.37646 480.5738 102.6550 62.48587       134.1602 
1 1 1 -3  23 11 o 457.5573 81.67044 7.346234       1.892060  7.327736       2.668852  7.364926       2.682757  457.1745 115.3200 457.9401 115.6786 -0.7656555     163.3409 
1 1 1 -3  23 12 o 351.4323 67.34849 4.484789       1.277222  5.188750       1.536484  2.910576       2.297658  414.5869 76.00387 288.2775 111.2056 126.3094       134.6970 
1 1 1 -3  23 13 o 313.0726 59.32264 3.441353       1.062701  4.658383       1.392594  1.744484       1.644363  389.4306 73.32389 236.7147 93.27544 152.7159       118.6453 
1 1 1 -3  23 14 o 210.3671 60.94027 1.088044       1.015813  0.5100399      1.283478  2.057155       1.661919  178.7306 77.29486 242.0036 94.23570 -63.27298      121.8805 
1 1 1 -3  23 15 o 257.3421 70.83474 2.395888       1.159044  2.188880       1.286023  3.291595       2.675088  248.2239 84.99984 266.4604 113.3370 -18.23645      141.6695 
1 1 1 -3  23 16 o 206.1365 63.79401 0.9613560      1.325220  -0.2860228     1.864441  2.235043       1.884000  174.6088 82.14719 237.6643 97.62450 -63.05545      127.5880 
1 1 1 -3  23 17 o 211.6196 63.97638 1.663043       1.150159  1.647247       1.328232  1.710391       2.299573  210.4720 83.54583 212.7672 96.91234 -2.295197      127.9528 
1 1 1 -3  24 1  o 679.4938 60.63110 12.80650       1.904653  12.09014       2.298624  14.37582       3.402185  662.7811 69.53996 696.2064 99.34142 -33.42529      121.2622 
1 1 1 -3  24 2  o 372.5491 72.52538 3.919755       1.318699  0.000000       0.000000  3.919755       1.318699  ?        ?        372.5491 72.52538 ?              ?        
1 1 1 -3  24 3  o 147.9865 66.38049 -0.3167965     1.031060  0.000000       0.000000  -0.3167965     1.031060  ?        ?        147.9865 66.38049 ?              ?        
1 1 1 -3  24 4  o 286.2256 109.4050 2.267960       2.210208  0.000000       0.000000  2.267960       2.210208  ?        ?        286.2256 109.4050 ?              ?        
1 1 1 -3  24 5  o 203.3993 77.34505 0.9526775      1.101061  0.000000       0.000000  0.9526775      1.101061  ?        ?        203.3993 77.34505 ?              ?        
1 1 1 -3  24 6  o 324.6940 57.27159 3.174914       0.9506260 2.522492       1.389652  3.748754       1.303278  289.3188 87.45758 360.0692 73.96832 -70.75043      114.5432 
1 1 1 -3  24 7  o 160.8479 51.67921 -0.4395227     0.8642200 -0.6412594E-01 1.486969  -0.6310095     1.062003  182.3688 80.88969 139.3270 64.34146 43.04189       103.3584 
1 1 1 -3  24 8  f 569.2741 69.62930 10.45049       1.880698  12.89375       2.591363  7.731335       2.733765  663.2462 78.71005 475.3021 114.8812 187.9441       139.2586 
1 1 1 -3  24 9  o 333.7169 73.06377 3.642139       1.293753  3.431091       1.551835  4.123148       2.342780  328.0379 90.49687 339.3959 114.7326 -11.35794      146.1275 
1 1 1 -3  24 10 o 253.3523 59.66230 1.791260       1.026057  0.2956228      1.455598  3.268404       1.446572  187.1360 81.61222 319.5686 87.05060 -132.4326      119.3246 
1 1 1 -3  24 11 o 187.2043 56.85453 0.3372348      0.9825860 -0.2968625     1.314964  1.138913       1.478550  160.7772 73.25212 213.6313 86.97054 -52.85411      113.7091 
1 1 1 -3  24 12 o 192.2816 57.46622 0.7395809      0.9732260 1.099875       1.356022  0.3568422      1.397620  204.4383 83.26538 180.1249 79.22337 24.31343       114.9324 
1 1 1 -3  24 13 o 224.8850 62.79793 1.694601       1.075145  2.077918       1.456200  1.235242       1.594111  240.8489 89.50681 208.9212 88.10703 31.92770       125.5959 
1 1 1 -3  24 14 o 192.1577 58.67294 0.7867237      1.134653  1.577096       1.302380  -1.702676      2.311368  215.6037 83.56973 168.7117 82.37814 46.89198       117.3459 
1 1 1 -3  24 15 o 264.1146 66.72982 2.830052       1.110729  2.664260       1.413614  3.097572       1.795666  261.4439 89.11871 266.7852 99.34451 -5.341370      133.4596 
1 1 1 -3  24 16 o 222.0780 66.86059 2.009611       1.286878  3.026439       2.079107  1.378132       1.638448  244.4830 101.6860 199.6730 86.84071 44.81001       133.7212 
1 1 1 -3  25 1  o 474.0153 48.68199 6.390098       1.125080  6.901576       1.553648  5.826141       1.631406  498.2701 62.99667 449.7604 74.23722 48.50977       97.36398 
1 1 1 -3  25 2  o 590.8934 47.31411 9.897337       1.365649  8.708723       2.015289  10.90661       1.857039  551.0801 74.11250 630.7068 58.83738 -79.62671      94.62821 
1 1 1 -3  25 3  o 315.6285 73.80595 2.827330       1.162970  2.515457       1.295226  4.124753       2.641786  288.1417 83.77430 343.1152 121.5366 -54.97351      147.6119 
1 1 1 -3  25 4  o 436.6088 73.20410 5.753744       1.487891  4.995427       1.769198  7.585987       2.750061  402.7060 89.13364 470.5117 116.1488 -67.80569      146.4082 
1 1 1 -3  25 5  o 174.4668 75.19297 0.2162178      1.206268  0.000000       0.000000  0.2162178      1.206268  ?        ?        174.4668 75.19297 ?              ?        
1 1 1 -3  25 6  o 381.9988 99.03710 4.798141       1.931277  0.000000       0.000000  4.798141       1.931277  ?        ?        381.9988 99.03710 ?              ?        
1 1 1 -3  25 7  f 177.6316 53.99946 -0.7138975     0.9846793 1.540525       1.505933  -2.397616      1.301436  234.7282 90.16747 120.5349 59.44404 114.1933       107.9989 
1 1 1 -3  25 8  o 170.4852 52.76196 0.9223043E-01  0.8358312 0.5349045      1.387011  -0.1601870     1.047364  191.1981 81.47396 149.7724 67.06185 41.42578       105.5239 
1 1 1 -3  25 9  o 297.5207 69.73267 2.976410       1.231000  2.192119       1.611185  4.076293       1.908007  258.0059 94.45213 337.0355 102.6127 -79.02954      139.4653 
1 1 1 -3  25 10 o 265.7677 71.18685 2.411805       1.221561  2.956850       2.359093  2.212124       1.427898  276.1431 110.7651 255.3923 89.45038 20.75075       142.3737 
1 1 1 -3  25 11 o 371.5591 66.07028 4.864523       1.240952  3.923723       1.628263  6.168245       1.916762  326.8131 93.61608 416.3050 93.25856 -89.49194      132.1406 
1 1 1 -3  25 12 o 268.8087 63.62502 2.742683       1.140251  4.093321       1.579988  1.274636       1.647230  330.4051 91.38146 207.2123 88.55508 123.1928       127.2500 
1 1 1 -3  25 13 o 258.5506 64.13084 2.395957       1.144325  0.8880846      1.517247  4.385283       1.742718  189.9602 83.07001 327.1411 97.72630 -137.1809      128.2617 
1 1 1 -3  25 14 o 162.5560 73.67336 0.2196251      1.308184  0.2196251      1.308184  0.000000       0.000000  162.5560 73.67336 ?        ?        ?              ?        
1 1 1 -3  25 15 f 193.7047 86.69658 1.239560       1.748500  0.000000       0.000000  1.239560       1.748500  ?        ?        193.7047 86.69658 ?              ?        
1 1 1 -3  26 1  f 295.2668 57.99090 2.686132       0.8828842 2.565496       1.130206  2.874999       1.414160  290.3247 76.00289 300.2090 87.60901 -9.884308      115.9818 
1 1 1 -3  26 2  o 338.9985 64.38361 3.686778       1.122006  3.389355       1.493154  4.072540       1.700502  325.2153 88.37968 352.7818 93.64842 -27.56650      128.7672 
1 1 1 -3  26 3  o 225.8337 59.01626 1.106531       0.8729368 0.4460166      1.056529  2.527406       1.549595  173.0685 72.27753 278.5988 93.31471 -105.5303      118.0325 
1 1 1 -3  26 4  o 245.5190 84.09843 1.858986       1.258895  1.858986       1.258895  0.000000       0.000000  245.5190 84.09843 ?        ?        ?              ?        
1 1 1 -3  26 5  o 360.2830 85.12097 4.140742       1.527945  0.000000       0.000000  4.140742       1.527945  ?        ?        360.2830 85.12097 ?              ?        
1 1 1 -3  26 6  o 279.9667 68.70728 2.794972       1.190296  3.098707       1.334334  1.611578       2.633795  310.1485 83.23966 249.7850 109.3340 60.36351       137.4146 
1 1 1 -3  26 7  o 213.1642 65.85569 0.8519158      1.318564  1.051195       1.624763  0.4674809      2.256682  212.3466 89.21850 213.9818 96.89141 -1.635208      131.7114 
1 1 1 -3  26 8  o 221.4804 66.82129 1.167607       1.066032  1.836389       2.629819  1.036105       1.166139  245.4792 108.2910 197.4815 78.31602 47.99776       133.6426 
1 1 1 -3  26 9  o 159.4594 54.88960 -1.589185      1.328899  -2.228411      2.393969  -1.304488      1.597654  169.3318 82.92529 149.5870 71.93656 19.74478       109.7792 
1 1 1 -3  26 10 o 236.7396 66.56023 2.195005       1.253515  0.9749546      2.437927  2.633473       1.461506  211.3479 97.56026 262.1313 90.57071 -50.78342      133.1205 
1 1 1 -3  26 11 o 180.9305 57.20515 0.5305831      1.094244  -0.1111916     1.572423  1.133215       1.523716  165.3590 77.02270 196.5019 84.60036 -31.14291      114.4103 
1 1 1 -3  26 12 o 206.6593 61.80029 1.529378       1.117105  1.688874       1.550069  1.357018       1.611363  211.9647 87.95075 201.3539 86.84336 10.61079       123.6006 
1 1 1 -3  26 13 o 193.1858 58.88430 0.6849107      1.108879  -0.7629580     1.453295  2.702377       1.715506  144.2464 69.17007 242.1253 95.31498 -97.87889      117.7686 
1 1 1 -3  26 14 o 166.1879 77.52465 0.3096308      1.602487  0.3096308      1.602487  0.000000       0.000000  166.1879 77.52465 ?        ?        ?              ?        
1 1 1 -3  27 1  o 196.8254 55.10389 0.9528205      0.8535547 1.421053       1.066584  0.1188491      1.423443  217.1802 77.19291 176.4706 78.65755 40.70953       110.2078 
1 1 1 -3  27 2  o 252.9308 60.38855 1.989695       0.9150835 1.455223       1.180905  2.792978       1.447726  219.6703 80.79498 286.1914 89.77350 -66.52112      120.7771 
1 1 1 -3  27 3  o 250.1877 59.14225 2.003925       0.8732046 1.698088       1.144555  2.429839       1.350682  231.7532 80.14609 268.6221 86.99327 -36.86891      118.2845 
1 1 1 -3  27 4  o 184.4030 52.54977 0.2949295      0.8434113 -0.8958096     1.127088  1.810216       1.271444  132.6331 62.83899 236.1730 84.24473 -103.5399      105.0995 
1 1 1 -3  27 5  f 257.1125 93.17442 2.343050       1.562175  0.000000       0.000000  2.343050       1.562175  ?        ?        257.1125 93.17442 ?              ?        
1 1 1 -3  27 6  o 344.7504 74.29560 4.410541       1.336845  5.889594       2.397418  3.743118       1.610469  369.7667 115.4496 319.7342 93.54533 50.03250       148.5912 
1 1 1 -3  27 7  o 239.2145 61.46980 1.900535       1.031641  0.8306221      1.414216  3.117442       1.508240  190.6473 81.77921 287.7817 91.79490 -97.13438      122.9396 
1 1 1 -3  27 8  o 171.0685 54.23809 -0.3422870     0.9680097 1.733599       1.628779  -1.475930      1.203646  219.7559 90.57853 122.3812 59.68762 97.37466       108.4762 
1 1 1 -3  27 9  o 199.4581 63.17786 0.9245421      1.309955  -0.1082799E-01 1.713496  2.240088       2.032097  170.6238 79.78374 228.2924 97.98124 -57.66853      126.3557 
1 1 1 -3  27 10 o 221.9343 95.35739 2.166557       1.928514  0.000000       0.000000  2.166557       1.928514  ?        ?        221.9343 95.35739 ?              ?        
1 1 1 -3  27 11 o 168.9059 56.90366 -0.5788554E-01 1.290047  -0.2428338     2.265570  0.3085237E-01  1.569304  175.0927 84.55746 162.7192 76.17179 12.37355       113.8073 
1 1 1 -3  27 12 o 130.2928 45.38353 -1.634192      1.059693  -1.518551      1.435901  -1.772506      1.570375  129.0457 63.40495 131.5400 64.94977 -2.494217      90.76707 
1 1 1 -3  27 13 o 163.0049 53.85750 0.3415796      1.107840  -0.2276052     1.548651  0.9381287      1.585441  150.5286 71.97494 175.4813 80.13819 -24.95268      107.7150 
1 1 1 -3  28 1  o 145.0252 46.98813 -0.1850718     0.7406576 -0.1666449     0.9073171 -0.2218766     1.282290  135.0604 61.26898 154.9901 71.25764 -19.92966      93.97626 
1 1 1 -3  28 2  o 185.4696 53.88988 0.5551288      0.8187095 -0.1704807     1.026172  1.825864       1.357988  142.2226 64.76430 228.7166 86.15139 -86.49396      107.7798 
1 1 1 -3  28 3  o 166.4536 53.35780 0.8699323E-01  0.9760518 0.7917166      1.041829  -4.971185      2.791156  177.8114 72.76626 155.0959 78.05955 22.71542       106.7156 
1 1 1 -3  28 4  o 237.2412 68.33639 2.242387       1.384248  0.8896644      2.392110  2.923411       1.697297  208.0535 96.24974 266.4288 97.03316 -58.37534      136.6728 
1 1 1 -3  28 5  o 176.5906 55.69613 0.2079444      0.9781870 -0.5320773     1.217142  1.557751       1.643823  141.0502 66.36314 212.1311 89.46602 -71.08092      111.3923 
1 1 1 -3  28 6  o 143.8085 48.17349 -0.5823142     0.9208990 -0.7870466     1.212549  -0.3032738     1.415596  133.9106 63.93399 153.7063 72.07764 -19.79570      96.34698 
1 1 1 -3  28 7  f 195.9512 57.23732 1.325522       0.9550506 1.730972       1.228349  0.7057687      1.518669  213.1260 81.53767 178.7764 80.34956 34.34962       114.4746 
1 1 1 -3  28 8  o 214.9006 64.93993 2.042608       1.270932  2.436988       1.726784  1.576438       1.877383  228.0273 93.54053 201.7738 90.10522 26.25349       129.8799 
1 1 1 -3  28 9  o 190.7857 58.82999 1.307078       1.061982  1.319089       1.658655  1.298733       1.382514  191.6987 85.21046 189.8728 81.13599 1.825882       117.6600 
1 1 1 -3  28 10 o 212.8313 63.72281 2.018423       1.131569  2.749265       1.979549  1.663705       1.379102  224.9808 96.63707 200.6818 83.08829 24.29901       127.4456 
1 1 1 -3  28 11 f 161.1766 53.96600 0.4308542E-02  1.121862  1.340675       1.820550  -0.8138120     1.424454  186.1000 85.31853 136.2533 66.10645 49.84673       107.9320 
1 1 1 -3  28 12 o 184.2767 60.15319 1.621772       1.341338  1.956305       1.626897  0.9116691      2.370291  194.5844 85.53149 173.9689 84.60489 20.61552       120.3064 
1 1 1 -3  29 1  o 134.4827 44.93031 -0.5364028     0.8151032 -0.1054269     1.054282  -1.176810      1.285164  140.1288 64.49441 128.8367 62.57317 11.29208       89.86062 
1 1 1 -3  29 2  o 246.3848 60.94845 2.382263       0.9607511 1.545608       1.258834  3.549500       1.486877  203.0911 81.10678 289.6784 90.99750 -86.58727      121.8969 
1 1 1 -3  29 3  o 254.5326 59.44614 3.223845       1.216787  4.111962       1.335700  -1.108305      2.950025  332.1311 80.31667 176.9341 87.66188 155.1970       118.8923 
1 1 1 -3  29 4  o 187.6390 61.46857 0.9942636      1.357360  0.9189704      2.315142  1.033702       1.675554  189.8451 89.97884 185.4330 83.76961 4.412079       122.9371 
1 1 1 -3  29 5  o 228.5367 64.15550 2.277772       1.069693  1.643483       1.331281  3.433349       1.796907  201.4363 82.32455 255.6371 98.41943 -54.20088      128.3110 
1 1 1 -3  29 6  o 146.4815 48.97084 -0.1719482     0.9230598 -0.1959718     1.149878  -0.1284137     1.547924  138.6693 65.00565 154.2937 73.25872 -15.62440      97.94169 
1 1 1 -3  29 7  o 153.2784 48.87241 0.1306725      0.8990219 1.141150       1.126996  -1.637553      1.490829  178.9527 74.68461 127.6041 63.05758 51.34863       97.74481 
1 1 1 -3  29 8  o 200.6467 61.46982 1.344798       1.429566  3.812499       1.841935  -2.393439      2.267052  257.1454 99.46420 144.1481 72.25670 112.9972       122.9396 
1 1 1 -3  29 9  o 140.6520 51.18604 -1.974389      1.100304  0.7208064      2.956240  -2.407796      1.185475  179.0567 88.54156 102.2473 51.38517 76.80937       102.3721 
1 1 1 -3  29 10 o 155.4283 52.17562 0.1387314      1.025498  1.517292       1.763057  -0.5661568     1.260705  180.7172 83.25932 130.1394 62.90522 50.57782       104.3512 
1 1 1 -3  30 1  o 199.5330 57.62659 1.760480       1.002318  2.537344       1.323203  0.7145895      1.535314  231.7188 85.47827 167.3472 77.30951 64.37164       115.2532 
1 1 1 -3  30 2  o 121.8471 58.32975 -1.048808      0.9742758 -0.5585322     1.023727  -5.758948      3.173079  121.8471 58.32975 ?        ?        ?              ?        
1 1 1 -3  30 3  f 169.7282 57.42030 0.6250881      1.304337  0.4353070      2.684634  0.6837288      1.492307  174.3768 85.87653 165.0796 76.24687 9.297211       114.8406 
1 1 1 -3  30 4  o 137.1898 45.89369 -0.3530639     0.8921157 0.4584832      1.129839  -1.696795      1.453838  151.4238 68.56215 122.9559 61.02586 28.46796       91.78738 
1 1 1 -3  30 5  f 166.0327 54.61955 0.7195652      1.067630  0.4969282      1.323500  1.134345       1.806484  156.1949 72.02455 175.8704 82.13187 -19.67542      109.2391 
1 1 1 -3  30 6  o 188.5298 57.36013 0.8883295      1.050644  -0.7838821     1.332787  3.633253       1.707577  129.8835 63.22811 247.1760 95.72327 -117.2925      114.7203 
1 1 1 -3  30 7  o 203.0750 60.39597 2.171500       1.032896  1.883340       1.313396  2.638624       1.672225  195.8969 81.09418 210.2531 89.52334 -14.35625      120.7919 
1 1 1 -3  30 8  o 162.8786 55.64445 0.7666455      1.394878  1.064825       1.730694  0.2139081      2.356355  166.4474 78.56054 159.3098 78.82552 7.137558       111.2889 
1 1 1 -3  30 9  o 167.2484 58.08113 1.524983       1.688955  1.612026       2.679550  1.467605       2.175531  167.5906 83.12299 166.9061 81.14332 0.6845703      116.1623 
1 1 1 -3  31 1  o 125.2136 43.13526 -0.8115299     0.9131064 -0.4786545E-01 1.125881  -2.279138      1.560797  133.2275 63.02794 117.1997 58.90739 16.02777       86.27052 
1 1 1 -3  31 2  o 150.1894 53.10934 -0.2248693     1.041557  -0.5597779     1.112144  2.165034       2.970901  121.8704 58.95189 178.5084 88.35770 -56.63796      106.2187 
1 1 1 -3  31 3  o 171.8459 56.93557 1.364363       1.176246  1.586336       2.496098  1.301001       1.333599  172.9491 84.69227 170.7428 76.11739 2.206299       113.8711 
1 1 1 -3  31 4  o 156.1269 50.33755 0.5704572      0.9873601 1.747577       1.269081  -1.234756      1.571604  184.9222 78.33342 127.3315 63.24042 57.59071       100.6751 
1 1 1 -3  31 5  o 166.1727 54.39983 1.103724       1.094355  0.9700362E-01  1.479373  2.320421       1.626351  142.2515 68.60626 190.0940 84.44256 -47.84250      108.7997 
1 1 1 -3  31 6  o 190.1589 64.82173 2.855340       1.587600  7.462622       3.095982  1.211582       1.849247  219.5041 104.0407 160.8138 77.34962 58.69031       129.6435 
1 1 1 -3  31 7  o 167.4820 55.29515 1.725827       1.135320  1.337792       1.467900  2.303524       1.791065  159.7513 74.41337 175.2127 81.80992 -15.46143      110.5903 
1 1 1 -3  32 1  o 139.8905 47.85513 0.4380607      1.032860  0.4663144      1.366425  0.4003992      1.577598  139.3103 66.87399 140.4708 68.47134 -1.160522      95.71026 
1 1 1 -3  32 2  o 145.2105 49.13841 0.7391573      0.9919914 0.4031465      1.257790  1.292094       1.613502  136.1661 65.03995 154.2550 73.67590 -18.08888      98.27682 
1 1 1 -3  32 3  o 147.8040 51.42754 0.9446989      1.252976  1.414536       2.883060  0.8352935      1.391232  151.0590 76.39779 144.5491 68.86613 6.509903       102.8551 
1 1 1 -3  32 4  o 200.2037 58.08623 3.359650       1.259371  4.890763       1.539317  0.2601946      2.190116  261.1654 92.74481 139.2421 69.96027 121.9233       116.1725 
1 1 1 -2  0  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -2  0  2  o 23557.26 360.2541 14125.73       606.9789  14125.73       606.9789  14125.73       606.9789  23557.26 509.4762 23557.26 509.4762 0.000000       0.000000 
1 1 1 -2  0  3  o 20299.96 220.1031 10457.44       319.7347  10457.44       319.7347  10457.44       319.7347  20299.96 311.2729 20299.96 311.2729 0.000000       0.000000 
1 1 1 -2  0  4  o 4863.711 111.9818 601.0923       38.90178  601.0923       38.90178  601.0923       38.90178  4863.711 158.3661 4863.711 158.3661 0.000000       0.000000 
1 1 1 -2  0  5  o 140.4509 51.60676 0.7264332      0.6737477 0.7264332      0.6737477 0.7264332      0.6737477 140.4509 72.98298 140.4509 72.98298 0.000000       0.000000 
1 1 1 -2  0  6  o 443.1418 31.46943 5.122741       0.9753638 5.122741       0.9753638 5.122741       0.9753638 443.1418 44.50449 443.1418 44.50449 0.000000       0.000000 
1 1 1 -2  0  7  o ?        ?        20.08103       2.002163  20.08103       2.002163  20.08103       2.002163  ?        ?        ?        ?        -0.000000      0.000000 
1 1 1 -2  0  8  o 1279.051 34.57264 41.64319       3.155556  41.64319       3.155556  41.64319       3.155556  1279.051 48.89310 1279.051 48.89310 0.000000       0.000000 
1 1 1 -2  0  9  o 754.5091 46.03827 14.74762       2.444432  14.74762       2.444432  14.74762       2.444432  754.5091 65.10795 754.5091 65.10795 0.000000       0.000000 
1 1 1 -2  0  10 o 2345.865 64.92164 140.5184       10.86620  140.5184       10.86620  140.5184       10.86620  2345.865 91.81306 2345.865 91.81306 -0.000000      0.000000 
1 1 1 -2  0  11 o 1302.500 35.78204 43.23491       3.325448  43.23491       3.325448  43.23491       3.325448  1302.500 50.60344 1302.500 50.60344 0.000000       0.000000 
1 1 1 -2  0  12 o 116.8984 51.06971 0.2519304      0.8417969 0.2519304      0.8417969 0.2519304      0.8417969 116.8984 72.22347 116.8984 72.22347 0.000000       0.000000 
1 1 1 -2  0  13 o 706.2203 35.54213 12.84044       1.776226  12.84044       1.776226  12.84044       1.776226  706.2203 50.26416 706.2203 50.26416 0.000000       0.000000 
1 1 1 -2  0  14 o 919.6321 51.91665 21.94415       3.368250  21.94415       3.368250  21.94415       3.368250  919.6321 73.42123 919.6321 73.42123 -0.000000      0.000000 
1 1 1 -2  0  15 o 1425.004 53.78064 52.32677       5.451364  52.32677       5.451364  52.32677       5.451364  1425.004 76.05730 1425.004 76.05730 0.000000       0.000000 
1 1 1 -2  0  16 o 133.1019 59.22913 0.2305714      1.187502  0.2305714      1.187502  0.2305714      1.187502  133.1019 83.76263 133.1019 83.76263 0.000000       0.000000 
1 1 1 -2  0  17 o 461.3611 48.49573 5.805109       1.497766  5.805109       1.497766  5.805109       1.497766  461.3611 68.58332 461.3611 68.58332 -0.000000      0.000000 
1 1 1 -2  0  18 o 88.15709 43.66628 -1.039308      1.035978  -1.039308      1.035978  -1.039308      1.035978  88.15709 61.75344 88.15709 61.75344 -0.000000      0.000000 
1 1 1 -2  0  19 f 145.6765 69.15270 -0.5576471     2.034050  -0.5576471     2.034050  -0.5576471     2.034050  145.6765 97.79668 145.6765 97.79668 0.000000       0.000000 
1 1 1 -2  0  20 o 1225.434 56.77075 40.62920       4.931915  40.62920       4.931915  40.62920       4.931915  1225.434 80.28596 1225.434 80.28596 0.000000       0.000000 
1 1 1 -2  0  21 o 250.3609 80.28417 2.589557       1.553652  2.589557       1.553652  2.589557       1.553652  250.3609 113.5390 250.3609 113.5390 0.000000       0.000000 
1 1 1 -2  0  22 f 577.3321 47.77953 9.401635       1.904255  9.401635       1.904255  9.401635       1.904255  577.3321 67.57047 577.3321 67.57047 -0.000000      0.000000 
1 1 1 -2  0  23 o 137.7757 62.51046 0.4472943      1.400069  0.4472943      1.400069  0.4472943      1.400069  137.7757 88.40314 137.7757 88.40314 0.000000       0.000000 
1 1 1 -2  0  24 f 589.7513 84.56161 12.63245       3.161206  12.63245       3.161206  12.63245       3.161206  589.7513 119.5882 589.7513 119.5882 0.000000       0.000000 
1 1 1 -2  1  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -2  1  2  o 7792.542 121.0395 1538.732       47.74496  1568.863       67.52299  1508.605       67.52016  7868.912 169.4936 7716.172 172.8414 152.7397       242.0790 
1 1 1 -2  1  3  o 10934.43 153.4302 3046.724       83.00132  2959.893       131.2320  3104.619       107.1567  10801.80 239.9716 11067.05 191.2511 -265.2471      306.8605 
1 1 1 -2  1  4  o 6462.107 124.2093 1055.776       38.35616  1049.782       46.96906  1067.775       66.45591  6436.338 144.1416 6487.875 202.3240 -51.53711      248.4186 
1 1 1 -2  1  5  o 4824.410 110.9281 590.8203       27.08936  578.6088       38.31422  603.0266       38.30605  4774.423 158.5096 4874.397 155.2254 -99.97461      221.8563 
1 1 1 -2  1  6  o 3230.930 56.27964 265.6492       9.196389  279.5776       13.00956  251.7375       13.00176  3316.025 77.49277 3145.834 81.63617 170.1912       112.5593 
1 1 1 -2  1  7  o ?        ?        64.12791       2.969381  67.43578       4.201342  60.82634       4.197337  ?        ?        ?        ?        ?              ?        
1 1 1 -2  1  8  f 339.4016 35.59792 3.065952       0.5715194 2.145116       0.8135207 3.963307       0.8030815 285.5233 58.25159 393.2798 40.93411 -107.7566      71.19585 
1 1 1 -2  1  9  o 2563.180 68.11219 167.1256       8.838481  168.3813       12.49711  165.8689       12.50189  2572.863 95.94215 2553.497 96.70670 19.36548       136.2244 
1 1 1 -2  1  10 o 1336.059 50.09084 45.50266       3.375080  44.03915       4.743223  47.00360       4.803515  1314.143 71.56271 1357.974 70.10810 -43.83069      100.1817 
1 1 1 -2  1  11 o 606.2372 32.90370 9.377352       1.000669  10.08572       1.439288  8.714568       1.392206  628.6206 45.53318 583.8539 47.51151 44.76672       65.80740 
1 1 1 -2  1  12 o 1505.059 36.99784 57.53090       2.819084  57.25498       3.974690  57.81020       3.998995  1501.431 52.28947 1508.687 52.35620 -7.255859      73.99568 
1 1 1 -2  1  13 o 1930.216 41.23073 94.74094       4.026019  90.24376       5.682211  99.27454       5.705160  1884.025 59.57265 1976.406 57.01747 -92.38086      82.46146 
1 1 1 -2  1  14 o 373.5984 64.91476 3.766736       1.232001  2.934747       1.794708  4.508193       1.694253  334.9864 98.96384 412.2104 84.03490 -77.22400      129.8295 
1 1 1 -2  1  15 o 1605.766 54.72232 66.20908       4.447954  67.58757       6.292056  64.83209       6.288658  1622.707 76.58942 1588.825 78.18049 33.88220       109.4446 
1 1 1 -2  1  16 o 845.3080 35.74032 18.27437       1.521891  17.68244       2.117340  18.90705       2.189008  831.1071 50.56139 859.5089 50.52749 -28.40179      71.48064 
1 1 1 -2  1  17 o 1112.991 36.24249 31.70400       2.041853  32.47889       2.899029  30.94120       2.876336  1126.587 50.82813 1099.395 51.67759 27.19226       72.48498 
1 1 1 -2  1  18 o 1141.690 36.69431 33.53405       2.120628  34.33429       3.010630  32.74603       2.987544  1155.357 51.47038 1128.023 52.31339 27.33447       73.38863 
1 1 1 -2  1  19 o 355.4769 76.42334 3.484921       1.477128  3.106384       1.910903  4.046916       2.328363  334.2329 102.8619 376.7209 113.0554 -42.48804      152.8467 
1 1 1 -2  1  20 o 577.8475 65.79353 9.300510       1.853807  8.839917       2.506163  9.857027       2.754799  562.9595 91.03999 592.7355 95.00988 -29.77594      131.5871 
1 1 1 -2  1  21 o 524.2096 50.26779 7.497382       1.284141  7.451555       1.693917  7.559307       1.969087  525.3138 65.08637 523.1054 76.62354 2.208374       100.5356 
1 1 1 -2  1  22 o 245.9546 66.64599 1.488211       1.138518  1.025811       2.002261  1.709152       1.384044  241.5710 100.0747 250.3382 88.04437 -8.767212      133.2920 
1 1 1 -2  1  23 o 234.4292 67.44226 1.093253       1.281519  0.3634449      1.974582  1.624368       1.684476  218.6541 95.21437 250.2042 95.54086 -31.55011      134.8845 
1 1 1 -2  1  24 o 416.8971 114.5768 6.045428       2.493039  6.045428       2.493039  0.000000       0.000000  416.8971 114.5768 ?        ?        ?              ?        
1 1 1 -2  2  1  o 15834.55 486.4810 6394.694       389.9915  6394.694       389.9915  0.000000       0.000000  15834.55 486.4810 ?        ?        ?              ?        
1 1 1 -2  2  2  o 3930.328 53.40980 391.1359       10.62629  398.1913       15.02990  384.0844       15.02577  3965.776 74.85905 3894.880 76.20071 70.89551       106.8196 
1 1 1 -2  2  3  o 1848.071 38.83844 86.46836       3.633654  85.50191       5.138939  87.43468       5.138587  1837.742 55.23384 1858.400 54.61613 -20.65747      77.67689 
1 1 1 -2  2  4  o 3141.360 74.87756 249.8783       11.90839  249.8783       11.90839  0.000000       0.000000  3141.360 74.87756 ?        ?        ?              ?        
1 1 1 -2  2  5  o 2684.476 70.33504 182.9113       9.540759  170.0308       13.50223  195.7555       13.48313  2589.833 102.9794 2779.119 95.82966 -189.2856      140.6701 
1 1 1 -2  2  6  o 2270.534 44.35972 131.1991       5.098235  128.2141       7.206342  134.1901       7.213650  2244.546 63.41656 2296.522 62.04416 -51.97607      88.71944 
1 1 1 -2  2  7  o ?        ?        22.09109       1.496975  24.00785       2.121825  20.19150       2.112292  ?        ?        ?        ?        ?              ?        
1 1 1 -2  2  8  o 3267.830 69.89146 272.1215       10.90160  271.6280       13.35119  273.1089       18.88350  3267.490 80.70901 3268.170 114.1285 -0.6806641     139.7829 
1 1 1 -2  2  9  o 1654.780 46.42006 69.54952       3.662687  69.69527       4.484149  69.25736       6.348799  1658.032 53.41996 1651.528 75.93150 6.503784       92.84011 
1 1 1 -2  2  10 o 3611.407 88.09641 334.9446       16.10592  330.0155       22.76359  339.8855       22.79085  3584.447 125.4397 3638.367 123.7287 -53.92017      176.1928 
1 1 1 -2  2  11 o 484.9653 35.52356 6.077846       0.8530375 5.557253       1.242270  6.542337       1.173426  464.4687 53.82712 505.4619 46.37170 -40.99323      71.04712 
1 1 1 -2  2  12 o 1005.236 33.92651 25.65122       1.726402  25.15619       2.436942  26.14997       2.446087  995.4773 48.35375 1014.994 47.60196 -19.51660      67.85301 
1 1 1 -2  2  13 o 1660.370 38.85308 70.04905       3.265957  69.68678       4.616952  70.41188       4.620571  1656.060 55.06755 1664.681 54.82530 -8.621094      77.70617 
1 1 1 -2  2  14 o 637.4124 46.12242 10.67746       1.373124  11.11927       1.696196  9.837403       2.338917  659.2624 51.22209 615.5624 76.71642 43.70001       92.24484 
1 1 1 -2  2  15 f 357.9989 65.25099 3.364030       1.296400  1.384849       1.827041  5.370946       1.839798  266.1182 99.98902 449.8796 83.86275 -183.7614      130.5020 
1 1 1 -2  2  16 o 649.1876 39.58181 10.92122       1.276000  9.419458       1.818743  12.37697       1.790658  603.7613 60.30759 694.6140 51.28227 -90.85272      79.16361 
1 1 1 -2  2  17 o 337.5777 54.76839 3.067863       0.9280481 2.216507       1.288788  3.984768       1.337483  288.3076 83.49201 386.8478 70.90411 -98.54025      109.5368 
1 1 1 -2  2  18 o 324.9380 62.39893 2.878519       1.065714  2.277163       1.486702  3.514130       1.528461  292.1110 90.86707 357.7651 85.54345 -65.65414      124.7979 
1 1 1 -2  2  19 o 807.6898 59.13929 17.55790       2.364361  15.04849       3.263781  20.32912       3.429816  743.6955 88.41728 871.6840 78.56339 -127.9885      118.2786 
1 1 1 -2  2  20 o 497.3503 66.84301 6.780051       1.595517  8.225186       2.557920  5.859715       2.041297  538.9119 97.33508 455.7886 91.63969 83.12329       133.6860 
1 1 1 -2  2  21 o 447.8128 65.53025 6.334390       1.385267  7.623033       1.728849  4.023204       2.315305  530.8499 65.73381 364.7756 113.3840 166.0743       131.0605 
1 1 1 -2  2  22 o 834.2379 50.69298 19.93056       1.966826  21.55932       2.457409  17.02761       3.280711  898.7945 54.25933 769.6812 85.64484 129.1133       101.3860 
1 1 1 -2  2  23 f 477.0577 56.56791 6.476250       1.294522  4.763841       1.722171  8.700624       1.962802  398.5668 87.72558 555.5486 71.44184 -156.9818      113.1358 
1 1 1 -2  2  24 o 263.3844 69.73075 2.091742       1.273968  1.295877       2.178159  2.505561       1.570633  244.6790 103.0780 282.0898 93.93844 -37.41074      139.4615 
1 1 1 -2  3  1  o 19523.76 425.2177 9768.001       420.2701  9636.999       594.3512  9899.003       594.3522  19391.23 605.4164 19656.30 597.2532 -265.0684      850.4355 
1 1 1 -2  3  2  o 8971.850 139.0227 2040.641       63.14099  2072.564       89.29642  2008.720       89.29327  9042.128 195.0652 8901.570 198.1383 140.5576       278.0453 
1 1 1 -2  3  3  o 6589.934 103.4773 1100.420       34.51975  1118.165       48.81947  1082.676       48.81712  6643.119 145.1568 6536.748 147.5118 106.3711       206.9547 
1 1 1 -2  3  4  o 475.1651 42.01064 5.760839       1.000206  5.760839       1.000206  0.000000       0.000000  475.1651 42.01064 ?        ?        ?              ?        
1 1 1 -2  3  5  o 2939.707 66.16055 223.0530       9.188686  208.1056       15.93627  230.4972       11.24640  2863.586 109.9240 3015.829 73.65854 -152.2427      132.3211 
1 1 1 -2  3  6  o 510.9828 30.10011 7.210131       0.7425088 7.906213       0.9667570 6.208921       1.159444  546.9237 35.09993 475.0419 48.90870 71.88181       60.20021 
1 1 1 -2  3  7  o ?        ?        132.6241       5.156889  131.0949       7.288452  134.1570       7.297443  ?        ?        ?        ?        ?              ?        
1 1 1 -2  3  8  o 5338.831 86.24879 728.8842       23.30955  741.3789       32.96428  716.3889       32.96508  5385.060 120.9120 5292.602 123.0272 92.45801       172.4976 
1 1 1 -2  3  9  o 1663.441 47.60682 71.64132       3.740407  74.38538       4.583674  66.17204       6.471152  1712.888 52.85685 1613.995 79.19463 98.89246       95.21363 
1 1 1 -2  3  10 o 1068.108 41.91462 29.74017       2.108970  27.02933       3.617473  31.13594       2.595733  1028.389 69.89561 1107.827 46.28117 -79.43860      83.82925 
1 1 1 -2  3  11 o 1451.460 36.42018 53.54621       2.676129  54.13350       3.781948  52.95726       3.787294  1459.467 51.18438 1443.452 51.82544 16.01514       72.84035 
1 1 1 -2  3  12 o 1218.416 34.77488 37.69603       2.144189  36.38706       3.028747  39.01123       3.035948  1197.149 49.97251 1239.682 48.37270 -42.53320      69.54977 
1 1 1 -2  3  13 f 436.0368 40.93917 4.916200       0.8809881 4.729949       1.235786  5.108679       1.256277  427.3788 58.66198 444.6949 57.12125 -17.31604      81.87835 
1 1 1 -2  3  14 o 442.9697 48.76060 4.937435       1.025790  4.412518       1.276406  5.894757       1.723741  411.2953 63.33084 474.6442 74.15923 -63.34891      97.52121 
1 1 1 -2  3  15 o 2131.201 44.02441 116.0873       4.750058  115.5117       6.709342  116.6658       6.725880  2125.878 62.33873 2136.524 62.18100 -10.64526      88.04881 
1 1 1 -2  3  16 o 1302.701 37.04788 43.35884       2.440902  45.57890       3.451089  41.13655       3.452826  1336.382 51.00842 1269.019 53.74312 67.36292       74.09576 
1 1 1 -2  3  17 o 1214.419 45.96647 38.29340       2.626076  37.59725       4.610137  38.62779       3.195127  1200.835 76.22604 1228.003 51.39314 -27.16724      91.93294 
1 1 1 -2  3  18 o 632.3107 54.36052 11.46198       1.517340  13.11998       1.881014  8.373316       2.567349  711.8189 52.56812 552.8024 95.16751 159.0165       108.7210 
1 1 1 -2  3  19 o 294.3030 52.64228 1.702286       0.9946794 -0.5412036     1.299037  4.881847       1.546475  164.6102 74.11645 423.9957 74.77693 -259.3855      105.2846 
1 1 1 -2  3  20 o 339.8582 66.57223 3.289359       1.149813  3.339044       1.415064  3.192807       1.972611  345.1175 82.16990 334.5989 104.7643 10.51855       133.1445 
1 1 1 -2  3  21 o 173.8541 53.50249 -0.4412364E-01 0.8817816 -0.3497486     1.344939  0.1862946      1.167795  170.8185 76.27449 176.8896 75.04845 -6.071182      107.0050 
1 1 1 -2  3  22 o 169.1039 53.35402 -0.3096405     0.9411390 -0.8049875     1.390161  0.1094921      1.278751  159.5640 73.66138 178.6437 77.20496 -19.07970      106.7080 
1 1 1 -2  3  23 o 476.5735 55.03196 6.554683       1.280093  6.496590       1.761475  6.619699       1.863478  475.8654 75.64719 477.2815 79.94729 -1.416077      110.0639 
1 1 1 -2  3  24 o 218.9467 66.97117 -0.2193333     1.243007  2.636935       2.434713  -1.226260      1.445597  287.4798 113.4290 150.4137 71.23486 137.0661       133.9423 
1 1 1 -2  4  1  o 19486.55 425.2517 9751.142       419.4489  9530.610       593.1889  9971.675       593.1917  19263.01 608.2542 19710.09 594.4603 -447.0762      850.5035 
1 1 1 -2  4  2  o 8938.335 139.3821 2025.838       63.07333  2032.254       89.20045  2019.422       89.19785  8952.513 196.8061 8924.157 197.4256 28.35547       278.7643 
1 1 1 -2  4  3  f 3389.642 57.82790 290.9801       9.922548  285.7968       14.03234  296.1637       14.03286  3359.437 82.50498 3419.847 81.05055 -60.41016      115.6558 
1 1 1 -2  4  4  o 4728.879 108.0898 566.7518       25.87774  566.7518       25.87774  0.000000       0.000000  4728.879 108.0898 ?        ?        ?              ?        
1 1 1 -2  4  5  o 3338.914 57.46545 283.1852       9.697857  302.3847       13.72961  264.0680       13.70012  3452.241 78.55492 3225.587 83.89420 226.6548       114.9309 
1 1 1 -2  4  6  o ?        ?        688.1059       17.88974  694.5801       25.29471  681.6263       25.30512  ?        ?        ?        ?        ?              ?        
1 1 1 -2  4  7  o 2929.043 48.41241 223.6716       6.974690  235.6868       9.013650  205.7421       11.01082  3034.354 58.67470 2823.732 77.02160 210.6216       96.82483 
1 1 1 -2  4  8  f 1716.482 38.42867 74.71386       3.339257  75.66373       4.720764  73.76266       4.724082  1727.422 53.97969 1705.543 54.71056 21.87842       76.85735 
1 1 1 -2  4  9  o 1102.029 47.40455 30.93360       2.631893  30.23605       3.695232  31.65177       3.749479  1089.345 67.33286 1114.714 66.74617 -25.36877      94.80910 
1 1 1 -2  4  10 o 506.1254 35.09853 6.712536       0.8616308 8.155774       1.195241  5.151066       1.243235  565.4708 42.05130 446.7801 56.20779 118.6907       70.19707 
1 1 1 -2  4  11 f 490.4566 36.74743 6.191084       0.8958245 6.697227       1.268333  5.687243       1.265446  511.0317 49.64996 469.8816 54.18834 41.15012       73.49486 
1 1 1 -2  4  12 o 918.2028 34.16121 21.45536       1.582026  20.80755       2.220362  22.12334       2.254678  904.0486 48.69142 932.3568 47.92805 -28.30817      68.32242 
1 1 1 -2  4  13 o 1809.908 40.24210 83.29704       3.686991  84.48660       5.204425  82.09850       5.224014  1822.954 56.39148 1796.861 57.42567 26.09229       80.48420 
1 1 1 -2  4  14 o 1879.362 50.90381 91.08493       4.552454  88.05077       7.853692  92.62032       5.586793  1852.214 83.75274 1906.509 57.88153 -54.29517      101.8076 
1 1 1 -2  4  15 o 699.7462 43.52390 12.33880       1.454065  13.49705       2.509457  11.75337       1.784087  722.4907 69.46243 677.0018 52.46228 45.48895       87.04780 
1 1 1 -2  4  16 o 911.7402 42.30257 21.02777       1.863158  20.17653       2.308154  22.61971       3.156459  887.4194 51.59779 936.0609 67.04996 -48.64148      84.60514 
1 1 1 -2  4  17 f 962.4048 37.07533 23.81989       1.799585  24.07628       2.551481  23.56609       2.538562  967.6176 52.27806 957.1921 52.58634 10.42542       74.15065 
1 1 1 -2  4  18 o 651.9800 38.51347 11.04943       1.258246  11.63992       1.784308  10.46535       1.774590  669.8556 53.04834 634.1043 55.84821 35.75128       77.02694 
1 1 1 -2  4  19 o 825.3827 46.09534 17.33048       1.855353  20.67466       3.101820  15.46742       2.315184  882.9818 69.96021 767.7837 60.03908 115.1981       92.19068 
1 1 1 -2  4  20 o 870.0077 38.64280 19.85359       1.691212  20.38928       2.356030  19.28415       2.429113  883.0724 52.94313 856.9431 56.30355 26.12933       77.28561 
1 1 1 -2  4  21 o 407.1860 58.43953 4.728059       1.163139  4.400874       1.658005  5.045122       1.632155  391.1630 86.05993 423.2090 79.08477 -32.04593      116.8791 
1 1 1 -2  4  22 o 201.8055 58.06246 0.5802860      0.9728832 -0.2201989     1.441046  1.250715       1.318797  177.7503 79.19145 225.8607 84.93357 -48.11046      116.1249 
1 1 1 -2  4  23 o 353.2422 80.15833 3.964001       1.495004  3.763938       1.728370  4.558436       2.979242  347.4012 95.36887 359.0833 128.8651 -11.68216      160.3167 
1 1 1 -2  5  1  o 3082.934 76.74231 240.8244       11.97076  250.5997       16.93641  231.0658       16.92202  3145.510 106.3522 3020.358 110.6649 125.1516       153.4846 
1 1 1 -2  5  2  o 6558.309 103.8400 1090.173       34.47783  1088.325       48.76010  1092.020       48.75793  6552.744 146.9798 6563.874 146.7241 -11.13037      207.6801 
1 1 1 -2  5  3  o 3133.461 54.89552 248.6759       8.708494  247.8860       12.31634  249.4658       12.31500  3128.481 77.76147 3138.440 77.50628 -9.958740      109.7910 
1 1 1 -2  5  4  o 6588.104 129.1165 1114.193       40.44076  1129.132       49.52934  1084.315       70.04624  6663.176 146.8242 6513.033 212.4310 150.1431       258.2330 
1 1 1 -2  5  5  f 2540.876 58.61883 165.6348       7.120824  169.3363       12.33637  163.7852       8.720225  2554.333 95.39509 2527.418 68.15017 26.91504       117.2377 
1 1 1 -2  5  6  o ?        ?        11.68491       0.9258035 12.18147       1.214399  10.99584       1.430567  ?        ?        ?        ?        ?              ?        
1 1 1 -2  5  7  o 3689.833 57.29099 346.5948       10.48948  344.7947       13.53699  349.2998       16.59427  3680.359 72.65210 3699.306 88.60419 -18.94653      114.5820 
1 1 1 -2  5  8  o 183.7706 39.15366 0.8436094      0.3959860 0.6761620      0.5336134 1.048838       0.5907534 166.9586 54.71416 200.5826 56.02139 -33.62392      78.30731 
1 1 1 -2  5  9  o 1908.438 40.54584 92.41821       3.917459  91.90883       5.534879  92.92953       5.545383  1903.160 57.44459 1913.716 57.23617 -10.55554      81.09168 
1 1 1 -2  5  10 o 437.3111 35.14938 4.955544       0.7574571 5.460496       1.049960  4.407547       1.093796  461.5728 45.52421 413.0495 53.56735 48.52332       70.29875 
1 1 1 -2  5  11 o 785.9490 41.18982 15.67069       1.523190  16.16065       2.688711  15.43913       1.848413  793.5862 67.56478 778.3117 47.13180 15.27454       82.37965 
1 1 1 -2  5  12 o 683.2169 43.05983 11.98228       1.373940  11.90498       2.416686  12.01919       1.670103  680.0348 71.25311 686.3991 48.36930 -6.364319      86.11966 
1 1 1 -2  5  13 o 2448.515 58.07265 153.1684       6.786545  152.9545       8.312835  153.5958       11.75168  2449.996 67.01933 2447.033 94.85852 2.963379       116.1453 
1 1 1 -2  5  14 o 964.0742 49.28312 23.85843       2.387042  24.64942       3.466472  23.14512       3.291866  979.1793 70.39630 948.9691 68.99033 30.21027       98.56625 
1 1 1 -2  5  15 o 1536.478 47.66023 61.43762       3.455919  58.06850       5.987851  63.12047       4.231904  1499.886 79.13504 1573.069 53.13789 -73.18298      95.32046 
1 1 1 -2  5  16 o 708.9538 37.62856 12.91842       1.340533  12.82592       1.877388  13.01464       1.914766  706.4186 52.87739 711.4890 53.55011 -5.070313      75.25711 
1 1 1 -2  5  17 o 588.6283 41.10553 9.019025       1.195387  7.506054       1.662884  10.63698       1.719607  535.8132 62.47358 641.4435 53.43883 -105.6303      82.21105 
1 1 1 -2  5  18 o 627.9647 51.80157 10.19353       1.497889  9.727777       1.794263  11.26456       2.720856  609.8948 58.83980 646.0347 85.27303 -36.13989      103.6031 
1 1 1 -2  5  19 o 326.5919 65.25470 3.117670       1.090962  2.260903       2.079588  3.442994       1.281456  298.8418 107.6199 354.3420 73.82856 -55.50024      130.5094 
1 1 1 -2  5  20 o 488.5502 68.12798 7.451525       1.465270  5.311554       2.707686  8.337726       1.742451  418.1660 120.9961 558.9344 62.65493 -140.7685      136.2560 
1 1 1 -2  5  21 o 567.2853 47.37943 8.799465       1.323068  7.685626       1.868117  9.920447       1.874097  527.8580 71.76463 606.7126 61.87957 -78.85468      94.75887 
1 1 1 -2  5  22 o 334.2933 64.37442 3.378184       1.119807  3.676597       1.619068  3.104528       1.550451  348.4577 90.84418 320.1290 91.23377 28.32864       128.7488 
1 1 1 -2  5  23 o 416.0338 80.00585 5.754972       1.646971  5.708580       1.959167  5.866745       3.041044  431.4381 92.47507 400.6295 130.5837 30.80853       160.0117 
1 1 1 -2  6  1  o 1676.104 75.50143 71.14602       6.406782  71.14602       6.406782  0.000000       0.000000  1676.104 75.50143 ?        ?        ?              ?        
1 1 1 -2  6  2  o 1778.858 47.47261 79.72647       4.045367  78.88401       4.960140  81.40002       6.991026  1765.023 55.50856 1792.692 77.02852 -27.66956      94.94521 
1 1 1 -2  6  3  o 3377.232 72.19843 291.7905       11.58791  296.6758       14.19526  282.0323       20.06231  3421.195 81.95618 3333.269 118.8850 87.92603       144.3969 
1 1 1 -2  6  4  o 3912.062 93.30809 391.9822       18.47535  381.5271       26.12203  402.4470       26.13415  3859.260 133.6963 3964.864 130.1956 -105.6045      186.6162 
1 1 1 -2  6  5  o ?        ?        218.4625       8.966063  193.5704       15.52139  230.9285       10.98407  ?        ?        ?        ?        ?              ?        
1 1 1 -2  6  6  o ?        ?        54.57544       2.570868  52.52674       3.628335  56.64098       3.643224  ?        ?        ?        ?        ?              ?        
1 1 1 -2  6  7  o 2762.763 41.18983 193.7020       5.760239  189.2371       8.136809  198.1877       8.155639  2730.775 58.85516 2794.751 57.64095 -63.97607      82.37966 
1 1 1 -2  6  8  f 401.8472 33.98542 4.260836       0.6460714 4.589107       0.8240258 3.737068       1.040864  423.8253 38.83530 379.8691 55.78400 43.95624       67.97085 
1 1 1 -2  6  9  o 2834.231 72.99755 204.3540       10.47435  0.000000       0.000000  204.3540       10.47435  ?        ?        2834.231 72.99755 ?              ?        
1 1 1 -2  6  10 o 871.6147 46.23479 19.46598       2.021219  17.94186       2.831669  21.04913       2.885976  836.3037 67.45352 906.9257 63.25067 -70.62201      92.46959 
1 1 1 -2  6  11 o 582.5811 41.91167 8.575094       1.168539  8.228401       1.446810  9.225574       1.981783  566.8796 50.95676 598.2826 66.55643 -31.40302      83.82333 
1 1 1 -2  6  12 o 1147.665 35.36039 33.48949       2.049980  36.13784       2.903924  30.85862       2.894319  1193.089 48.07605 1102.241 51.86639 90.84778       70.72078 
1 1 1 -2  6  13 o 525.1914 52.00696 7.234276       1.178801  7.303250       1.377935  7.046024       2.276426  533.4914 51.66458 516.8914 90.27550 16.59998       104.0139 
1 1 1 -2  6  14 o 991.2463 50.11202 25.28927       2.488990  28.07807       3.565259  22.63783       3.476350  1045.530 67.71912 936.9630 73.88492 108.5667       100.2240 
1 1 1 -2  6  15 o 602.7650 47.80890 9.677139       1.348522  8.618761       2.243471  10.27586       1.687375  573.1584 79.45157 632.3715 53.19973 -59.21313      95.61780 
1 1 1 -2  6  16 o 1195.507 45.06488 37.06044       2.552197  37.57095       3.128449  36.04462       4.413040  1212.289 50.97291 1178.726 74.33127 33.56311       90.12977 
1 1 1 -2  6  17 o 297.5206 55.95158 2.268521       0.8989528 3.569434       1.357662  1.252911       1.199585  363.3490 76.23663 231.6921 81.91638 131.6569       111.9032 
1 1 1 -2  6  18 o 588.7943 49.43579 8.579239       1.387976  7.025140       1.699075  11.69670       2.406433  514.4088 66.81899 663.1797 72.87531 -148.7709      98.87158 
1 1 1 -2  6  19 o 173.9236 54.47411 -0.2464601     0.9121382 -0.4507572     1.557312  -0.1397744     1.125376  183.8701 82.09106 163.9771 71.62940 19.89304       108.9482 
1 1 1 -2  6  20 o 798.2809 50.98347 16.88023       1.909638  18.20179       3.380419  16.26081       2.314288  812.5781 83.35164 783.9838 58.73466 28.59424       101.9669 
1 1 1 -2  6  21 o 765.9049 51.81266 16.44742       1.815966  16.94513       2.205692  15.40021       3.199414  798.0137 54.92928 733.7961 87.86913 64.21765       103.6253 
1 1 1 -2  6  22 o 252.1158 62.27813 1.733390       1.045661  2.553222       1.403904  0.7118865      1.567093  291.8032 87.83684 212.4284 88.31167 79.37482       124.5563 
1 1 1 -2  6  23 o 345.3695 80.96798 3.809131       1.541414  3.368095       1.829917  4.886492       2.860060  323.5758 100.8372 367.1632 126.7087 -43.58734      161.9360 
1 1 1 -2  7  1  o 2514.299 66.82502 160.3231       8.504134  164.5587       12.03139  156.0942       12.02194  2547.546 93.28466 2481.052 95.70948 66.49390       133.6500 
1 1 1 -2  7  2  o 634.1021 30.90039 10.24488       0.9830740 11.16573       1.396269  9.339670       1.384361  662.6689 41.83347 605.5352 45.48953 57.13373       61.80079 
1 1 1 -2  7  3  o 2418.369 65.59573 148.5466       8.031225  148.5466       8.031225  0.000000       0.000000  2418.369 65.59573 ?        ?        ?              ?        
1 1 1 -2  7  4  o ?        ?        1260.123       45.53814  1247.107       78.87366  1266.631       55.77285  ?        ?        ?        ?        ?              ?        
1 1 1 -2  7  5  o ?        ?        396.6953       15.16406  413.6251       26.27445  388.2395       18.56874  ?        ?        ?        ?        ?              ?        
1 1 1 -2  7  6  o 2071.972 51.53193 109.0465       5.099132  110.0155       8.836654  108.5628       6.243476  2076.937 84.03902 2067.008 59.66238 9.928223       103.0639 
1 1 1 -2  7  7  o 890.8965 37.84380 19.45725       1.629667  22.77713       2.808594  17.77217       2.000957  945.7885 58.94910 836.0046 47.47229 109.7838       75.68761 
1 1 1 -2  7  8  o 830.5469 37.10305 17.47742       1.560118  17.47742       1.560118  0.000000       0.000000  830.5469 37.10305 ?        ?        ?              ?        
1 1 1 -2  7  9  o 332.2030 40.99392 2.914489       0.6594920 3.248355       0.9079704 2.541664       0.9594852 353.8615 52.25421 310.5445 63.17833 43.31705       81.98783 
1 1 1 -2  7  10 f 1375.939 44.87469 49.18506       2.916704  45.73943       5.022273  50.93862       3.582826  1336.186 74.53904 1415.693 49.98882 -79.50769      89.74937 
1 1 1 -2  7  11 o 1276.710 42.58467 40.84886       2.604768  39.48751       3.186705  43.58945       4.521453  1246.919 50.48008 1306.501 68.59723 -59.58179      85.16935 
1 1 1 -2  7  12 o 2428.437 46.91034 150.1787       5.766813  152.4802       8.150584  147.8717       8.160434  2447.188 65.78665 2409.686 66.89122 37.50171       93.82067 
1 1 1 -2  7  13 o 2892.944 65.71664 216.3939       9.040592  218.6416       11.07195  211.8973       15.66010  2923.693 74.80121 2862.195 108.0717 61.49805       131.4333 
1 1 1 -2  7  14 o 582.3659 45.76236 8.291612       1.260109  10.34858       2.240298  7.339659       1.524051  631.4764 71.32535 533.2554 57.35389 98.22107       91.52472 
1 1 1 -2  7  15 o 1508.544 47.58048 59.35269       3.401416  55.92189       5.839725  61.11427       4.184514  1470.172 78.74464 1546.916 53.43118 -76.74377      95.16096 
1 1 1 -2  7  16 o 1145.520 45.02649 34.25616       2.432606  35.04819       2.978945  32.67091       4.214462  1170.437 50.27256 1120.604 74.71420 49.83252       90.05299 
1 1 1 -2  7  17 o 716.8632 38.24807 13.31077       1.373669  14.63796       1.966572  12.04623       1.919602  752.5788 51.93260 681.1475 56.16641 71.43127       76.49615 
1 1 1 -2  7  18 o 793.1554 50.29072 16.90979       1.811184  17.26513       2.171367  16.09716       3.283625  815.1329 52.90236 771.1779 85.54511 43.95508       100.5814 
1 1 1 -2  7  19 o 961.0627 47.46881 24.26141       2.154803  25.35466       3.779437  23.73489       2.622856  969.3749 77.66293 952.7506 54.60421 16.62433       94.93762 
1 1 1 -2  7  20 o 515.8433 64.34830 7.701214       1.450034  7.223106       2.711258  7.892755       1.716085  489.9695 111.7720 541.7171 63.79525 -51.74762      128.6966 
1 1 1 -2  7  21 o 474.9132 64.87463 6.816508       1.392757  7.124213       1.682909  6.147669       2.481155  508.3306 67.02757 441.4958 111.0953 66.83481       129.7493 
1 1 1 -2  7  22 o 356.8663 58.98281 3.799183       1.059956  4.784107       1.526386  2.881894       1.473045  406.0189 77.07560 307.7138 89.30418 98.30511       117.9656 
1 1 1 -2  7  23 o 292.1837 73.44040 2.723440       1.343042  2.858199       1.644615  2.453657       2.326980  300.1217 95.86827 284.2458 111.2800 15.87595       146.8808 
1 1 1 -2  8  1  o 3250.336 114.6308 271.2186       18.86311  271.2186       18.86311  0.000000       0.000000  3250.336 114.6308 ?        ?        ?              ?        
1 1 1 -2  8  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -2  8  3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -2  8  4  o ?        ?        273.5656       13.35257  0.000000       0.000000  273.5656       13.35257  ?        ?        ?        ?        ?              ?        
1 1 1 -2  8  5  o 2480.328 66.91641 158.1427       8.398402  164.0666       11.88188  152.2282       11.87240  2527.451 92.85785 2433.205 96.37762 94.24609       133.8328 
1 1 1 -2  8  6  f 2151.062 53.03687 117.9795       5.433059  118.8114       6.652429  116.3130       9.415097  2163.853 60.72518 2138.271 86.97179 25.58203       106.0737 
1 1 1 -2  8  7  o 1346.079 31.51869 47.11717       2.076159  51.65228       2.697389  40.52520       3.252051  1427.862 37.31417 1264.297 50.80713 163.5652       63.03739 
1 1 1 -2  8  8  o 1740.357 47.21254 80.10161       3.528637  83.12998       4.077305  71.06594       7.042854  1810.527 44.48203 1670.188 83.29132 140.3395       94.42507 
1 1 1 -2  8  9  o 445.4597 36.17888 5.133673       0.7963867 5.496441       1.101428  4.736240       1.152853  462.7335 47.69938 428.1859 54.40969 34.54758       72.35776 
1 1 1 -2  8  10 o 2837.860 63.06041 204.2915       8.580204  212.7336       14.85433  200.0645       10.51105  2876.161 102.0132 2799.560 74.16048 76.60132       126.1208 
1 1 1 -2  8  11 o 1863.997 50.93958 91.27425       4.466535  96.61021       5.488514  80.81098       7.685688  1949.678 55.60429 1778.317 85.36700 171.3613       101.8792 
1 1 1 -2  8  12 o 282.5030 54.81363 1.871448       0.8217795 1.100649       1.037086  3.172055       1.347154  219.4022 76.26704 345.6037 78.74946 -126.2015      109.6273 
1 1 1 -2  8  13 o 617.0224 50.51762 10.12451       1.382451  10.48560       1.647611  9.265590       2.541116  639.7897 51.29814 594.2551 87.04379 45.53467       101.0352 
1 1 1 -2  8  14 o 349.1812 61.08831 3.163846       1.002130  3.503908       1.858062  3.024347       1.190055  361.3427 98.75276 337.0197 71.93758 24.32303       122.1766 
1 1 1 -2  8  15 o 1684.122 49.14365 72.89606       3.951079  73.25861       6.837429  72.71430       4.841204  1682.677 80.26170 1685.567 56.73141 -2.890137      98.28730 
1 1 1 -2  8  16 o 870.9230 46.16091 20.03210       1.906608  20.81279       2.369666  18.59892       3.210690  899.4255 52.26549 842.4204 76.10281 57.00507       92.32182 
1 1 1 -2  8  17 o 950.7687 37.36082 23.36982       1.790581  24.30073       2.559233  22.47713       2.506130  969.5520 52.33191 931.9854 53.33570 37.56665       74.72165 
1 1 1 -2  8  18 o 942.9205 47.97388 23.37339       2.104207  23.14642       2.535671  23.87538       3.770996  943.2375 53.31758 942.6035 79.76971 0.6340332      95.94775 
1 1 1 -2  8  19 o 891.2991 38.85204 20.83920       1.743160  21.07903       2.426325  20.58337       2.506007  897.3309 53.65470 885.2673 56.20585 12.06360       77.70408 
1 1 1 -2  8  20 o 356.7156 71.94363 3.245611       1.248779  5.373838       2.439648  2.490025       1.453651  418.5078 112.6523 294.9233 89.51539 123.5844       143.8873 
1 1 1 -2  8  21 o 329.3093 65.86382 2.475086       1.220377  0.8222458      1.475630  6.052157       2.170830  213.8260 86.94853 444.7925 98.95518 -230.9665      131.7276 
1 1 1 -2  8  22 o 322.5855 59.54288 3.068685       1.108441  1.152112       1.538462  5.137506       1.598400  225.8773 89.83460 419.2937 78.17392 -193.4164      119.0858 
1 1 1 -2  8  23 o 370.0802 61.07395 4.370355       1.176831  6.061254       1.642872  2.588313       1.686568  455.3608 73.78800 284.7996 97.34188 170.5612       122.1479 
1 1 1 -2  9  1  o ?        ?        25.57118       3.199797  25.57118       3.199797  0.000000       0.000000  ?        ?        ?        ?        ?              ?        
1 1 1 -2  9  2  o ?        ?        104.8700       4.947549  106.5124       6.068882  101.6155       8.543013  ?        ?        ?        ?        ?              ?        
1 1 1 -2  9  3  o ?        ?        35.17656       2.740038  35.17656       2.740038  0.000000       0.000000  ?        ?        ?        ?        ?              ?        
1 1 1 -2  9  4  o 3635.785 126.0335 342.8014       23.19892  0.000000       0.000000  342.8014       23.19892  ?        ?        3635.785 126.0335 ?              ?        
1 1 1 -2  9  5  o 4261.756 85.54372 459.1017       17.49067  481.7486       30.29859  447.7825       21.42024  4332.928 138.1202 4190.583 100.9639 142.3452       171.0874 
1 1 1 -2  9  6  o 2844.133 63.72016 209.4360       8.570240  195.2402       14.82652  216.5592       10.50259  2767.826 105.8076 2920.439 71.03369 -152.6135      127.4403 
1 1 1 -2  9  7  o 3243.565 56.89281 267.6581       9.341778  263.7026       13.20743  271.6182       13.21511  3219.468 81.03086 3267.662 79.88222 -48.19385      113.7856 
1 1 1 -2  9  8  o 2041.012 47.72052 103.5029       4.316475  100.8534       4.983294  111.4634       8.637851  1992.821 49.39289 2089.204 81.66600 -96.38232      95.44105 
1 1 1 -2  9  9  o 1326.776 32.21375 44.30770       2.133646  47.11065       3.348136  42.39104       2.768648  1361.460 48.57520 1292.092 42.32438 69.36792       64.42750 
1 1 1 -2  9  10 o 1448.296 36.54750 53.26434       2.678550  51.05524       3.742554  55.58420       3.835230  1417.479 52.15163 1479.113 51.21608 -61.63440      73.09499 
1 1 1 -2  9  11 o 1713.024 49.02378 76.37318       3.972564  79.56174       4.881078  70.11738       6.836907  1769.264 54.49285 1656.784 81.50984 112.4794       98.04757 
1 1 1 -2  9  12 o 1484.046 37.71172 56.02940       2.833322  55.50688       3.991781  56.55993       4.022236  1477.067 53.38055 1491.025 53.28425 -13.95874      75.42344 
1 1 1 -2  9  13 o 1957.327 51.86935 97.89038       4.825677  97.20031       5.880025  99.31406       8.445745  1951.133 59.52627 1963.522 84.96082 -12.38855      103.7387 
1 1 1 -2  9  14 o 1547.831 38.34805 61.19690       3.002761  64.24913       4.264360  58.19514       4.228953  1586.401 53.09542 1509.260 55.34587 77.14172       76.69609 
1 1 1 -2  9  15 o 725.3328 45.30111 13.55084       1.585276  13.91900       2.631912  13.34122       1.985944  730.8991 72.06413 719.7664 54.91378 11.13269       90.60223 
1 1 1 -2  9  16 o 880.0325 44.40690 20.46199       1.860896  21.28592       2.321504  18.98092       3.112526  909.2925 50.62997 850.7725 72.96915 58.52008       88.81380 
1 1 1 -2  9  17 o 276.6988 59.42444 2.067862       0.9074540 1.915102       1.313988  2.207154       1.254729  268.8159 85.67300 284.5816 82.37229 -15.76569      118.8489 
1 1 1 -2  9  18 o 594.5345 44.57166 9.431033       1.310768  10.18912       1.808462  8.592036       1.902524  622.1116 58.09144 566.9574 67.61593 55.15424       89.14331 
1 1 1 -2  9  19 o 257.2618 61.54029 1.579189       0.9535153 2.545233       1.543280  0.9827155      1.212667  300.1692 92.44962 214.3544 81.25208 85.81479       123.0806 
1 1 1 -2  9  20 o 753.8854 55.16845 16.16133       1.869303  14.71337       3.336380  16.82382       2.256783  712.7622 94.81072 795.0086 56.43722 -82.24640      110.3369 
1 1 1 -2  9  21 o 333.9483 65.34183 3.520444       1.161109  4.044282       1.484951  2.696286       1.862598  370.7017 81.35613 297.1949 102.2712 73.50677       130.6837 
1 1 1 -2  9  22 o 397.8236 57.89795 4.616316       1.126032  3.438479       1.492294  6.173614       1.715922  334.8316 87.17790 460.8155 76.21487 -125.9839      115.7959 
1 1 1 -2  9  23 o 165.2246 53.46880 -0.4806187     1.010001  -0.8073295     1.469002  -0.1877202     1.390910  159.7787 74.43120 170.6705 76.78312 -10.89178      106.9376 
1 1 1 -2  10 1  o 2597.025 48.97465 175.9002       6.439155  176.5652       9.107466  175.2355       9.105216  2602.072 69.13445 2591.979 69.38654 10.09375       97.94930 
1 1 1 -2  10 2  o 2434.554 45.96817 151.3045       5.665216  153.8074       8.013416  148.8036       8.010235  2454.849 64.47766 2414.260 65.53564 40.58911       91.93633 
1 1 1 -2  10 3  o 3227.590 68.67923 264.5307       10.61331  271.5290       18.36778  261.0229       13.00392  3254.537 111.4766 3200.642 80.25154 53.89453       137.3585 
1 1 1 -2  10 4  o 1805.259 47.73177 83.09553       4.105616  81.74791       7.104242  83.77130       5.030775  1793.245 78.25185 1817.273 54.68032 -24.02820      95.46355 
1 1 1 -2  10 5  o 1376.409 42.50182 47.71742       2.800611  47.01289       3.428547  49.13017       4.855016  1361.742 49.73150 1391.076 68.93763 -29.33325      85.00364 
1 1 1 -2  10 6  o 2897.589 64.77433 215.9460       8.913271  220.1163       10.92157  207.6288       15.42388  2943.064 73.29960 2852.114 106.8177 90.95068       129.5487 
1 1 1 -2  10 7  o 572.3892 42.40531 9.286152       1.061914  10.90255       1.315573  6.263710       1.798953  654.4541 39.89614 490.3242 74.84076 164.1299       84.81062 
1 1 1 -2  10 8  o 2422.724 47.02121 149.7258       5.766404  146.9519       8.171388  152.4774       8.138564  2400.163 67.24678 2445.285 65.74075 -45.12231      94.04242 
1 1 1 -2  10 9  o 1851.632 40.70779 87.27635       3.814694  84.72175       5.400940  89.81935       5.388664  1824.432 58.47337 1878.833 56.65123 -54.40100      81.41557 
1 1 1 -2  10 10 o 1701.473 39.40578 73.65240       3.391885  76.11566       4.765102  71.12239       4.829241  1730.505 54.38957 1672.441 57.03539 58.06421       78.81155 
1 1 1 -2  10 11 o 3010.204 65.83707 230.4644       9.494261  226.4031       11.62982  238.5798       16.43954  2977.001 77.16319 3043.407 106.6955 -66.40552      131.6741 
1 1 1 -2  10 12 o 954.7626 32.57904 23.22269       1.538052  23.26752       1.983595  23.15509       2.435602  957.0332 40.93948 952.4921 50.69058 4.541138       65.15808 
1 1 1 -2  10 13 f 1155.191 35.77086 34.05975       2.088460  36.31019       2.951950  31.80449       2.955111  1193.716 48.84548 1116.665 52.27176 77.05029       71.54172 
1 1 1 -2  10 14 o 1913.416 41.87568 93.79935       4.055175  96.35796       5.726297  91.22533       5.743509  1939.942 58.30442 1886.890 60.12390 53.05225       83.75135 
1 1 1 -2  10 15 o 361.4474 63.15856 3.524793       1.080455  3.530867       1.980636  3.522219       1.289164  360.2306 103.2681 362.6642 72.74421 -2.433624      126.3171 
1 1 1 -2  10 16 o 923.4677 44.22927 22.47435       1.951156  23.11096       2.431772  21.32384       3.269142  946.4778 50.93659 900.4574 72.32134 46.02045       88.45853 
1 1 1 -2  10 17 o 1002.147 37.23813 26.07484       1.883170  27.03176       2.637743  25.08005       2.689419  1022.341 50.96274 981.9521 54.30942 40.38934       74.47626 
1 1 1 -2  10 18 o 825.7198 46.60153 17.77822       1.852054  19.41217       3.146069  16.91165       2.291125  849.2317 73.91128 802.2079 56.77968 47.02380       93.20306 
1 1 1 -2  10 19 o 182.4525 54.57678 -0.1575933     0.9083319 0.9983630      1.393291  -1.012051      1.197889  221.9347 86.32214 142.9703 66.80560 78.96446       109.1536 
1 1 1 -2  10 20 o 252.9678 67.78613 1.556253       1.160880  1.882833       1.908727  1.364532       1.462459  269.1310 101.9565 236.8045 89.35716 32.32645       135.5723 
1 1 1 -2  10 21 o 566.5416 54.25022 8.533053       1.451581  6.242033       1.799301  12.80358       2.456574  462.1024 79.79448 670.9808 73.51997 -208.8784      108.5004 
1 1 1 -2  10 22 o 273.1799 70.33899 2.205384       1.174306  2.142151       1.371598  2.378985       2.272650  265.6353 87.75264 280.7245 109.9535 -15.08923      140.6780 
1 1 1 -2  10 23 o 326.3040 66.87961 3.690186       1.438477  0.6927302      2.196591  5.940856       1.903394  222.9172 98.62167 429.6907 90.36202 -206.7735      133.7592 
1 1 1 -2  11 1  o 897.7939 62.47166 20.56861       2.821820  0.000000       0.000000  20.56861       2.821820  ?        ?        897.7939 62.47166 ?              ?        
1 1 1 -2  11 2  o 1533.267 43.82524 58.31802       3.245710  64.13599       5.601433  55.37722       3.982402  1588.973 69.63043 1477.561 53.23729 111.4113       87.65048 
1 1 1 -2  11 3  o 1492.885 50.46717 56.51185       3.814335  0.000000       0.000000  56.51185       3.814335  ?        ?        1492.885 50.46717 ?              ?        
1 1 1 -2  11 4  o 1682.364 45.53127 71.00170       3.676773  74.46045       6.366412  69.27074       4.503797  1712.059 73.45009 1652.668 53.82815 59.39087       91.06253 
1 1 1 -2  11 5  o 1883.224 49.10357 90.08588       4.413505  90.19257       7.644860  90.03255       5.405259  1882.884 80.19777 1883.564 56.68297 -0.6794434     98.20713 
1 1 1 -2  11 6  o 1112.669 32.85351 31.43671       1.848765  33.13741       2.617749  29.74430       2.611359  1142.783 45.24604 1082.555 47.64670 60.22803       65.70702 
1 1 1 -2  11 7  f 1185.856 33.37485 35.74382       2.002578  37.14573       2.833239  34.34422       2.830909  1209.185 46.28141 1162.526 48.09941 46.65967       66.74970 
1 1 1 -2  11 8  o 1362.564 42.44117 46.38758       2.789334  50.27013       4.813018  44.42409       3.422730  1403.471 67.73767 1321.657 51.15292 81.81482       84.88235 
1 1 1 -2  11 9  o 2038.056 52.23449 112.7282       4.521721  119.2818       5.233064  93.41795       8.982792  2167.135 47.69649 1908.977 92.94522 258.1580       104.4690 
1 1 1 -2  11 10 o 1133.499 48.23353 32.63517       2.767922  32.63517       2.767922  0.000000       0.000000  1133.499 48.23353 ?        ?        ?              ?        
1 1 1 -2  11 11 f 654.8787 50.15528 10.91541       1.621028  12.31816       2.510951  9.912997       2.122626  690.4279 72.93922 619.3296 68.86275 71.09827       100.3106 
1 1 1 -2  11 12 o 1234.473 33.32899 39.23109       2.023680  40.79712       2.602515  36.83610       3.218442  1266.879 40.57649 1202.067 52.88511 64.81226       66.65798 
1 1 1 -2  11 13 o 1204.940 36.75427 37.07593       2.232444  41.69891       3.200853  32.69708       3.115195  1278.586 49.44841 1131.295 54.39081 147.2902       73.50854 
1 1 1 -2  11 14 o 1716.406 39.92929 75.47842       3.468684  72.93690       4.870807  78.09357       4.940865  1686.885 57.03373 1745.926 55.89765 -59.04077      79.85858 
1 1 1 -2  11 15 f 355.7701 56.98083 3.412602       0.9944295 3.623373       1.523420  3.256114       1.312668  364.6745 84.21532 346.8657 76.77917 17.80881       113.9617 
1 1 1 -2  11 16 o 214.5827 57.35493 0.9341576      0.8532052 1.103202       1.123690  0.7040234      1.311102  219.5227 79.10358 209.6427 83.07211 9.880005       114.7099 
1 1 1 -2  11 17 o 1277.491 49.18592 43.41916       2.908509  43.70544       3.497047  42.77675       5.238487  1296.883 53.26197 1258.100 82.70540 38.78223       98.37185 
1 1 1 -2  11 18 o 447.6324 62.91175 5.187458       1.367363  9.147434       2.263427  2.911730       1.715854  576.2901 79.71290 318.9747 97.35199 257.3154       125.8235 
1 1 1 -2  11 19 f 287.6064 63.27906 2.217516       1.050485  1.360119       1.391369  3.354191       1.602025  236.6844 87.58414 338.5284 91.35632 -101.8440      126.5581 
1 1 1 -2  11 20 o 251.7420 70.54932 1.486150       1.363040  0.4513110      2.301843  2.044949       1.691481  234.4863 102.4358 268.9976 97.03474 -34.51126      141.0986 
1 1 1 -2  11 21 o 330.8118 69.29266 3.462998       1.232099  3.170994       1.621086  3.862405       1.895916  317.0641 94.14952 344.5595 101.6945 -27.49545      138.5853 
1 1 1 -2  11 22 o 407.0107 73.49910 5.041619       1.331492  4.568136       1.509733  6.699171       2.824762  389.4911 79.25925 424.5304 123.8000 -35.03928      146.9982 
1 1 1 -2  12 1  o 1223.081 41.01222 37.93403       2.401038  38.24630       4.119580  37.77338       2.954796  1225.543 66.64635 1220.618 47.81499 4.925415       82.02444 
1 1 1 -2  12 2  o 1424.848 50.38293 51.63462       3.627826  51.51593       5.083295  51.75781       5.179088  1424.129 70.50377 1425.566 71.99290 -1.437012      100.7659 
1 1 1 -2  12 3  o 2311.490 63.63199 135.6590       7.446484  0.000000       0.000000  135.6590       7.446484  ?        ?        2311.490 63.63199 ?              ?        
1 1 1 -2  12 4  o 1681.067 38.03836 71.75683       3.235043  75.04453       4.582835  68.49139       4.567288  1719.558 52.64217 1642.575 54.92239 76.98267       76.07672 
1 1 1 -2  12 5  o 622.6619 31.40725 9.903136       0.9820590 9.453368       1.403570  10.33451       1.374567  608.5617 45.89371 636.7621 42.88856 -28.20044      62.81450 
1 1 1 -2  12 6  o 2050.459 42.13165 107.1069       4.372379  110.1447       6.187134  104.0763       6.179828  2079.680 58.76374 2021.238 60.39143 58.44189       84.26329 
1 1 1 -2  12 7  o 1996.892 51.83383 103.4569       4.903562  106.3867       6.011425  97.63121       8.476849  2043.512 58.10542 1950.271 85.85304 93.24036       103.6677 
1 1 1 -2  12 8  o 250.8963 46.33159 1.551049       0.5714527 2.085515       0.9927266 1.286181       0.6988508 280.4918 70.10232 221.3009 60.59811 59.19084       92.66319 
1 1 1 -2  12 9  o 847.8346 30.27113 18.57321       1.262689  19.82334       1.647029  16.79090       1.966594  884.0399 36.79983 811.6294 48.07428 72.41046       60.54225 
1 1 1 -2  12 10 o 386.2779 46.43226 3.976725       0.8284042 4.135851       1.025692  3.678191       1.404892  399.9834 51.87297 372.5723 77.02607 27.41113       92.86452 
1 1 1 -2  12 11 o 1345.875 44.39121 46.33215       2.864452  46.32399       3.535905  46.34773       4.885759  1348.582 51.78926 1343.167 72.11234 5.414551       88.78242 
1 1 1 -2  12 12 o 756.7675 52.37620 15.38166       1.701748  15.95127       1.986369  13.81021       3.299282  789.3439 49.96391 724.1909 92.06885 65.15302       104.7524 
1 1 1 -2  12 13 o 974.2021 37.30272 24.35297       1.830464  25.72940       2.586201  22.97127       2.591139  1002.258 51.13831 946.1461 54.32169 56.11194       74.60545 
1 1 1 -2  12 14 o 220.5344 57.27894 0.9936725      0.8191888 1.264977       1.333773  0.8293371      1.038053  238.3846 86.13898 202.6843 75.52209 35.70033       114.5579 
1 1 1 -2  12 15 o 533.6610 61.36197 7.470278       1.627691  0.000000       0.000000  7.470278       1.627691  ?        ?        533.6610 61.36197 ?              ?        
1 1 1 -2  12 16 o 587.0521 57.63892 10.38490       1.438434  12.23159       1.768605  6.776363       2.472290  685.7589 51.31391 488.3453 103.2272 197.4136       115.2778 
1 1 1 -2  12 17 o 756.1700 47.97939 13.84812       1.641315  12.16176       1.900854  18.78967       3.253909  680.0740 55.69733 832.2659 78.14021 -152.1919      95.95877 
1 1 1 -2  12 18 o 233.2747 62.06227 1.076067       0.9968018 1.944040       1.591579  0.5158692      1.278633  270.0189 94.44579 196.5305 80.54127 73.48836       124.1245 
1 1 1 -2  12 19 o 204.4567 58.98629 0.6597836      0.9592130 0.7240484      1.441898  0.6087651      1.284729  210.4483 85.80413 198.4651 80.96407 11.98322       117.9726 
1 1 1 -2  12 20 o 206.9240 59.88014 0.7464997      1.011932  0.2689569      1.527585  1.119926       1.350834  195.0524 84.33954 218.7955 85.02568 -23.74306      119.7603 
1 1 1 -2  12 21 o 433.8785 65.59450 6.149015       1.376065  7.020086       1.769224  4.815178       2.189310  491.8227 73.29287 375.9344 108.8058 115.8883       131.1890 
1 1 1 -2  12 22 o 293.1924 79.25002 2.463852       1.312563  2.093370       1.433853  4.379943       3.260836  258.3380 89.68417 328.0468 130.6867 -69.70880      158.5000 
1 1 1 -2  13 1  f 1928.800 40.18495 94.51575       3.920736  89.97803       5.541440  99.06436       5.548081  1882.279 58.15072 1975.322 55.47807 -93.04321      80.36990 
1 1 1 -2  13 2  o 444.6067 46.07887 5.284710       0.9049327 5.511001       1.082849  4.760730       1.647753  463.7160 46.76302 425.4974 79.41202 38.21866       92.15774 
1 1 1 -2  13 3  o 1844.815 48.61943 86.31523       4.276068  87.71614       7.448971  85.62669       5.222222  1854.109 79.35558 1835.522 56.19688 18.58667       97.23887 
1 1 1 -2  13 4  o 2036.526 41.90486 105.5759       4.320271  104.2920       6.112652  106.8573       6.106922  2024.080 59.65109 2048.972 58.87119 -24.89160      83.80972 
1 1 1 -2  13 5  o 1281.283 34.38563 41.74346       2.230274  42.58858       3.163895  40.90874       3.144364  1294.214 48.28725 1268.353 48.96762 25.86060       68.77126 
1 1 1 -2  13 6  o 3175.142 56.27421 258.4118       9.044490  263.8892       12.79476  252.9411       12.78693  3209.183 78.75060 3141.100 80.40827 68.08276       112.5484 
1 1 1 -2  13 7  o 1754.013 48.61008 80.17915       4.028322  83.49307       4.943962  73.63333       6.948411  1811.744 53.90072 1696.282 80.91028 115.4618       97.22017 
1 1 1 -2  13 8  o 1241.423 42.35452 39.48219       2.502060  38.70702       4.309275  39.87641       3.073129  1230.029 69.48419 1252.818 48.45172 -22.78931      84.70905 
1 1 1 -2  13 9  o 1611.579 37.86520 66.08076       3.088416  67.90588       4.363160  64.24805       4.372215  1634.003 52.74298 1589.155 54.34400 44.84802       75.73039 
1 1 1 -2  13 10 o 506.7400 52.51347 6.736442       1.298706  7.575822       1.839333  5.901945       1.833975  540.0338 68.84103 473.4461 79.31943 66.58768       105.0269 
1 1 1 -2  13 11 o 317.4140 56.56639 2.609987       0.9134099 3.482195       1.400263  1.963959       1.205106  360.9371 78.83635 273.8908 81.14096 87.04630       113.1328 
1 1 1 -2  13 12 o 594.9914 43.54059 9.066864       1.302453  9.066864       1.302453  0.000000       0.000000  594.9914 43.54059 ?        ?        ?              ?        
1 1 1 -2  13 13 o 521.7473 51.65649 6.948032       1.305223  5.923314       1.673718  8.538341       2.085070  473.6102 72.07741 569.8844 74.01633 -96.27417      103.3130 
1 1 1 -2  13 14 o 795.4346 48.52448 16.02650       1.539723  15.69110       1.714866  17.42144       3.497266  782.0487 43.48421 808.8204 86.76188 -26.77173      97.04896 
1 1 1 -2  13 15 o 812.2289 51.74294 16.95946       1.901658  16.25981       2.236120  18.78768       3.614688  790.1830 56.26389 834.2748 86.85449 -44.09180      103.4859 
1 1 1 -2  13 16 f 463.5701 68.16766 6.091835       1.547773  6.729678       2.232544  5.501561       2.147684  488.7766 93.62971 438.3637 99.09994 50.41281       136.3353 
1 1 1 -2  13 17 o 372.1845 78.92124 4.257796       1.659128  5.133122       2.123579  2.886324       2.658135  418.1350 101.3678 326.2339 120.9910 91.90109       157.8425 
1 1 1 -2  13 18 o 314.4013 74.12772 2.843726       1.434181  1.823925       2.057438  3.807621       2.000247  273.5806 105.3170 355.2220 104.3456 -81.64145      148.2554 
1 1 1 -2  13 19 o 624.3911 46.93149 10.62465       1.443246  8.761991       1.939433  12.93622       2.160538  560.5904 69.85059 688.1918 62.69893 -127.6014      93.86298 
1 1 1 -2  13 20 o 220.7332 53.57713 0.7470850      0.9958802 2.732937       1.282606  -2.267640      1.580315  299.9426 82.07871 141.5238 68.88484 158.4188       107.1543 
1 1 1 -2  13 21 o 430.7462 61.95828 5.768216       1.304972  5.411470       1.851258  6.120564       1.839812  414.1588 90.79449 447.3336 84.33075 -33.17487      123.9166 
1 1 1 -2  13 22 o 207.2733 67.86601 0.1099158      1.273553  0.2079510E-01  1.387926  0.5847756      3.203760  173.6785 77.52262 240.8681 111.4156 -67.18959      135.7320 
1 1 1 -2  14 1  o 1553.439 37.17629 61.37164       2.923774  61.38711       4.135046  61.35618       4.134635  1553.635 52.57119 1553.242 52.57925 0.3925781      74.35258 
1 1 1 -2  14 2  f 902.3571 32.28044 20.74159       1.469892  20.76087       2.082026  20.72243       2.075470  902.7699 45.70280 901.9443 45.60003 0.8255615      64.56088 
1 1 1 -2  14 3  o 1536.642 36.95547 60.11871       2.872808  62.94100       4.069644  57.31542       4.055919  1572.784 51.10975 1500.500 53.39119 72.28406       73.91093 
1 1 1 -2  14 4  o 536.0355 32.90163 7.358630       0.8812753 8.108295       1.263996  6.649499       1.229349  563.0355 44.71116 509.0356 48.28025 53.99985       65.80327 
1 1 1 -2  14 5  o 1844.115 39.73563 86.63070       3.709614  85.73358       5.251403  87.52426       5.240984  1834.513 56.54196 1853.716 55.84521 -19.20288      79.47126 
1 1 1 -2  14 6  o 1131.338 33.40322 32.52406       1.913186  32.32344       2.706459  32.72443       2.704848  1127.836 47.39928 1134.839 47.07874 -7.003418      66.80643 
1 1 1 -2  14 7  o 1131.552 41.98697 33.57870       2.230660  35.39169       2.742720  30.03637       3.833790  1180.397 45.89547 1082.706 70.32233 97.69092       83.97395 
1 1 1 -2  14 8  o 674.6492 32.12275 11.61117       1.090515  11.95321       1.556614  11.28149       1.528221  684.4774 45.17384 664.8211 45.68159 19.65625       64.24549 
1 1 1 -2  14 9  o 1517.751 37.12753 58.66538       2.852602  59.36654       4.025614  57.95822       4.042818  1526.934 52.07486 1508.568 52.93412 18.36682       74.25505 
1 1 1 -2  14 10 o 351.3702 52.05895 3.347817       0.8567403 3.506039       1.055286  3.041894       1.467379  365.9078 58.97015 336.8325 85.80827 29.07532       104.1179 
1 1 1 -2  14 11 o 1429.288 37.50725 52.20754       2.714009  51.90523       3.840341  52.50917       3.836040  1425.107 53.22782 1433.469 52.85806 -8.361694      75.01450 
1 1 1 -2  14 12 o 1523.527 44.23960 59.21589       3.412283  59.21589       3.412283  0.000000       0.000000  1523.527 44.23960 ?        ?        ?              ?        
1 1 1 -2  14 13 o 559.9429 39.50812 8.226601       1.058822  8.479593       1.336889  7.800837       1.734308  573.8502 46.41389 546.0356 63.94777 27.81458       79.01624 
1 1 1 -2  14 14 o 464.4197 47.77169 6.069476       0.9989588 6.805026       1.245037  4.740209       1.673717  512.1551 48.59926 416.6842 82.25965 95.47086       95.54339 
1 1 1 -2  14 15 o 948.5406 39.44079 23.50338       1.884012  24.47357       2.657709  22.52336       2.671133  968.9916 54.39558 928.0897 57.12638 40.90186       78.88158 
1 1 1 -2  14 16 o 530.0557 53.41670 7.452834       1.330313  6.933877       1.632674  8.477973       2.294697  507.9989 64.97079 552.1124 84.80668 -44.11343      106.8334 
1 1 1 -2  14 17 o 759.3411 51.64762 14.94572       1.644709  14.28333       1.862375  17.29294       3.505806  737.2679 50.19388 781.4143 90.28001 -44.14636      103.2952 
1 1 1 -2  14 18 o 640.7719 64.26179 12.16941       1.717423  12.50999       2.001052  11.21693       3.346402  682.0269 58.51942 599.5168 114.4281 82.51007       128.5236 
1 1 1 -2  14 19 o 307.0691 71.73804 2.794419       1.249010  3.799327       2.130835  2.268426       1.541617  339.4892 109.1951 274.6490 93.06882 64.84015       143.4761 
1 1 1 -2  14 20 o 232.6378 68.18478 1.180316       1.339987  0.3870338      2.127039  1.702315       1.725425  218.3194 96.79478 246.9563 96.05949 -28.63698      136.3696 
1 1 1 -2  14 21 o 276.9354 68.64790 2.349967       1.180345  1.650429       1.505377  3.466425       1.901782  238.0674 90.45937 315.8034 103.2823 -77.73604      137.2958 
1 1 1 -2  15 1  o 1853.286 50.15636 88.07263       4.418446  88.39157       5.397923  87.42504       7.691720  1861.925 57.26389 1844.647 82.36194 17.27844       100.3127 
1 1 1 -2  15 2  o 1537.779 45.56285 60.25754       3.334332  60.83142       5.817503  59.97679       4.069004  1540.875 74.57371 1534.683 52.37037 6.191284       91.12570 
1 1 1 -2  15 3  o 1909.957 40.86551 92.98460       3.951361  93.98540       5.590305  91.98541       5.585836  1920.293 57.50219 1899.620 58.08149 20.67261       81.73103 
1 1 1 -2  15 4  o 1605.781 37.74075 65.62305       3.068159  65.48899       4.343634  65.75655       4.334445  1604.126 53.48488 1607.436 53.26184 -3.309570      75.48150 
1 1 1 -2  15 5  o 294.8986 42.06473 2.339367       0.6027487 1.885983       0.8923314 2.719820       0.8174174 266.7360 66.35167 323.0611 51.72256 -56.32510      84.12946 
1 1 1 -2  15 6  o 1159.609 33.61697 34.16327       1.971997  36.06911       2.814202  32.32465       2.764121  1191.459 46.65439 1127.758 48.41249 63.70044       67.23393 
1 1 1 -2  15 7  o 2643.989 49.46624 178.6038       6.618784  184.5380       9.366108  172.6840       9.354651  2688.253 68.81853 2599.725 71.07494 88.52759       98.93249 
1 1 1 -2  15 8  o 554.9917 40.97796 7.738512       1.083918  8.612482       1.865209  7.292873       1.331897  577.0228 64.97945 532.9605 49.94439 44.06232       81.95592 
1 1 1 -2  15 9  o 1707.776 46.26278 72.65970       3.817576  81.56174       6.605352  68.19474       4.677996  1781.572 73.23337 1633.981 56.54955 147.5905       92.52555 
1 1 1 -2  15 10 o 788.2675 33.97774 15.89055       1.347106  14.63615       1.871538  17.23913       1.940524  755.6963 49.18583 820.8386 46.89031 -65.14233      67.95548 
1 1 1 -2  15 11 o 715.0807 37.39338 13.14934       1.342857  13.93811       1.922433  12.39775       1.876570  736.3332 51.90175 693.8282 53.84486 42.50494       74.78677 
1 1 1 -2  15 12 o 1134.932 34.44580 33.74030       1.901172  36.10899       2.437009  30.05723       3.038843  1189.650 40.46265 1080.214 55.75686 109.4355       68.89161 
1 1 1 -2  15 13 o 734.4958 43.67176 14.52441       1.379723  15.00875       1.606587  13.16347       2.693061  764.6852 41.65609 704.3065 76.77020 60.37878       87.34353 
1 1 1 -2  15 14 o 698.3048 38.00450 12.47028       1.292957  11.76254       1.621444  13.70617       2.142654  673.5667 47.86010 723.0430 59.04896 -49.47638      76.00900 
1 1 1 -2  15 15 o 132.9130 44.80633 -1.220892      0.7867646 -0.7794141     0.9299400 -2.332712      1.475767  127.4842 59.33141 138.3419 67.15812 -10.85769      89.61266 
1 1 1 -2  15 16 o 298.4077 58.78296 1.573348       0.9279370 0.4576066      1.069493  4.971180       1.866367  181.9995 74.01630 414.8160 91.34183 -232.8165      117.5659 
1 1 1 -2  15 17 o 511.1773 54.94748 7.395089       1.359611  6.241996       1.941865  8.503941       1.904248  466.0236 85.45441 556.3311 69.09735 -90.30756      109.8950 
1 1 1 -2  15 18 f 631.7198 42.61476 10.87271       1.301532  10.85035       1.650280  10.90951       2.116959  636.7892 51.63377 626.6505 67.80873 10.13879       85.22952 
1 1 1 -2  15 19 o 527.1763 51.17919 8.118133       1.305187  9.223887       1.802487  6.899282       1.892423  573.3580 63.14260 480.9947 80.56209 92.36337       102.3584 
1 1 1 -2  15 20 o 187.5651 62.74263 -0.7629294     1.198871  -0.9407259     1.331252  0.3288024E-04  2.757720  148.1432 69.60578 226.9869 104.4107 -78.84369      125.4853 
1 1 1 -2  15 21 o 268.4629 78.30819 2.340155       1.591711  2.199841       1.843412  2.751307       3.155537  258.2579 99.61299 278.6678 120.8550 -20.40991      156.6164 
1 1 1 -2  16 1  o 1123.407 43.58067 32.65457       2.297461  33.40339       2.798827  31.10768       4.022718  1146.163 48.23321 1100.651 72.59930 45.51208       87.16135 
1 1 1 -2  16 2  o 1142.745 40.93290 31.98785       2.209402  37.05930       4.010357  29.77778       2.647400  1203.262 66.08549 1082.228 48.31891 121.0338       81.86580 
1 1 1 -2  16 3  o 2037.281 42.51123 105.7576       4.384556  106.7779       6.204982  104.7401       6.196424  2047.151 59.86970 2027.412 60.36919 19.73840       85.02247 
1 1 1 -2  16 4  o 1559.699 37.42584 61.89657       2.954971  60.94159       4.181069  62.84963       4.176854  1547.613 53.36314 1571.785 52.48952 -24.17175      74.85168 
1 1 1 -2  16 5  f 1265.781 34.36824 40.73804       2.202265  40.48382       3.126550  40.98836       3.102535  1261.823 48.94219 1269.739 48.26349 -7.916016      68.73647 
1 1 1 -2  16 6  o 1006.869 40.12798 25.57660       1.936898  24.92531       2.378509  26.85870       3.337187  990.0292 47.45404 1023.709 64.72352 -33.67938      80.25597 
1 1 1 -2  16 7  o 585.6627 43.92257 8.983747       1.163273  8.552016       2.112366  9.171666       1.393633  572.7324 74.62322 598.5929 46.34807 -25.86047      87.84514 
1 1 1 -2  16 8  o 1124.077 34.11836 32.23580       1.938876  34.21994       2.742843  30.25414       2.741129  1158.918 46.74817 1089.236 49.70772 69.68176       68.23672 
1 1 1 -2  16 9  o 735.8909 42.81132 14.26935       1.459136  14.79761       1.776922  13.17568       2.556754  760.2830 46.38654 711.4988 71.96893 48.78424       85.62264 
1 1 1 -2  16 10 o 792.0150 34.05080 16.11226       1.355656  17.29503       1.913855  14.92122       1.920536  821.7440 46.19062 762.2861 50.04253 59.45782       68.10160 
1 1 1 -2  16 11 o 379.3694 66.89088 4.032151       1.268931  4.436568       1.616712  3.383282       2.047840  405.4837 81.58019 353.2552 106.0294 52.22852       133.7818 
1 1 1 -2  16 12 o 386.4604 51.94760 4.030527       0.9783382 4.284956       1.371381  3.766840       1.396109  400.0643 70.27290 372.8565 76.52407 27.20776       103.8952 
1 1 1 -2  16 13 o 891.2469 41.79535 21.35059       1.634284  22.07895       1.916991  19.41294       3.126702  927.6917 40.81623 854.8022 72.94821 72.88953       83.59071 
1 1 1 -2  16 14 o 177.6745 50.80091 0.2330404      0.7799233 0.9956884      0.9929703 -0.9951614     1.260112  206.4097 74.36217 148.9394 69.23293 57.47029       101.6018 
1 1 1 -2  16 15 o 279.3360 58.12433 2.282256       0.8807673 2.632940       1.067858  1.536053       1.557701  307.6288 70.12426 251.0431 92.71645 56.58574       116.2487 
1 1 1 -2  16 16 o 481.3522 76.61594 8.209323       1.566262  9.002276       1.741433  4.852039       3.583248  578.2821 60.37179 384.4224 140.8377 193.8597       153.2319 
1 1 1 -2  16 17 o 1171.858 40.45184 36.79849       2.399730  36.96634       3.378068  36.62749       3.409612  1175.032 56.78517 1168.683 57.62680 6.348999       80.90367 
1 1 1 -2  16 18 o 398.1767 59.59947 4.776824       1.163556  4.476224       1.609422  5.105989       1.684155  384.1743 84.99934 412.1791 83.56732 -28.00476      119.1989 
1 1 1 -2  16 19 o 326.6000 64.70214 3.451915       1.079138  3.447777       1.319087  3.460289       1.876489  335.3615 78.99358 317.8386 102.4963 17.52292       129.4043 
1 1 1 -2  16 20 o 151.6535 49.83852 -0.7591246     0.9430751 -0.1581228     1.250694  -1.551197      1.435805  161.7965 72.79864 141.5105 68.08723 20.28603       99.67704 
1 1 1 -2  16 21 o 288.9653 81.88688 3.282420       1.679505  2.904415       1.948171  4.376424       3.314270  276.9026 103.4051 301.0280 127.0009 -24.12537      163.7738 
1 1 1 -2  17 1  o 1398.459 35.48682 49.74541       2.512435  49.50632       3.542143  49.98748       3.564199  1395.082 50.15135 1401.836 50.22050 -6.753784      70.97364 
1 1 1 -2  17 2  o 945.9576 34.33095 22.79388       1.640541  22.28219       2.330334  23.29666       2.309951  934.7005 49.42062 957.2147 47.66612 -22.51416      68.66190 
1 1 1 -2  17 3  o 1219.151 35.62777 37.81326       2.198884  37.22103       3.097217  38.41514       3.122319  1209.502 50.58029 1228.799 50.18950 -19.29651      71.25554 
1 1 1 -2  17 4  o 1735.536 39.34565 76.74837       3.457105  76.91383       4.896927  76.58396       4.881280  1737.395 55.67258 1733.677 55.61370 3.717651       78.69129 
1 1 1 -2  17 5  o 2241.778 55.53033 130.5354       5.911301  124.7597       10.20274  133.4540       7.252642  2198.138 91.68077 2285.418 62.68259 -87.28027      111.0607 
1 1 1 -2  17 6  o 433.9399 46.20903 4.747853       0.9509551 4.280912       1.178827  5.617925       1.609151  405.1247 59.22400 462.7552 70.94797 -57.63058      92.41805 
1 1 1 -2  17 7  o 258.6721 53.38229 1.334924       0.6815140 2.850810       1.388167  0.8535227      0.7822791 325.7613 83.71653 191.5830 66.25874 134.1783       106.7646 
1 1 1 -2  17 8  o 698.0400 33.45557 12.50352       1.170141  13.99167       1.674274  11.08254       1.636047  739.2889 44.94637 656.7913 49.56737 82.49762       66.91114 
1 1 1 -2  17 9  o 1050.313 49.16597 28.62454       2.599210  29.05764       3.664357  28.18598       3.687428  1058.629 68.74296 1041.998 70.31057 16.63086       98.33194 
1 1 1 -2  17 10 o 689.6069 34.45472 12.25100       1.193371  12.94859       1.684620  11.54832       1.690760  709.7866 47.14854 669.4272 50.25460 40.35931       68.90943 
1 1 1 -2  17 11 o 705.4359 43.84620 12.81277       1.426759  12.54598       1.707171  13.43075       2.598275  697.3441 48.66056 713.5277 72.95278 -16.18365      87.69241 
1 1 1 -2  17 12 o 910.8846 37.03500 21.48046       1.698495  22.46861       2.480051  20.60755       2.330945  930.4228 52.86800 891.3465 51.87811 39.07629       74.06999 
1 1 1 -2  17 13 o 402.8988 49.79139 4.436390       0.9061462 4.472333       1.092210  4.357016       1.623069  411.1754 53.75499 394.6221 83.82800 16.55334       99.58279 
1 1 1 -2  17 14 o 247.5561 62.25935 1.356089       0.9116245 0.9943556      1.080256  2.251077       1.699187  208.7872 77.19080 286.3249 97.70612 -77.53772      124.5187 
1 1 1 -2  17 15 o 236.1698 62.47269 0.9759410      1.003690  0.2368449      1.237954  2.393780       1.714619  182.3578 77.31362 289.9819 98.15269 -107.6241      124.9454 
1 1 1 -2  17 16 o 210.1994 70.56843 -0.4323472     1.140769  -0.3876607     1.193258  -0.9070227     3.889058  157.5773 70.98438 262.8214 121.9870 -105.2440      141.1369 
1 1 1 -2  17 17 o 260.1580 65.56837 1.766256       1.204384  3.097127       1.662596  0.2967368      1.747054  314.6260 95.78581 205.6900 89.56519 108.9359       131.1367 
1 1 1 -2  17 18 o 252.4752 65.22102 1.682891       0.9989034 1.251602       1.177138  2.792466       1.888083  215.3023 80.38333 289.6481 102.7309 -74.34579      130.4420 
1 1 1 -2  17 19 o 286.5935 60.83860 2.894971       1.064145  3.689692       1.279802  1.114624       1.915524  347.7780 74.90059 225.4090 95.89182 122.3690       121.6772 
1 1 1 -2  17 20 o 221.6254 61.32586 1.241331       0.9570806 0.7560804      1.171020  2.217624       1.661006  187.4090 76.97205 255.8418 95.49213 -68.43277      122.6517 
1 1 1 -2  18 1  o 1760.127 50.00521 79.16656       4.182116  79.94351       7.316609  78.78953       5.096797  1762.932 81.97675 1757.322 57.28783 5.609985       100.0104 
1 1 1 -2  18 2  o 524.4757 36.59053 7.106469       0.9536137 6.422227       1.363029  7.762510       1.334646  498.8832 54.87330 550.0681 48.41888 -51.18488      73.18106 
1 1 1 -2  18 3  o 793.4979 34.78516 16.09096       1.386452  17.76983       1.992924  14.51633       1.930064  834.0206 47.39436 752.9753 50.92939 81.04523       69.57031 
1 1 1 -2  18 4  o 190.9649 47.58051 0.7171543      0.6030213 0.1998376      0.8324552 1.288328       0.8747154 157.4620 64.81144 224.4679 69.67852 -67.00592      95.16102 
1 1 1 -2  18 5  o 2306.709 45.63266 136.5726       5.327400  132.7542       7.537735  140.3836       7.530432  2274.029 65.47286 2339.390 63.58193 -65.36108      91.26531 
1 1 1 -2  18 6  o 431.6447 53.63413 5.554852       1.018630  6.656230       1.253581  3.414217       1.747655  508.1546 49.34972 355.1347 95.24224 153.0199       107.2683 
1 1 1 -2  18 7  o 1064.836 34.31786 28.98979       1.849289  30.04069       2.621788  27.94926       2.608839  1084.208 47.76409 1045.464 49.28949 38.74304       68.63572 
1 1 1 -2  18 8  o 987.4833 34.98665 25.00054       1.745612  24.53586       2.478146  25.45818       2.459297  977.5767 50.24150 997.3900 48.70375 -19.81335      69.97330 
1 1 1 -2  18 9  f 611.8251 47.21958 10.25508       1.324378  11.24051       1.647588  8.455712       2.226361  660.2844 49.65068 563.3657 80.33408 96.91870       94.43916 
1 1 1 -2  18 10 o 512.1416 48.50930 6.793808       1.121742  7.330804       2.073312  6.571560       1.333823  521.9498 81.09267 502.3334 53.25964 19.61639       97.01861 
1 1 1 -2  18 11 o 525.0593 51.94618 7.399077       1.197065  7.402306       1.412174  7.390834       2.256421  532.2500 53.11635 517.8687 89.28760 14.38135       103.8924 
1 1 1 -2  18 12 o 914.2378 37.53922 21.81511       1.727367  22.18041       2.522138  21.49239       2.370628  920.7854 54.34452 907.6902 51.80198 13.09521       75.07844 
1 1 1 -2  18 13 f 263.5427 58.04891 1.915721       0.8404981 1.935302       1.056386  1.881943       1.387473  263.5152 75.37967 263.5702 88.29840 -0.5505371E-01 116.0978 
1 1 1 -2  18 14 o 319.1952 61.55355 2.928661       0.9444690 2.931913       1.097670  2.919389       1.853472  323.8189 69.06315 314.5714 101.9100 9.247498       123.1071 
1 1 1 -2  18 15 o 595.9625 51.17772 9.769154       1.324167  9.636405       1.545888  10.13493       2.566088  601.6709 51.23797 590.2542 88.60760 11.41669       102.3554 
1 1 1 -2  18 16 o 280.1739 88.08224 2.354280       1.392822  2.354280       1.392822  0.000000       0.000000  280.1739 88.08224 ?        ?        ?              ?        
1 1 1 -2  18 17 o 194.9456 59.03834 0.4096032      0.9820121 0.1623666      1.198936  0.9135619      1.711736  171.3636 74.40668 218.5276 91.68288 -47.16402      118.0767 
1 1 1 -2  18 18 o 484.4447 53.32186 7.267362       1.163408  7.736012       1.436553  6.374155       1.983231  526.3665 54.70681 442.5230 91.54260 83.84348       106.6437 
1 1 1 -2  18 19 o 260.2335 62.36523 2.308982       1.033326  2.838668       1.295118  1.381151       1.714095  294.7914 83.16550 225.6757 92.95797 69.11569       124.7305 
1 1 1 -2  18 20 o 145.5397 48.62587 -0.8331727     0.9462693 -0.2573828     1.164568  -1.952061      1.623403  149.5520 68.44323 141.5273 69.08999 8.024704       97.25175 
1 1 1 -2  19 1  o 1096.500 45.17669 31.27526       2.299259  30.01349       4.105862  31.85172       2.775219  1075.848 75.86852 1117.152 49.06834 -41.30359      90.35339 
1 1 1 -2  19 2  o 1177.554 35.19575 35.40839       2.097235  36.85479       2.979608  33.98825       2.952454  1201.549 48.98173 1153.560 50.55446 47.98914       70.39150 
1 1 1 -2  19 3  o 211.5935 74.91331 1.013613       1.003578  1.013613       1.003578  0.000000       0.000000  211.5935 74.91331 ?        ?        ?              ?        
1 1 1 -2  19 4  o 1583.189 38.20954 64.19313       3.062400  65.05701       4.333929  63.33167       4.327853  1593.939 53.70644 1572.439 54.36445 21.50000       76.41908 
1 1 1 -2  19 5  o 347.9956 48.31302 3.226167       0.8193172 2.466432       1.128646  4.072547       1.191268  302.6641 74.22351 393.3272 61.86649 -90.66315      96.62604 
1 1 1 -2  19 6  o 753.7927 43.40112 14.67610       1.538081  14.57794       1.873486  14.87904       2.693814  753.0049 49.41804 754.5806 71.36167 -1.575623      86.80225 
1 1 1 -2  19 7  o 530.9346 37.63538 7.347429       0.9896774 8.255744       1.391855  6.418569       1.407507  565.5456 49.09914 496.3235 57.05227 69.22208       75.27075 
1 1 1 -2  19 8  o 734.5724 35.63903 13.91724       1.315010  14.01545       1.920210  13.83049       1.804581  736.6295 51.81922 732.5153 48.94213 4.114136       71.27807 
1 1 1 -2  19 9  o 900.6035 45.27856 21.10105       1.904218  20.91969       2.300777  21.49541       3.392772  899.7800 50.71410 901.4269 75.02449 -1.646912      90.55713 
1 1 1 -2  19 10 o 556.1643 49.50595 7.920024       1.244063  9.142472       2.344158  7.440727       1.467826  579.7165 82.17097 532.6122 55.23845 47.10431       99.01189 
1 1 1 -2  19 11 o 479.7241 45.08197 6.305263       1.035240  7.063745       1.377923  5.322275       1.568650  517.9986 53.30359 441.4495 72.72046 76.54907       90.16395 
1 1 1 -2  19 12 o 222.4065 54.18344 1.272175       0.7691473 1.690518       0.9723281 0.5727323      1.257252  247.2626 72.78461 197.5505 80.28563 49.71211       108.3669 
1 1 1 -2  19 13 o 507.4547 44.98302 7.031454       1.114470  7.219437       1.478930  6.784431       1.695337  518.6622 57.27783 496.2473 69.37680 22.41492       89.96605 
1 1 1 -2  19 14 o 378.6575 55.55434 3.856533       0.9738281 3.333082       1.170749  5.031986       1.754402  343.4860 69.70626 413.8289 86.52271 -70.34299      111.1087 
1 1 1 -2  19 15 o 290.4465 72.31435 2.567782       1.321565  2.665215       1.821574  2.459505       1.920279  294.6014 101.1524 286.2917 103.3715 8.309723       144.6287 
1 1 1 -2  19 16 o 487.7106 56.53518 6.542859       1.199835  5.920814       1.386689  8.395726       2.393264  459.4123 61.13816 516.0090 95.11589 -56.59671      113.0704 
1 1 1 -2  19 17 o 435.5524 62.51928 5.276140       1.224447  4.110035       1.426801  8.534924       2.385186  363.1917 79.77821 507.9131 96.28124 -144.7214      125.0386 
1 1 1 -2  19 18 o 437.8304 68.39523 6.762893       1.491295  8.152957       2.038246  5.161511       2.187696  507.4734 82.14105 368.1874 109.3823 139.2861       136.7905 
1 1 1 -2  19 19 o 284.5268 76.38182 3.210590       1.481621  2.971612       1.856398  3.629934       2.459104  278.5944 101.4768 290.4591 114.1893 -11.86469      152.7636 
1 1 1 -2  20 1  o 791.3369 35.34969 16.09364       1.408187  15.40981       1.978534  16.79565       2.004677  774.0516 50.76948 808.6223 49.20226 -34.57068      70.69938 
1 1 1 -2  20 2  o 586.8421 37.58500 8.937194       1.084998  7.051922       1.506766  10.96751       1.563654  520.6083 58.16174 653.0759 47.62079 -132.4677      75.16999 
1 1 1 -2  20 3  o 1683.215 39.14691 72.79091       3.335812  72.55128       4.734949  73.02704       4.700343  1680.331 55.65918 1686.098 55.06341 -5.767090      78.29382 
1 1 1 -2  20 4  o 656.6984 35.30172 11.13015       1.163097  10.57392       1.656164  11.67145       1.633798  640.0123 51.55006 673.3845 48.24351 -33.37219      70.60343 
1 1 1 -2  20 5  o 867.7498 45.42949 19.86367       1.819627  20.33573       2.198592  18.83722       3.241984  889.2460 49.02530 846.2536 76.49754 42.99243       90.85898 
1 1 1 -2  20 6  o 706.8403 45.50051 13.04702       1.495952  13.06380       2.646715  13.03915       1.813393  703.0582 75.54361 710.6224 50.73806 -7.564209      91.00103 
1 1 1 -2  20 7  o 559.6102 37.05484 8.095798       1.034711  8.881314       1.525638  7.426719       1.408033  584.9144 52.06433 534.3061 52.74041 50.60834       74.10969 
1 1 1 -2  20 8  o 451.1558 41.27879 5.345530       0.9155944 6.105662       1.339139  4.678260       1.254676  482.3387 55.87370 419.9728 60.77733 62.36588       82.55758 
1 1 1 -2  20 9  o 881.1122 46.96308 21.07507       1.915799  22.03911       2.339890  19.11458       3.336807  920.8596 50.38113 841.3647 79.27083 79.49493       93.92616 
1 1 1 -2  20 10 o 296.5997 68.03983 2.174281       1.155945  3.594111       1.944329  1.398082       1.437600  350.9132 102.8189 242.2862 89.14001 108.6270       136.0797 
1 1 1 -2  20 11 o 540.5240 48.93730 7.863569       1.282799  8.547984       2.054381  7.426173       1.642323  556.5473 74.80554 524.5007 63.11552 32.04663       97.87460 
1 1 1 -2  20 12 o 171.7053 51.99826 0.7558474E-01  0.8269151 0.5527253      1.046701  -0.7167122     1.348787  183.5229 73.72158 159.8878 73.35125 23.63513       103.9965 
1 1 1 -2  20 13 o 381.7496 53.77327 4.359916       0.9623731 4.844781       1.209141  3.521890       1.589626  421.4531 58.22371 342.0462 90.42265 79.40683       107.5465 
1 1 1 -2  20 14 o 295.0509 61.32219 2.759027       1.007378  3.263643       1.236756  1.764205       1.736506  334.6242 74.87434 255.4775 97.13639 79.14673       122.6444 
1 1 1 -2  20 15 o 460.3742 62.59589 5.968646       1.421121  5.968646       1.421121  0.000000       0.000000  460.3742 62.59589 ?        ?        ?              ?        
1 1 1 -2  20 16 o 213.4381 90.28943 0.9363921      1.682364  0.000000       0.000000  0.9363921      1.682364  ?        ?        213.4381 90.28943 ?              ?        
1 1 1 -2  20 17 o 267.8173 64.79170 2.574621       1.246398  3.658065       1.508967  0.2481531      2.211185  328.7976 88.63514 206.8370 94.52869 121.9606       129.5834 
1 1 1 -2  20 18 o 163.5031 54.49076 -0.5693355     1.070047  -0.3889661     1.254681  -1.050490      2.049245  151.9025 70.07382 175.1038 83.46635 -23.20137      108.9815 
1 1 1 -2  20 19 o 211.7463 62.04731 1.423699       1.093242  1.718267       1.299821  0.7115442      2.021058  223.0013 84.21953 200.4913 91.14024 22.51006       124.0946 
1 1 1 -2  21 1  o 416.8881 45.54854 4.602440       0.9301538 4.488389       1.313858  4.717041       1.317020  411.3661 65.26571 422.4101 63.55364 -11.04395      91.09708 
1 1 1 -2  21 2  o 207.1864 44.19048 0.6978567      0.6294401 -0.5377490     0.8493158 2.203476       0.9375336 128.4965 58.67080 285.8764 66.09789 -157.3799      88.38097 
1 1 1 -2  21 3  o 712.9578 36.36468 13.14108       1.303596  13.26969       1.836127  13.01036       1.851090  716.6323 50.94022 709.2833 51.91006 7.348938       72.72936 
1 1 1 -2  21 4  o 1254.904 36.19612 40.54201       2.298997  39.35023       3.242582  41.74665       3.260036  1236.101 51.81474 1273.706 50.55561 -37.60559      72.39224 
1 1 1 -2  21 5  o 220.8164 57.46270 1.076249       0.8787842 1.624462       1.002231  -0.7469873     1.827739  246.9166 74.19021 194.7163 87.77051 52.20029       114.9254 
1 1 1 -2  21 6  o 1087.006 48.12445 31.66794       2.380044  29.57691       4.338190  32.56833       2.846712  1050.723 82.20770 1123.289 50.05742 -72.56592      96.24891 
1 1 1 -2  21 7  o 611.9764 36.60790 9.787883       1.121442  9.197847       1.591315  10.37004       1.580656  592.8520 53.59795 631.1008 49.87798 -38.24878      73.21580 
1 1 1 -2  21 8  o 312.5037 63.19196 2.836014       1.048048  3.175617       1.301422  2.209396       1.767803  337.2860 77.80051 287.7214 99.59908 49.56461       126.3839 
1 1 1 -2  21 9  o 408.0690 62.08763 4.559639       1.167252  4.216277       1.397342  5.352439       2.123289  389.7344 73.51479 426.4037 100.0753 -36.66928      124.1753 
1 1 1 -2  21 10 o 394.6856 75.03432 4.507927       1.521541  6.272002       2.456207  3.409451       1.938214  452.6010 108.5839 336.7702 103.5863 115.8308       150.0686 
1 1 1 -2  21 11 o 320.8118 63.58786 3.060808       1.071644  3.050510       1.594071  3.069301       1.447566  319.2411 92.97265 322.3825 86.77415 -3.141449      127.1757 
1 1 1 -2  21 12 o 227.6894 57.23662 1.340082       0.8928928 2.002428       1.149073  0.3306221      1.418567  262.4950 79.56772 192.8837 82.29884 69.61125       114.4732 
1 1 1 -2  21 13 o 379.0636 69.94576 4.324129       1.328883  5.824962       2.197601  3.458991       1.668497  426.0794 103.0120 332.0479 94.64757 94.03156       139.8915 
1 1 1 -2  21 14 o 316.4193 74.34163 3.309526       1.366959  3.828888       2.182796  2.974422       1.753347  331.5050 110.7524 301.3335 99.19992 30.17151       148.6833 
1 1 1 -2  21 15 o 224.6015 88.87434 1.389326       1.498690  1.389326       1.498690  0.000000       0.000000  224.6015 88.87434 ?        ?        ?              ?        
1 1 1 -2  21 16 o 278.8357 78.75847 2.428669       1.890145  5.612461       2.765810  -0.3612284     2.589072  352.4974 124.4107 205.1739 96.61038 147.3234       157.5169 
1 1 1 -2  21 17 o 454.7661 73.52091 8.093189       1.489896  8.337990       1.699156  7.278903       3.098960  527.4580 65.00555 382.0742 131.8923 145.3839       147.0418 
1 1 1 -2  21 18 o 253.7976 68.56612 2.349440       1.199363  1.667284       1.509799  3.516195       1.974544  221.4906 88.69329 286.1047 104.5885 -64.61411      137.1322 
1 1 1 -2  22 1  o 212.6272 53.89989 0.9758978      0.7585155 1.484710       1.088856  0.4961967      1.057248  239.6059 78.14003 185.6484 74.26258 53.95752       107.7998 
1 1 1 -2  22 2  o 306.4424 48.74020 2.667380       0.7531237 3.529139       1.016464  1.618494       1.121407  364.7895 56.89482 248.0952 79.15432 116.6943       97.48039 
1 1 1 -2  22 3  o 129.1694 41.79996 -0.5603552     0.6134141 -0.6379753     0.8455378 -0.4741128     0.8912644 124.4367 57.44609 133.9022 60.73625 -9.465500      83.59991 
1 1 1 -2  22 4  o 820.1883 36.56883 17.49449       1.509485  17.50917       2.179090  17.48094       2.092980  820.0748 52.76546 820.3018 50.64507 -0.2270508     73.13766 
1 1 1 -2  22 5  o 337.4022 53.97729 3.149230       0.9006637 2.925305       1.252210  3.389238       1.296401  324.5040 77.32046 350.3003 75.33749 -25.79623      107.9546 
1 1 1 -2  22 6  o 418.2828 66.41596 5.840369       1.243096  3.130799       2.582393  6.657603       1.418225  335.4905 120.0204 501.0750 56.91585 -165.5846      132.8319 
1 1 1 -2  22 7  o 417.4750 61.31583 5.386275       1.106723  4.007845       2.188787  5.859740       1.282788  365.5342 109.5956 469.4158 55.02126 -103.8816      122.6317 
1 1 1 -2  22 8  o 563.4894 51.05184 8.669267       1.372994  8.451488       1.726770  9.043633       2.263992  559.6675 61.98335 567.3114 81.13708 -7.643921      102.1037 
1 1 1 -2  22 9  o 583.1008 51.46797 9.114156       1.362981  10.34094       2.525755  8.610141       1.618934  600.4180 85.50675 565.7837 57.30972 34.63428       102.9359 
1 1 1 -2  22 10 o 629.4668 62.05051 11.55164       1.917877  12.67023       2.769641  10.52112       2.658356  661.8525 84.59196 597.0811 90.80343 64.77142       124.1010 
1 1 1 -2  22 11 o 166.4675 79.77410 -2.011551      1.926101  0.000000       0.000000  -2.011551      1.926101  ?        ?        166.4675 79.77410 ?              ?        
1 1 1 -2  22 12 o 416.4037 68.87959 5.521013       1.293482  5.551266       1.497071  5.431921       2.569095  440.5846 69.41381 392.2229 118.9929 48.36166       137.7592 
1 1 1 -2  22 13 o 243.4767 63.46201 1.798907       1.057902  2.260625       1.185919  -0.6137398E-05 2.340838  271.1195 80.53188 215.8340 98.10365 55.28548       126.9240 
1 1 1 -2  22 14 o 303.6002 63.88238 3.133765       1.052252  3.313266       1.320172  2.821081       1.742412  322.7577 80.93839 284.4427 98.85753 38.31500       127.7648 
1 1 1 -2  22 15 o 301.3436 94.60229 3.284299       1.607296  3.284299       1.607296  0.000000       0.000000  301.3436 94.60229 ?        ?        ?              ?        
1 1 1 -2  22 16 o 388.2145 93.32731 7.656698       2.186362  8.082092       3.236785  7.299737       2.965024  392.3480 134.8301 384.0810 129.0767 8.266998       186.6546 
1 1 1 -2  22 17 o 231.1556 68.44843 1.888872       1.248121  1.935683       1.398507  1.705658       2.766753  232.3814 87.44762 229.9299 105.3264 2.451492       136.8969 
1 1 1 -2  23 1  o 612.5111 45.21820 9.901513       1.333365  9.600588       1.672292  10.42670       2.209217  603.6275 55.33768 621.3947 71.52959 -17.76715      90.43639 
1 1 1 -2  23 2  o 705.1530 44.47737 13.44858       1.492570  12.42982       2.463651  14.03933       1.876057  677.7050 72.95451 732.6009 50.89779 -54.89587      88.95473 
1 1 1 -2  23 3  f 542.6106 62.85787 9.291754       1.429964  10.76012       1.719433  5.998274       2.575109  639.2438 53.62491 445.9774 113.7050 193.2664       125.7157 
1 1 1 -2  23 4  o 201.9798 57.28562 0.7152691      0.8624892 1.078697       0.9844869 -0.4845430     1.788781  209.5577 74.19685 194.4019 87.30061 15.15582       114.5712 
1 1 1 -2  23 5  o 666.7170 59.41627 13.57593       1.654872  9.782321       2.984422  15.26025       1.988595  572.5926 106.8821 760.8414 51.93634 -188.2488      118.8325 
1 1 1 -2  23 6  f 212.1805 56.33289 1.029998       0.8200805 0.9398721      1.142157  1.125905       1.178222  206.8887 78.75047 217.4723 80.57257 -10.58359      112.6658 
1 1 1 -2  23 7  o 286.3009 60.08626 2.416752       0.9394659 2.679164       1.229210  2.048168       1.456808  304.1103 79.09290 268.4915 90.47511 35.61874       120.1725 
1 1 1 -2  23 8  o 249.9890 65.32412 1.626438       1.075543  1.430552       1.384929  1.924111       1.707246  235.7513 87.35293 264.2267 97.15158 -28.47542      130.6482 
1 1 1 -2  23 9  o 752.1559 48.09623 14.81504       1.644492  18.21143       3.160843  13.55449       1.925631  795.3380 79.56714 708.9739 54.05607 86.36414       96.19245 
1 1 1 -2  23 10 o 314.0178 80.55329 3.238541       1.653347  3.766605       2.424287  2.779358       2.260652  331.7222 116.5329 296.3135 111.2449 35.40872       161.1066 
1 1 1 -2  23 11 o 192.7740 57.27767 0.5179319      0.9521015 0.2015384      1.317019  0.8643031      1.378000  179.5534 77.97378 205.9946 83.92268 -26.44122      114.5553 
1 1 1 -2  23 12 o 283.1448 62.81282 2.578247       1.014644  3.033094       1.437612  2.126786       1.432249  306.7464 87.99311 259.5432 89.66055 47.20316       125.6256 
1 1 1 -2  23 13 o 270.4814 64.81828 2.363978       1.035170  1.886224       1.309513  3.159864       1.690180  242.4612 85.60210 298.5015 97.35458 -56.04030      129.6366 
1 1 1 -2  23 14 o 225.0372 62.08367 1.576546       0.9945853 1.351115       1.255233  1.956820       1.630293  211.3133 82.00517 238.7611 93.23454 -27.44774      124.1673 
1 1 1 -2  23 15 o 337.7875 77.44953 4.387629       1.378552  3.650890       1.603117  6.478644       2.700769  311.1469 93.90780 364.4280 123.1870 -53.28104      154.8991 
1 1 1 -2  23 16 f 154.3610 53.38442 -1.787561      1.369346  -1.016875      1.659772  -3.430233      2.423177  154.2946 73.97053 154.4273 76.99316 -0.1326599     106.7688 
1 1 1 -2  23 17 o 210.5309 60.79105 1.501725       1.298601  2.781471       1.463632  -3.232502      2.815104  259.0449 90.57211 162.0170 81.11043 97.02797       121.5821 
1 1 1 -2  24 1  o 250.4669 67.45187 1.472170       1.151380  1.778312       1.902004  1.295096       1.446533  266.5923 101.5885 234.3416 88.76255 32.25072       134.9037 
1 1 1 -2  24 2  o 591.6532 47.75020 9.347809       1.370097  8.546103       1.728054  10.70482       2.248236  561.6190 61.79843 621.6874 72.80990 -60.06842      95.50040 
1 1 1 -2  24 3  o 706.8275 38.93912 13.34350       1.377813  14.68023       1.970999  12.06607       1.926795  743.1437 52.73013 670.5114 57.31103 72.63232       77.87824 
1 1 1 -2  24 4  o 550.3180 64.11639 9.216221       1.639414  10.49751       2.123368  7.325138       2.579630  615.9060 69.30062 484.7300 107.8938 131.1760       128.2328 
1 1 1 -2  24 5  o 188.8707 78.58566 0.4612304      1.242447  0.000000       0.000000  0.4612304      1.242447  ?        ?        188.8707 78.58566 ?              ?        
1 1 1 -2  24 6  o 351.7099 67.58752 3.825047       1.217214  3.817983       1.555586  3.836204       1.954811  356.2386 87.00249 347.1812 103.4546 9.057373       135.1750 
1 1 1 -2  24 7  o 270.0081 64.36138 2.144763       1.018521  2.042459       1.283497  2.318748       1.673814  262.6440 84.77551 277.3722 96.86416 -14.72821      128.7228 
1 1 1 -2  24 8  o 423.5794 57.56794 5.207245       1.161725  4.698333       1.467056  6.062953       1.902339  400.7069 75.07500 446.4520 87.29270 -45.74509      115.1359 
1 1 1 -2  24 9  o 420.9964 67.78444 5.366622       1.430905  8.359454       2.293159  3.458298       1.831129  519.2513 90.52254 322.7415 100.9187 196.5098       135.5689 
1 1 1 -2  24 10 o 206.2594 58.86921 0.8049209      0.9413685 1.607495       1.509891  0.2945711      1.204029  237.2468 90.48750 175.2719 75.32828 61.97491       117.7384 
1 1 1 -2  24 11 o 303.3607 65.85387 3.125566       1.121132  2.686913       1.624031  3.524945       1.549626  281.2885 95.52315 325.4330 90.67664 -44.14453      131.7077 
1 1 1 -2  24 12 o 283.9664 67.08428 2.883107       1.135603  3.158843       1.626348  2.620760       1.586370  296.2716 95.40785 271.6611 94.33209 24.61050       134.1686 
1 1 1 -2  24 13 f 165.0068 52.58559 0.8666343E-01  0.9032593 0.6315824E-01  1.144439  0.1254947      1.470963  156.8120 70.16540 173.2016 78.34406 -16.38960      105.1712 
1 1 1 -2  24 14 o 222.2307 64.23975 1.604399       1.032172  1.453426       1.178843  2.100380       2.136680  210.0214 79.99030 234.4399 100.5412 -24.41847      128.4795 
1 1 1 -2  24 15 o 286.7928 115.4426 4.448025       2.572398  0.000000       0.000000  4.448025       2.572398  ?        ?        286.7928 115.4426 ?              ?        
1 1 1 -2  24 16 o 173.7128 58.22137 -0.3777796E-01 1.343984  -0.1612505     1.733028  0.1485297      2.128804  166.1629 78.48318 181.2627 86.01918 -15.09984      116.4427 
1 1 1 -2  25 1  f 269.5976 71.40385 1.472824       1.048768  1.024488       1.151837  3.646989       2.536502  207.8609 79.09236 331.3342 118.9052 -123.4733      142.8077 
1 1 1 -2  25 2  f 474.5499 69.65502 6.372910       1.623664  6.372910       1.623664  0.000000       0.000000  474.5499 69.65502 ?        ?        ?              ?        
1 1 1 -2  25 3  o 204.0177 84.30859 0.7010908      1.416014  0.000000       0.000000  0.7010908      1.416014  ?        ?        204.0177 84.30859 ?              ?        
1 1 1 -2  25 4  o 188.2237 61.71276 -0.4984852     1.249556  -2.442595      2.766018  0.8928432E-06  1.400623  197.1748 94.78076 179.2725 79.05989 17.90227       123.4255 
1 1 1 -2  25 5  f 188.5188 58.87686 0.4687065E-01  0.9078381 -0.1624610     1.022247  0.8281657      1.974904  150.1048 66.79973 226.9329 96.97285 -76.82814      117.7537 
1 1 1 -2  25 6  o 526.3028 57.52352 8.266472       1.406680  8.260907       1.748803  8.276672       2.367623  540.0254 65.29095 512.5802 94.72546 27.44519       115.0470 
1 1 1 -2  25 7  o 127.3635 43.37898 -1.178117      0.7494326 -1.069004      0.8941582 -1.435750      1.373970  113.4967 54.38010 141.2304 67.59991 -27.73372      86.75796 
1 1 1 -2  25 8  o 219.0778 58.38732 1.281730       0.8675817 1.622023       1.379290  1.058952       1.116003  235.1045 87.16270 203.0511 77.71088 32.05341       116.7746 
1 1 1 -2  25 9  o 321.2376 72.95284 3.713603       1.358176  4.096892       1.863965  3.279769       1.983063  341.2018 100.8708 301.2735 105.4208 39.92825       145.9057 
1 1 1 -2  25 10 o 233.0767 65.57874 1.589381       1.093216  1.996442       1.975248  1.409633       1.312577  247.5357 100.6197 218.6176 84.13056 28.91805       131.1575 
1 1 1 -2  25 11 o 219.6829 62.02732 1.397511       1.068432  2.235874       1.568424  0.6716117      1.459438  249.5389 92.86103 189.8269 82.25803 59.71199       124.0546 
1 1 1 -2  25 12 o 219.2798 63.71058 1.624483       1.137801  1.828349       1.608640  1.420388       1.609546  226.4228 91.23833 212.1369 88.94783 14.28595       127.4212 
1 1 1 -2  25 13 f 356.7325 67.42405 4.976847       1.251130  4.204769       1.711866  5.862133       1.833078  321.2368 97.06036 392.2283 93.61248 -70.99152      134.8481 
1 1 1 -2  25 14 o 169.2101 55.98097 0.3524065E-01  1.093051  0.4832355E-01  1.280099  0.2731801E-04  2.100125  157.0889 71.84311 181.3313 85.87226 -24.24234      111.9619 
1 1 1 -2  25 15 o 222.0224 68.69867 2.349105       1.481130  2.547121       1.720224  1.781583       2.912237  234.2375 94.36289 209.8073 99.86829 24.43018       137.3973 
1 1 1 -2  26 1  o 565.0641 52.48206 9.386203       1.428415  9.194045       2.242493  9.517402       1.852960  550.7874 82.99635 579.3408 64.25786 -28.55334      104.9641 
1 1 1 -2  26 2  o 520.3674 54.33384 7.735435       1.358268  6.563949       1.716591  9.697026       2.221275  471.5130 74.37537 569.2217 79.22732 -97.70877      108.6677 
1 1 1 -2  26 3  o 202.8526 77.60028 1.041703       1.112518  1.041703       1.112518  0.000000       0.000000  202.8526 77.60028 ?        ?        ?              ?        
1 1 1 -2  26 4  o 333.2755 117.8704 4.204414       2.483892  4.204414       2.483892  0.000000       0.000000  333.2755 117.8704 ?        ?        ?              ?        
1 1 1 -2  26 5  o 255.1280 84.43483 2.045727       1.269630  2.045727       1.269630  0.000000       0.000000  255.1280 84.43483 ?        ?        ?              ?        
1 1 1 -2  26 6  o 217.4549 67.77244 0.5730262      1.498226  -0.5121722     2.217280  1.484795       2.032396  196.8994 91.63000 238.0104 99.88172 -41.11096      135.5449 
1 1 1 -2  26 7  o 286.0451 72.05775 2.877410       1.226545  2.794768       2.675298  2.899404       1.380142  276.3591 115.1796 295.7311 86.61951 -19.37204      144.1155 
1 1 1 -2  26 8  o 183.2248 52.93871 0.3078465      0.8522580 1.682727       1.280763  -0.7847405     1.141732  230.1735 84.21964 136.2760 64.16447 93.89755       105.8774 
1 1 1 -2  26 9  f 182.2042 56.76152 0.3389763      1.018536  -0.1701862     1.357190  0.9955098      1.541136  161.8344 73.99905 202.5740 86.09076 -40.73956      113.5230 
1 1 1 -2  26 10 o 220.9559 65.14484 1.447207       1.083177  2.511550       2.137756  1.079570       1.256398  246.9534 102.9450 194.9584 79.86061 51.99500       130.2897 
1 1 1 -2  26 11 o 188.6877 58.46635 0.8152751      1.065528  1.297938       1.589931  0.4217528      1.435625  203.2241 86.92982 174.1513 78.20782 29.07278       116.9327 
1 1 1 -2  26 12 o 189.5276 58.45894 0.9852253      1.058181  1.246158       1.522223  0.7412175      1.472027  197.5470 84.79464 181.5081 80.49634 16.03883       116.9179 
1 1 1 -2  26 13 o 257.5606 68.87458 3.397743       1.469708  1.041393       2.691284  4.399090       1.754413  201.3701 95.89423 313.7512 98.88947 -112.3810      137.7492 
1 1 1 -2  26 14 o 198.3994 62.74086 1.060516       1.190150  0.7497022E-01  1.426128  3.321644       2.160144  156.9132 73.17678 239.8855 101.9354 -82.97227      125.4817 
1 1 1 -2  27 1  o 226.9676 61.89812 1.465125       1.051202  0.6795983      1.546525  2.139732       1.433184  198.9021 85.42513 255.0331 89.59943 -56.13097      123.7962 
1 1 1 -2  27 2  o 286.4878 65.29830 2.824410       1.075266  2.680722       1.686766  2.922771       1.395592  276.9077 97.20799 296.0680 87.21284 -19.16031      130.5966 
1 1 1 -2  27 3  o 239.0399 63.98665 1.816728       1.187571  2.620296       1.398869  -0.2569546     2.247175  278.7707 88.34934 199.3092 92.58273 79.46144       127.9733 
1 1 1 -2  27 4  o 142.5249 70.22124 -2.719264      1.801650  0.000000       0.000000  -2.719264      1.801650  ?        ?        142.5249 70.22124 ?              ?        
1 1 1 -2  27 5  o 234.4300 59.05157 1.552208       1.001596  2.987077       1.428306  0.1639322      1.404924  293.8690 88.62804 174.9910 78.06036 118.8780       118.1031 
1 1 1 -2  27 6  o 186.9875 59.86153 -0.6350073E-01 1.109999  -0.7198719     1.325402  1.478103       2.031230  147.4855 69.34676 226.4896 97.59427 -79.00404      119.7231 
1 1 1 -2  27 7  o 155.9684 51.19389 -0.3509352     0.9581810 0.7779479E-01  1.161087  -1.266310      1.696571  157.8463 70.64779 154.0905 74.10902 3.755859       102.3878 
1 1 1 -2  27 8  o 181.5705 57.98596 0.4184841      1.134404  0.4985267      1.558180  0.3282124      1.654751  182.2866 81.69603 180.8544 82.31187 1.432236       115.9719 
1 1 1 -2  27 9  o 164.6697 52.15826 -0.1574424     1.060820  -3.819335      2.028459  1.221095       1.244580  133.9623 67.31020 195.3771 79.69486 -61.41483      104.3165 
1 1 1 -2  27 10 o 212.9257 64.32351 1.771823       1.184041  1.315446       2.585517  1.892933       1.331914  205.8397 96.80744 220.0117 84.72530 -14.17195      128.6470 
1 1 1 -2  27 11 o 162.1145 53.06387 0.1365888      1.026932  0.3502686      1.510998  -0.4683837E-01 1.399954  168.4429 77.40904 155.7860 72.60122 12.65692       106.1277 
1 1 1 -2  27 12 o 195.9562 59.71494 1.233049       1.086399  2.474902       1.679998  0.3404790      1.424277  228.2567 92.79070 163.6556 75.18899 64.60112       119.4299 
1 1 1 -2  27 13 o 226.4020 66.18271 2.734974       1.233959  2.846361       1.779846  2.631883       1.712279  228.8416 94.54033 223.9624 92.64303 4.879150       132.3654 
1 1 1 -2  28 1  o 269.7407 61.10327 2.618382       0.9990250 3.391184       1.366751  1.731793       1.463917  312.7324 84.37628 226.7490 88.40295 85.98344       122.2065 
1 1 1 -2  28 2  o 232.8629 71.24174 1.001276       1.347668  -0.5958970E-01 1.548846  4.307783       2.734405  171.3718 78.61362 294.3541 118.8337 -122.9824      142.4835 
1 1 1 -2  28 3  o 232.8240 70.32694 0.2361560      1.220333  -0.9969042     1.355590  5.506601       2.802592  141.4591 67.55514 324.1889 123.3686 -182.7297      140.6539 
1 1 1 -2  28 4  o 134.1411 45.48626 -1.143814      0.8942411 -1.730327      1.251213  -0.5314180     1.278525  122.0124 59.79420 146.2699 68.56131 -24.25750      90.97252 
1 1 1 -2  28 5  o 297.6035 67.23134 3.270199       1.220087  5.708882       1.951704  1.705797       1.563185  376.3498 100.5285 218.8573 89.29856 157.4924       134.4627 
1 1 1 -2  28 6  o 167.9248 56.40507 -0.4282097     1.309209  0.7606677E-01  1.692243  -1.180038      2.066273  172.5267 80.20832 163.3229 79.32687 9.203796       112.8101 
1 1 1 -2  28 7  o 304.9282 61.08178 3.711017       1.168076  1.537379       1.620138  6.063921       1.685624  205.1906 87.76088 404.6657 84.98214 -199.4751      122.1636 
1 1 1 -2  28 8  o 170.5743 55.28672 0.2213346      1.050579  -0.5290910     1.336888  1.433030       1.698782  142.6235 67.82428 198.5251 87.32898 -55.90169      110.5734 
1 1 1 -2  28 9  o 195.6896 61.74630 1.384948       1.172502  1.616011       2.253572  1.299183       1.372965  200.9858 93.13529 190.3935 81.09401 10.59235       123.4926 
1 1 1 -2  28 10 o 217.0760 66.01035 2.331972       1.300987  2.251115       1.690696  2.449355       2.037093  217.1200 91.10629 217.0321 95.54637 0.8789063E-01  132.0207 
1 1 1 -2  28 11 o 165.0215 55.07042 -0.8048710E-01 1.328723  1.486319       1.656612  -2.906434      2.224821  190.3657 84.85294 139.6772 70.22098 50.68848       110.1408 
1 1 1 -2  28 12 o 193.5867 61.49221 1.962036       1.358729  0.5044727      2.455303  2.605422       1.631274  171.0914 83.82822 216.0820 89.98889 -44.99062      122.9844 
1 1 1 -2  29 1  o 165.9501 53.24254 0.2906723      0.9861922 0.7205567      1.314959  -0.2619671     1.490930  175.6926 77.06935 156.2075 73.48052 19.48512       106.4851 
1 1 1 -2  29 2  o 193.5007 63.25009 -0.1618966     1.133425  -1.210894      1.267982  4.008626       2.528256  127.8148 62.09451 259.1866 110.2115 -131.3719      126.5002 
1 1 1 -2  29 3  o 127.8560 60.96266 -0.6850356     1.094876  0.000000       0.000000  -0.6850356     1.094876  ?        ?        127.8560 60.96266 ?              ?        
1 1 1 -2  29 4  o 169.6477 54.28080 0.4905343      0.9988666 0.7538418E-01  1.354346  0.9856936      1.479106  156.1104 72.29116 183.1850 80.99141 -27.07462      108.5616 
1 1 1 -2  29 5  o 205.1106 62.19350 1.504158       1.206643  3.077730       1.803396  0.2286682      1.623627  244.4972 97.25544 165.7241 77.54680 78.77316       124.3870 
1 1 1 -2  29 6  o 215.3056 64.77802 2.263089       1.275164  1.585908       1.933516  2.784347       1.696373  196.3829 89.22321 234.2284 93.93607 -37.84550      129.5560 
1 1 1 -2  29 7  o 187.6662 59.91374 1.249990       1.248019  0.3360350      1.824197  2.054179       1.711152  168.3071 79.79985 207.0253 89.39021 -38.71822      119.8275 
1 1 1 -2  29 8  o 214.7478 63.21198 1.917343       1.173229  0.5506734      1.507138  4.019217       1.869065  165.2645 76.43495 264.2311 100.7011 -98.96661      126.4240 
1 1 1 -2  29 9  o 182.1123 58.80700 1.293915       1.231631  -0.9398109E-01 2.701443  1.658102       1.383819  170.6267 84.42062 193.5980 81.89145 -22.97133      117.6140 
1 1 1 -2  29 10 o 173.2559 55.46726 0.9801183      1.081406  2.049551       1.546330  -0.4356902E-01 1.512897  198.4384 85.32830 148.0734 70.89111 50.36504       110.9345 
1 1 1 -2  29 11 o 172.2843 56.84050 1.392853       1.211512  1.691175       1.816106  1.153643       1.626247  177.4726 82.70217 167.0960 77.99820 10.37666       113.6810 
1 1 1 -2  30 1  o 159.2334 79.90411 -1.804814      2.810125  0.000000       0.000000  -1.804814      2.810125  ?        ?        159.2334 79.90411 ?              ?        
1 1 1 -2  30 2  o 178.9049 78.89173 1.180518       1.394408  1.180518       1.394408  0.000000       0.000000  178.9049 78.89173 ?        ?        ?              ?        
1 1 1 -2  30 3  o 197.3644 64.10123 1.849485       1.299079  3.011706       3.088403  1.599649       1.431916  203.6140 98.42963 191.1148 82.14306 12.49924       128.2025 
1 1 1 -2  30 4  o 203.0009 59.46459 1.969166       1.022793  1.486225       1.504020  2.384642       1.395018  186.0455 81.99265 219.9564 86.14730 -33.91096      118.9292 
1 1 1 -2  30 5  o 160.2966 55.27340 0.5514548E-01  1.266649  -0.5453686E-01 1.434984  0.4420907      2.695276  147.3748 70.13743 173.2183 85.44786 -25.84344      110.5468 
1 1 1 -2  30 6  o 148.5454 50.65965 -0.3389907     1.142686  -1.219533      1.583943  0.6166324      1.650091  133.1195 65.63668 163.9714 77.18438 -30.85191      101.3193 
1 1 1 -2  30 7  f 180.5698 57.14887 1.291039       1.151436  2.497199       1.576886  -0.8661973E-01 1.685266  210.6468 88.16382 150.4928 72.74005 60.15398       114.2977 
1 1 1 -2  30 8  o 148.1555 49.95690 0.1910139      1.040109  0.1850673      1.491960  0.1966366      1.450778  148.4691 70.89416 147.8419 70.40445 0.6271362      99.91380 
1 1 1 -2  30 9  o 161.5964 54.38433 0.7329840      1.105756  -0.5056043E-01 1.335507  2.441070       1.971828  137.0772 65.88416 186.1156 86.54421 -49.03842      108.7687 
1 1 1 -2  31 1  o 144.0895 68.69547 0.7505171E-01  1.389462  0.7505171E-01  1.389462  0.000000       0.000000  144.0895 68.69547 ?        ?        ?              ?        
1 1 1 -2  31 2  o 163.3179 77.41428 0.8536685      1.714602  0.000000       0.000000  0.8536685      1.714602  ?        ?        163.3179 77.41428 ?              ?        
1 1 1 -2  31 3  o 163.8423 52.49696 0.9222332      1.009443  1.689293       1.290137  -0.2886776     1.620978  185.1262 78.72439 142.5584 69.47081 42.56773       104.9939 
1 1 1 -2  31 4  f 157.1621 51.65805 0.7144685      1.018003  0.5429557E-02  1.516863  1.295547       1.373183  143.9791 69.44695 170.3450 76.49404 -26.36595      103.3161 
1 1 1 -2  31 5  o 158.4349 53.97865 0.7573852      1.285900  0.6790497      1.904234  0.8230512      1.743457  157.8736 76.55854 158.9963 76.11548 -1.122696      107.9573 
1 1 1 -2  31 6  o 184.1941 59.07592 2.088366       1.240835  0.7915455      1.739533  3.431751       1.770488  155.5379 74.86248 212.8504 91.40823 -57.31248      118.1518 
1 1 1 -2  31 7  o 163.2917 53.79539 1.187577       1.288603  2.702681       1.539117  -2.363937      2.356443  196.0538 84.71504 130.5297 66.32601 65.52408       107.5908 
1 1 1 -2  32 1  o 128.8152 46.54232 -1.332559      1.208967  -1.539538      1.316223  -0.2155971     3.057639  110.4296 55.31046 147.2008 74.86990 -36.77127      93.08463 
1 1 1 -2  32 2  o 108.4564 54.09257 -1.308277      1.200520  0.000000       0.000000  -1.308277      1.200520  ?        ?        108.4564 54.09257 ?              ?        
1 1 1 -2  32 3  o 149.2540 50.62308 0.9227344      1.122795  1.533727       1.522202  0.1936183      1.662848  160.1909 74.99834 138.3170 68.01495 21.87386       101.2462 
1 1 1 -2  32 4  o 147.2908 49.59316 0.7917114      1.071753  -0.6417574     1.593202  1.976597       1.448488  125.5366 62.56356 169.0452 76.96575 -43.50860      99.18632 
1 1 1 -1  0  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -1  0  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -1  0  3  o 20242.93 309.6150 10420.69       448.2653  10420.69       448.2653  10420.69       448.2653  20242.93 437.8617 20242.93 437.8617 -0.000000      0.000000 
1 1 1 -1  0  4  o 11728.83 180.4538 3492.157       151.3753  3492.157       151.3753  3492.157       151.3753  11728.83 255.2001 11728.83 255.2001 0.000000       0.000000 
1 1 1 -1  0  5  f 2734.251 70.89628 190.0894       13.83673  190.0894       13.83673  190.0894       13.83673  2734.251 100.2625 2734.251 100.2625 0.000000       0.000000 
1 1 1 -1  0  6  o 3032.415 53.72832 233.4552       11.64861  233.4552       11.64861  233.4552       11.64861  3032.415 75.98331 3032.415 75.98331 0.000000       0.000000 
1 1 1 -1  0  7  o ?        ?        134.4839       7.373188  134.4839       7.373188  134.4839       7.373188  ?        ?        ?        ?        -0.000000      0.000000 
1 1 1 -1  0  8  o 260.5006 43.10947 1.978058       0.6988303 1.978058       0.6988303 1.978058       0.6988303 260.5006 60.96600 260.5006 60.96600 0.000000       0.000000 
1 1 1 -1  0  9  o 221.1932 49.88897 1.565837       0.6960666 1.565837       0.6960666 1.565837       0.6960666 221.1932 70.55365 221.1932 70.55365 0.000000       0.000000 
1 1 1 -1  0  10 o 3824.475 92.29372 374.4675       25.20545  374.4675       25.20545  374.4675       25.20545  3824.475 130.5230 3824.475 130.5230 -0.000000      0.000000 
1 1 1 -1  0  11 o 1744.816 39.28836 77.50357       4.896814  77.50357       4.896814  77.50357       4.896814  1744.816 55.56213 1744.816 55.56213 -0.000000      0.000000 
1 1 1 -1  0  12 o 2268.275 44.99160 130.9519       7.293774  130.9519       7.293774  130.9519       7.293774  2268.275 63.62774 2268.275 63.62774 0.000000       0.000000 
1 1 1 -1  0  13 o 848.3326 34.48712 18.43068       2.078859  18.43068       2.078859  18.43068       2.078859  848.3326 48.77216 848.3326 48.77216 -0.000000      0.000000 
1 1 1 -1  0  14 o 1631.973 54.98602 68.33543       6.391618  68.33543       6.391618  68.33543       6.391618  1631.973 77.76198 1631.973 77.76198 0.000000       0.000000 
1 1 1 -1  0  15 o 375.3423 82.90598 4.531934       1.954029  4.531934       1.954029  4.531934       1.954029  375.3423 117.2468 375.3423 117.2468 -0.000000      0.000000 
1 1 1 -1  0  16 o 1079.043 36.28549 29.83910       2.788857  29.83910       2.788857  29.83910       2.788857  1079.043 51.31543 1079.043 51.31543 0.000000       0.000000 
1 1 1 -1  0  17 o 775.6432 35.81071 15.54576       1.969272  15.54576       1.969272  15.54576       1.969272  775.6432 50.64400 775.6432 50.64400 -0.000000      0.000000 
1 1 1 -1  0  18 o 436.6779 49.66607 5.285193       1.432335  5.285193       1.432335  5.285193       1.432335  436.6779 70.23843 436.6779 70.23843 0.000000       0.000000 
1 1 1 -1  0  19 o 274.0316 87.83910 2.987756       1.859734  2.987756       1.859734  2.987756       1.859734  274.0316 124.2233 274.0316 124.2233 -0.000000      0.000000 
1 1 1 -1  0  20 o 177.3982 75.56513 1.037704       1.743972  1.037704       1.743972  1.037704       1.743972  177.3982 106.8652 177.3982 106.8652 0.000000       0.000000 
1 1 1 -1  0  21 o 1164.857 38.07827 35.76007       3.160305  35.76007       3.160305  35.76007       3.160305  1164.857 53.85081 1164.857 53.85081 -0.000000      0.000000 
1 1 1 -1  0  22 o 169.4819 69.19659 1.211971       1.357107  1.211971       1.357107  1.211971       1.357107  169.4819 97.85875 169.4819 97.85875 0.000000       0.000000 
1 1 1 -1  0  23 o 115.0992 58.29096 -2.522301      2.233952  -2.522301      2.233952  -2.522301      2.233952  115.0992 82.43587 115.0992 82.43587 0.000000       0.000000 
1 1 1 -1  0  24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -1  1  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -1  1  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -1  1  3  o 1439.490 35.11109 52.46054       2.558531  51.54932       3.616632  53.37344       3.619987  1426.975 50.06157 1452.005 49.24424 -25.02991      70.22218 
1 1 1 -1  1  4  o 2077.600 51.61589 109.9552       5.102602  111.2692       6.249381  107.3271       8.837977  2096.418 58.88103 2058.781 84.79285 37.63794       103.2318 
1 1 1 -1  1  5  o 2470.973 57.94805 157.0421       6.780804  147.7440       11.73667  161.7007       8.307596  2414.962 95.99555 2526.983 64.93657 -112.0215      115.8961 
1 1 1 -1  1  6  o 1839.033 39.37179 85.72305       3.665271  87.29721       5.185321  84.15113       5.181633  1855.927 55.18627 1822.138 56.16964 33.78918       78.74358 
1 1 1 -1  1  7  o ?        ?        81.22262       3.519295  84.59620       4.980487  77.85838       4.973590  ?        ?        ?        ?        ?              ?        
1 1 1 -1  1  8  o 1193.039 33.54998 36.11534       2.026407  36.29061       2.865769  35.94007       2.865776  1195.941 47.33124 1190.137 47.56216 5.803711       67.09997 
1 1 1 -1  1  9  o 2143.215 52.95853 116.9791       5.409693  117.6953       6.627282  115.5491       9.364810  2154.161 60.76782 2132.269 86.75078 21.89209       105.9171 
1 1 1 -1  1  10 o 1754.135 47.57188 78.11842       3.982404  78.36112       6.902632  77.99731       4.875697  1755.093 77.68387 1753.177 54.93225 1.916748       95.14376 
1 1 1 -1  1  11 o 1164.037 34.18803 34.41739       2.014716  34.20370       2.852649  34.63007       2.845841  1160.415 48.55694 1167.660 48.14051 -7.244507      68.37606 
1 1 1 -1  1  12 o 1488.443 36.87262 56.28127       2.777507  54.41501       3.923187  58.15670       3.932808  1463.623 52.94515 1513.264 51.33391 -49.64148      73.74523 
1 1 1 -1  1  13 o 920.3558 33.60320 21.55062       1.560063  20.91883       2.185405  22.20712       2.227729  906.5419 47.78561 934.1696 47.25713 -27.62769      67.20640 
1 1 1 -1  1  14 o 493.2113 47.39251 6.347625       1.096976  6.425297       1.366131  6.206638       1.840547  499.5522 54.92357 486.8704 77.25026 12.68182       94.78503 
1 1 1 -1  1  15 o 2095.039 61.76036 113.1263       6.550234  114.7099       9.270389  111.5475       9.256487  2109.918 86.78581 2080.160 87.89534 29.75830       123.5207 
1 1 1 -1  1  16 o 894.8794 35.06414 20.50166       1.580035  19.27290       2.235936  21.72728       2.233080  867.7009 51.12448 922.0579 48.00274 -54.35699      70.12828 
1 1 1 -1  1  17 o 727.7614 37.11023 13.74579       1.345433  12.18934       1.953047  15.15157       1.856111  687.0377 56.65513 768.4852 47.94655 -81.44751      74.22045 
1 1 1 -1  1  18 o 697.6154 37.33036 12.58298       1.306700  13.52883       1.878904  11.69698       1.818481  723.4464 51.63892 671.7844 53.92259 51.66199       74.66073 
1 1 1 -1  1  19 o 556.1837 60.66448 8.446749       1.652571  8.749148       2.345426  8.148610       2.328839  566.9293 84.28063 545.4382 87.27824 21.49103       121.3290 
1 1 1 -1  1  20 o 997.0270 74.05905 26.65423       3.711555  0.000000       0.000000  26.65423       3.711555  ?        ?        997.0270 74.05905 ?              ?        
1 1 1 -1  1  21 o 668.3427 48.94057 11.44797       1.547632  14.22044       2.755559  10.17044       1.870518  719.7194 76.81109 616.9659 60.66938 102.7534       97.88114 
1 1 1 -1  1  22 o 195.6041 60.33036 -0.5686074E-01 1.047844  -0.4558364     1.261949  0.8289440      1.880346  160.3012 72.53173 230.9071 96.42695 -70.60591      120.6607 
1 1 1 -1  1  23 o 186.1372 58.98257 -0.1528648     1.081434  -0.5126272E-01 1.304175  -0.3764812     1.934800  173.7323 76.46773 198.5422 89.82462 -24.80984      117.9651 
1 1 1 -1  1  24 o 355.2923 81.37141 4.460291       1.673868  4.740251       2.376369  4.184608       2.358150  366.2463 115.0384 344.3383 115.1147 21.90793       162.7428 
1 1 1 -1  2  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -1  2  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -1  2  3  o 10314.24 129.4498 2696.217       67.59577  2685.617       95.59316  2706.818       95.59655  10293.94 183.4263 10334.54 182.7122 -40.59961      258.8996 
1 1 1 -1  2  4  o 4579.139 89.26477 523.9688       19.63312  509.0595       24.04271  553.8086       34.01361  4483.220 105.9278 4675.058 143.7084 -191.8379      178.5295 
1 1 1 -1  2  5  o 3690.987 76.41475 345.0810       13.46575  345.7570       23.32071  344.7428       16.49305  3693.000 124.7323 3688.974 88.31036 4.025391       152.8295 
1 1 1 -1  2  6  o 3296.501 57.24012 276.1781       9.551476  281.7654       13.50825  270.5915       13.50740  3329.977 80.12617 3263.025 81.76503 66.95117       114.4802 
1 1 1 -1  2  7  o ?        ?        55.71165       2.691806  56.57837       3.806387  54.84456       3.807189  ?        ?        ?        ?        ?              ?        
1 1 1 -1  2  8  o 1207.068 33.51714 36.95855       2.048041  37.61113       2.899400  36.30870       2.893344  1217.722 47.03016 1196.414 47.76777 21.30762       67.03429 
1 1 1 -1  2  9  o 597.8934 38.74999 9.106365       1.092076  9.041142       1.335917  9.237754       1.896075  595.6507 44.62434 600.1362 63.36337 -4.485474      77.49998 
1 1 1 -1  2  10 o 1290.778 44.06257 43.78323       2.661699  38.49104       4.584968  46.47338       3.268934  1227.951 74.09874 1353.605 47.70133 -125.6539      88.12514 
1 1 1 -1  2  11 o 1714.571 38.68237 74.74657       3.357745  75.22003       4.755489  74.27586       4.741680  1719.998 54.61143 1709.144 54.79867 10.85474       77.36474 
1 1 1 -1  2  12 o 1108.479 34.33091 31.21243       1.925390  30.45122       2.749772  31.94462       2.696826  1095.143 49.59551 1121.816 47.48402 -26.67358      68.66183 
1 1 1 -1  2  13 o 1739.070 39.39288 76.85690       3.467756  75.11553       4.895574  78.61052       4.912765  1719.234 56.24513 1758.907 55.16956 -39.67236      78.78576 
1 1 1 -1  2  14 o 2109.767 53.68881 114.6152       5.386757  116.1945       6.601131  111.4671       9.319620  2135.440 61.05869 2084.094 88.32774 51.34521       107.3776 
1 1 1 -1  2  15 o 503.0076 49.26897 5.738300       1.133017  10.16291       2.054615  3.804827       1.358195  627.0345 65.69820 378.9807 73.44026 248.0538       98.53794 
1 1 1 -1  2  16 o 266.1631 55.21838 1.856144       0.7913331 1.800012       1.083831  1.920231       1.158083  261.9229 76.77219 270.4032 79.38708 -8.480316      110.4368 
1 1 1 -1  2  17 o 391.9143 48.06493 4.128357       0.9076707 3.631817       1.355198  4.532310       1.222339  367.9427 75.28792 415.8859 59.77189 -47.94327      96.12986 
1 1 1 -1  2  18 o 372.8181 58.18252 3.550908       1.015179  4.619460       1.809629  3.060198       1.226321  409.8022 89.71150 335.8339 74.11253 73.96826       116.3650 
1 1 1 -1  2  19 o 757.6840 55.85781 14.97449       2.127562  14.97449       2.127562  0.000000       0.000000  757.6840 55.85781 ?        ?        ?              ?        
1 1 1 -1  2  20 o 389.8742 69.72076 4.369347       1.373010  4.424474       2.038330  4.323558       1.857678  390.9254 101.9369 388.8229 95.14629 2.102539       139.4415 
1 1 1 -1  2  21 f 673.4048 42.36707 12.45104       1.364181  15.75550       1.892012  8.873053       1.968763  775.8279 48.41147 570.9816 69.54281 204.8463       84.73413 
1 1 1 -1  2  22 o 731.7330 43.23787 14.53886       1.582744  15.63849       2.238352  13.43926       2.238325  761.6332 58.49639 701.8328 63.68849 59.80042       86.47573 
1 1 1 -1  2  23 o 190.5456 56.65849 0.2694799      0.9610723 -0.4591130     1.341314  1.038185       1.377741  164.0842 74.45824 217.0070 85.42077 -52.92276      113.3170 
1 1 1 -1  2  24 o 324.1674 73.79980 3.506578       1.337082  3.477588       2.373599  3.520054       1.618268  316.5161 114.8283 331.8185 92.73678 -15.30240      147.5996 
1 1 1 -1  3  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -1  3  2  o 14551.51 447.1979 5396.058       329.4514  5396.058       329.4514  0.000000       0.000000  14551.51 447.1979 ?        ?        ?              ?        
1 1 1 -1  3  3  o 5065.629 81.51936 649.9099       20.90628  651.5244       29.56502  648.2952       29.56687  5071.925 115.1388 5059.333 115.4326 12.59180       163.0387 
1 1 1 -1  3  4  o 8569.224 155.1083 1878.338       58.02698  1892.559       67.00295  1835.671       116.0583  8640.744 153.1649 8497.703 269.7682 143.0410       310.2166 
1 1 1 -1  3  5  o 2366.477 56.96694 145.1529       6.357398  132.6964       11.00195  151.3971       7.789516  2288.072 94.97650 2444.881 62.93166 -156.8083      113.9339 
1 1 1 -1  3  6  o 1867.863 39.76959 88.91625       3.759356  86.00696       5.312261  91.83492       5.320815  1837.058 57.11798 1898.668 55.35356 -61.60950      79.53918 
1 1 1 -1  3  7  o ?        ?        108.3645       4.397992  105.8350       6.216044  110.9000       6.223360  ?        ?        ?        ?        ?              ?        
1 1 1 -1  3  8  o 4351.132 71.83555 482.9832       15.82342  488.8986       22.37660  477.0666       22.37878  4377.990 100.9568 4324.274 102.2208 53.71533       143.6711 
1 1 1 -1  3  9  f 583.1783 40.58147 9.040498       1.080806  9.630797       1.319001  7.834188       1.885552  615.0383 42.62323 551.3184 69.07014 63.71985       81.16295 
1 1 1 -1  3  10 f 1236.006 48.63405 38.76145       3.043299  0.000000       0.000000  38.76145       3.043299  ?        ?        1236.006 48.63405 ?              ?        
1 1 1 -1  3  11 o 1204.977 34.06859 36.87830       2.075731  39.41818       2.964024  34.43379       2.907836  1245.789 46.99520 1164.165 49.33688 81.62415       68.13718 
1 1 1 -1  3  12 o 1124.687 34.12998 32.11191       1.943225  32.29350       2.737467  31.92747       2.758930  1127.914 47.93903 1121.461 48.59292 6.453247       68.25996 
1 1 1 -1  3  13 o 832.3309 34.18070 17.64344       1.432972  18.60214       2.045273  16.71910       2.008289  854.7007 47.45312 809.9611 49.20857 44.73969       68.36140 
1 1 1 -1  3  14 o 571.2415 47.73941 8.362714       1.247360  8.236784       1.496413  8.649442       2.257993  566.5518 52.77823 575.9312 79.56546 -9.379395      95.47881 
1 1 1 -1  3  15 o 1074.211 50.47193 29.39571       2.744879  0.000000       0.000000  29.39571       2.744879  ?        ?        1074.211 50.47193 ?              ?        
1 1 1 -1  3  16 o 1079.259 43.51158 29.51300       2.258597  31.15980       3.867486  28.66067       2.782358  1098.939 69.87688 1059.578 51.86764 39.36157       87.02316 
1 1 1 -1  3  17 o 852.1316 45.12030 18.93780       1.822793  19.19950       2.247329  18.43457       3.116325  864.2334 51.59870 840.0297 74.03336 24.20367       90.24059 
1 1 1 -1  3  18 o 657.7061 40.56288 11.23922       1.335263  11.64980       1.951927  10.87808       1.830602  668.7797 58.23079 646.6324 56.48507 22.14728       81.12576 
1 1 1 -1  3  19 o 874.5020 47.08578 19.53818       1.934061  18.44068       2.325463  22.00059       3.483274  841.3627 54.89450 907.6412 76.51718 -66.27844      94.17157 
1 1 1 -1  3  20 o 729.1212 41.51075 14.04557       1.514527  15.06803       2.127407  12.99483       2.156620  757.5967 55.86028 700.6456 61.41822 56.95111       83.02150 
1 1 1 -1  3  21 o 346.9579 56.88176 3.538532       1.071007  1.381111       1.540995  5.554384       1.489578  242.9766 91.71569 450.9391 67.30804 -207.9626      113.7635 
1 1 1 -1  3  22 o 289.1282 62.70726 2.528593       1.070075  1.375578       1.684512  3.308656       1.385547  242.4569 94.74611 335.7996 82.17041 -93.34265      125.4145 
1 1 1 -1  3  23 o 639.1302 44.48231 11.25075       1.418758  11.97924       2.031980  10.55779       1.981814  660.6068 61.46156 617.6537 64.32092 42.95306       88.96461 
1 1 1 -1  3  24 o 200.6156 58.80231 0.7268319      0.9779398 0.6924951      1.417135  0.7580499      1.351248  200.7233 83.75742 200.5078 82.55628 0.2155304      117.6046 
1 1 1 -1  4  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -1  4  2  o 1288.191 19.78448 42.00693       1.290294  42.00693       1.290294  0.000000       0.000000  1288.191 19.78448 ?        ?        ?              ?        
1 1 1 -1  4  3  o 4630.513 75.52948 543.3389       17.69269  568.0245       25.02302  518.6605       25.01946  4735.798 104.3669 4525.228 109.2078 210.5703       151.0590 
1 1 1 -1  4  4  o 1637.066 33.72186 67.94582       2.735370  68.31074       3.528498  67.39622       4.330251  1642.614 42.42978 1631.518 52.42490 11.09607       67.44373 
1 1 1 -1  4  5  o 3674.979 77.54927 345.9937       13.53126  333.9875       23.45872  351.9799       16.56463  3624.741 127.8332 3725.216 87.83075 -100.4746      155.0985 
1 1 1 -1  4  6  o ?        ?        254.4417       8.909656  254.3313       12.59834  254.5523       12.60197  ?        ?        ?        ?        ?              ?        
1 1 1 -1  4  7  o ?        ?        63.71174       2.949444  64.22715       4.168208  63.19488       4.174086  ?        ?        ?        ?        ?              ?        
1 1 1 -1  4  8  o 3006.452 64.10665 226.0310       9.264874  217.8891       11.33963  242.3793       16.06845  2928.594 76.48140 3084.310 102.9041 -155.7151      128.2133 
1 1 1 -1  4  9  o 1669.499 46.61653 70.83524       3.712128  71.03711       4.547087  70.43185       6.427680  1673.786 53.65987 1665.213 76.24316 8.573242       93.23306 
1 1 1 -1  4  10 o 883.0432 39.08831 19.44196       1.646440  21.24377       2.881343  18.56842       2.006234  911.9276 62.79222 854.1588 46.56954 57.76874       78.17663 
1 1 1 -1  4  11 o 2349.988 55.40861 139.3773       6.244433  135.8383       7.642334  146.4860       10.83129  2308.978 65.37663 2390.998 89.47823 -82.01978      110.8172 
1 1 1 -1  4  12 o 1087.743 40.70553 29.39906       2.122971  32.40376       3.700513  27.92497       2.591936  1126.676 65.15334 1048.809 48.81396 77.86707       81.41106 
1 1 1 -1  4  13 o 2985.813 67.04254 230.1898       9.510880  223.1521       16.46622  233.7132       11.65092  2944.897 110.4435 3026.728 76.03316 -81.83081      134.0851 
1 1 1 -1  4  14 o 2484.404 58.01002 156.7922       6.899527  153.7105       8.441302  162.9945       11.97550  2453.071 67.96975 2515.738 94.02532 -62.66626      116.0200 
1 1 1 -1  4  15 o 2009.906 60.61301 104.2064       6.167707  104.5872       8.733412  103.8276       8.711539  2013.591 85.67005 2006.222 85.76939 7.369263       121.2260 
1 1 1 -1  4  16 o 240.0020 60.24843 1.294117       0.8909614 1.286529       1.107829  1.308014       1.499168  231.6899 78.89366 248.3141 91.07845 -16.62419      120.4969 
1 1 1 -1  4  17 o 904.5831 36.60366 21.03725       1.668552  20.16925       2.339004  21.93664       2.380932  885.3504 52.41680 923.8157 51.10569 -38.46533      73.20732 
1 1 1 -1  4  18 o 415.4549 48.19112 4.606697       0.9779054 4.382889       1.362051  4.844800       1.404877  404.5765 68.97163 426.3332 67.32349 -21.75671      96.38225 
1 1 1 -1  4  19 o 983.5605 36.77655 25.12201       1.824607  25.59278       2.591806  24.65945       2.569110  992.8453 51.74200 974.2757 52.27642 18.56958       73.55311 
1 1 1 -1  4  20 o 405.6716 65.48371 4.840224       1.293576  4.016092       2.102648  5.342100       1.640842  370.5807 106.4498 440.7625 76.29483 -70.18182      130.9674 
1 1 1 -1  4  21 o 759.5518 41.02142 15.36507       1.563277  16.35116       2.226116  14.40564       2.195811  784.7308 56.40931 734.3728 59.57364 50.35803       82.04285 
1 1 1 -1  4  22 o 965.7052 40.16754 25.10106       1.952162  23.64365       2.761461  26.55702       2.760087  935.7903 58.58281 995.6200 54.97072 -59.82965      80.33508 
1 1 1 -1  4  23 o 207.7529 61.83020 0.5297917      1.094651  1.090914       1.710328  0.1404550      1.424667  229.6188 93.51600 185.8869 80.91138 43.73196       123.6604 
1 1 1 -1  5  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 -1  5  2  f 7920.113 151.0779 1591.286       57.10958  1591.020       69.94545  1591.818       98.91447  7922.064 174.3964 7918.162 246.7470 3.902832       302.1559 
1 1 1 -1  5  3  f 3768.939 63.32558 359.8098       12.08141  366.9872       17.08689  352.6344       17.08450  3806.549 88.66412 3731.329 90.43886 75.22021       126.6512 
1 1 1 -1  5  4  o 3196.318 55.69723 258.8833       9.010976  252.5613       12.74106  265.2100       12.74583  3157.237 79.71040 3235.400 77.81375 -78.16333      111.3945 
1 1 1 -1  5  5  o 1773.692 37.92154 79.87874       3.398840  73.95695       4.791393  85.87672       4.822127  1707.334 55.43189 1840.051 51.76368 -132.7172      75.84308 
1 1 1 -1  5  6  o ?        ?        66.18433       3.512133  65.89768       4.301571  66.75753       6.082896  ?        ?        ?        ?        ?              ?        
1 1 1 -1  5  7  o 515.1004 31.33189 6.802691       0.8052828 6.075774       1.136366  7.535978       1.141334  486.8977 46.67143 543.3031 41.81539 -56.40536      62.66378 
1 1 1 -1  5  8  o 2155.034 43.11193 117.8090       4.703555  116.9005       6.650327  118.7184       6.653337  2146.704 61.19095 2163.364 60.74721 -16.66016      86.22387 
1 1 1 -1  5  9  o 1727.634 38.57630 75.70673       3.374080  75.60804       4.766531  75.80584       4.776825  1726.507 54.53187 1728.761 54.57838 -2.254028      77.15260 
1 1 1 -1  5  10 o 3631.552 77.48019 341.3354       13.37204  332.5634       23.16035  345.7217       16.37758  3586.249 127.5619 3676.855 87.98114 -90.60645      154.9604 
1 1 1 -1  5  11 o 474.4402 46.72135 5.992713       1.029891  6.362280       1.290141  5.343493       1.709961  497.6675 51.97191 451.2130 77.65603 46.45456       93.44270 
1 1 1 -1  5  12 o 448.8848 44.59745 4.953764       0.9353945 4.433070       1.131317  6.078911       1.663019  414.0765 55.35134 483.6931 69.94255 -69.61652      89.19491 
1 1 1 -1  5  13 o 796.9603 34.33194 16.19188       1.378479  15.88190       1.942793  16.50617       1.956204  789.2134 48.86410 804.7072 48.23928 -15.49384      68.66388 
1 1 1 -1  5  14 o 1882.349 49.54681 89.52158       4.476565  94.09196       7.750261  87.23338       5.483846  1915.040 79.93829 1849.659 58.56119 65.38086       99.09361 
1 1 1 -1  5  15 o 1618.804 48.57561 68.10178       3.716573  64.81421       6.435627  69.74683       4.552443  1584.323 80.49952 1653.286 54.38924 -68.96265      97.15123 
1 1 1 -1  5  16 o 401.4610 58.19347 4.583289       1.090934  5.201053       1.352456  3.432707       1.845740  446.3006 61.48922 356.6214 98.81800 89.67920       116.3869 
1 1 1 -1  5  17 o 536.0781 41.29355 7.391683       1.095398  8.398879       1.664605  6.622414       1.454767  568.1596 58.71749 503.9967 58.07655 64.16293       82.58710 
1 1 1 -1  5  18 o 905.1333 37.07685 21.20688       1.691608  21.32638       2.410080  21.09085       2.374898  907.5603 52.67990 902.7063 52.18810 4.854004       74.15369 
1 1 1 -1  5  19 o 739.9681 47.66364 13.90538       1.666469  16.45157       2.975165  12.74132       2.011655  782.9457 76.01585 696.9905 57.52288 85.95514       95.32729 
1 1 1 -1  5  20 o 275.9741 67.14468 1.859037       1.090385  2.709254       1.883915  1.430744       1.337110  310.9765 102.8491 240.9716 86.34642 70.00487       134.2894 
1 1 1 -1  5  21 o 385.8337 67.78854 4.078699       1.284941  3.091457       1.585808  5.965909       2.192547  324.2712 92.21751 447.3963 99.38348 -123.1251      135.5771 
1 1 1 -1  5  22 o 218.0530 61.04202 0.9617094      1.003133  1.388686       1.490626  0.6082836      1.356175  236.3090 89.96134 199.7970 82.53162 36.51207       122.0840 
1 1 1 -1  5  23 o 210.7138 63.76335 0.4620305      1.246626  1.185141       1.515600  -1.050510      2.191977  226.2499 89.42262 195.1777 90.92115 31.07219       127.5267 
1 1 1 -1  6  1  o 3607.710 122.5743 329.7753       22.38797  329.7753       22.38797  0.000000       0.000000  3607.710 122.5743 ?        ?        ?              ?        
1 1 1 -1  6  2  o 5453.205 86.93728 753.6426       24.00153  750.6606       33.94402  756.6245       33.94256  5442.404 123.1938 5464.006 122.7015 -21.60254      173.8746 
1 1 1 -1  6  3  o 1121.609 31.59281 31.85648       1.793634  32.58227       2.537863  31.13215       2.535303  1134.378 44.19028 1108.841 45.16240 25.53723       63.18563 
1 1 1 -1  6  4  o 3431.043 72.75468 300.3837       11.88850  295.2519       20.58343  302.9526       14.56324  3406.780 119.3411 3455.306 83.25067 -48.52612      145.5094 
1 1 1 -1  6  5  o ?        ?        49.23090       2.818155  52.78994       3.453470  42.13688       4.875687  ?        ?        ?        ?        ?              ?        
1 1 1 -1  6  6  o ?        ?        33.83418       2.232396  34.92412       2.740276  31.68338       3.849376  ?        ?        ?        ?        ?              ?        
1 1 1 -1  6  7  o 1012.016 40.38260 26.27830       1.934647  25.37549       3.345583  26.73187       2.371339  997.2509 66.64874 1026.781 45.61757 -29.53009      80.76519 
1 1 1 -1  6  8  o 1791.770 47.87172 81.14545       4.099756  82.48130       7.108269  80.47957       5.018586  1802.028 77.91458 1781.511 55.64283 20.51648       95.74344 
1 1 1 -1  6  9  o 1726.587 54.79361 75.86147       4.789461  76.35098       6.760491  75.36821       6.786222  1732.226 77.08858 1720.949 77.88907 11.27722       109.5872 
1 1 1 -1  6  10 o 2166.497 53.94545 120.3839       5.561098  118.3112       9.639155  121.4180       6.808438  2149.157 88.59052 2183.837 61.58057 -34.67993      107.8909 
1 1 1 -1  6  11 o 2826.480 63.72187 205.1504       8.579651  206.4722       10.51103  202.5117       14.85150  2845.553 72.96170 2807.406 104.4916 38.14697       127.4437 
1 1 1 -1  6  12 o 2492.363 47.58606 158.1552       6.003509  161.4349       8.491447  154.8774       8.489039  2518.345 66.60132 2466.380 67.98528 51.96460       95.17213 
1 1 1 -1  6  13 o 698.0366 43.22116 12.44988       1.412713  12.35434       1.715655  12.65108       2.489690  695.5366 49.03616 700.5367 71.18799 -5.000061      86.44232 
1 1 1 -1  6  14 o 1088.663 42.56754 30.29525       2.208016  30.35979       3.807265  30.26254       2.710376  1086.958 69.55047 1090.368 49.09903 -3.410034      85.13508 
1 1 1 -1  6  15 o 442.1459 55.71816 5.432625       1.121807  4.415932       1.913193  5.965320       1.384852  404.6000 95.02027 479.6917 58.21684 -75.09174      111.4363 
1 1 1 -1  6  16 f 159.4079 49.77432 -0.3186762     0.7881461 0.1338771      0.9641379 -1.230238      1.368351  164.6317 68.92435 154.1842 71.82874 10.44748       99.54865 
1 1 1 -1  6  17 o 486.1298 42.99036 6.169679       1.032866  6.652023       1.515225  5.751021       1.411654  504.1205 60.58211 468.1391 61.01223 35.98138       85.98071 
1 1 1 -1  6  18 o 616.5520 54.08897 10.12605       1.499945  10.06026       1.788572  10.28201       2.753677  620.2463 57.61689 612.8577 91.55742 7.388672       108.1779 
1 1 1 -1  6  19 o 324.7082 70.59745 2.837650       1.223774  3.479686       2.098789  2.506921       1.506349  348.9505 107.8681 300.4659 91.10696 48.48462       141.1949 
1 1 1 -1  6  20 o 877.6198 47.08738 19.24323       1.952862  24.76696       3.558638  16.86299       2.336028  956.5878 74.05815 798.6517 58.17453 157.9361       94.17476 
1 1 1 -1  6  21 o 714.5609 51.56961 13.95045       1.748153  13.59521       2.158549  14.62758       2.980127  710.5048 60.58723 718.6169 83.46787 -8.112122      103.1392 
1 1 1 -1  6  22 o 299.8647 62.57794 2.756790       1.077157  1.635272       1.618818  3.647877       1.442963  249.0320 94.00266 350.6974 82.62864 -101.6654      125.1559 
1 1 1 -1  6  23 o 249.6841 72.72242 0.7120686      1.306853  -0.1133644     1.494110  3.399835       2.696108  181.0725 80.65654 318.2956 121.0319 -137.2230      145.4448 
1 1 1 -1  7  1  o 3276.997 80.47207 272.2945       13.34855  278.0062       18.88014  266.5858       18.87526  3311.415 112.6180 3242.579 114.9791 68.83569       160.9441 
1 1 1 -1  7  2  o 1516.223 35.72476 58.22216       2.742249  58.68541       3.879848  57.75974       3.876407  1522.252 50.34364 1510.193 50.70061 12.05823       71.44952 
1 1 1 -1  7  3  o 3361.119 71.34892 288.0483       11.42653  290.0045       13.99745  284.1406       19.78325  3380.486 81.78737 3341.752 116.9337 38.73389       142.6978 
1 1 1 -1  7  4  o 4911.515 139.4200 764.3597       34.66764  0.000000       0.000000  764.3597       34.66764  ?        ?        4911.515 139.4200 ?              ?        
1 1 1 -1  7  5  o ?        ?        76.93684       3.894037  75.55545       6.747928  77.62654       4.768052  ?        ?        ?        ?        ?              ?        
1 1 1 -1  7  6  o 2702.237 61.92447 189.8238       7.921702  195.3570       9.708344  178.8003       13.70308  2767.906 69.28037 2636.569 102.6586 131.3364       123.8489 
1 1 1 -1  7  7  f 2088.666 49.10777 111.1507       4.488846  111.5483       5.184164  109.9593       8.973068  2097.693 48.81498 2079.638 85.22552 18.05566       98.21553 
1 1 1 -1  7  8  o 1151.860 43.86612 35.41614       2.329879  38.45037       2.852778  29.33837       4.037535  1231.644 45.75084 1072.076 74.85857 159.5681       87.73223 
1 1 1 -1  7  9  o 1837.822 48.50549 85.42688       4.268823  87.62056       7.387191  84.32708       5.230566  1853.849 78.70844 1821.796 56.71075 32.05322       97.01097 
1 1 1 -1  7  10 o 1938.027 51.46541 97.48471       4.717762  91.30578       8.164806  100.5817       5.780392  1888.035 85.41857 1988.019 57.43189 -99.98450      102.9308 
1 1 1 -1  7  11 o 4252.064 89.23544 471.5633       17.99770  480.2386       22.04324  454.2156       31.17108  4327.080 100.6229 4177.048 147.4004 150.0317       178.4709 
1 1 1 -1  7  12 o 1011.721 33.76296 25.99011       1.729051  25.95492       2.467694  26.02404       2.423401  1011.018 48.21130 1012.423 47.28022 -1.405457      67.52592 
1 1 1 -1  7  13 o 2190.559 55.35192 125.0945       5.730190  129.4960       7.023503  116.3325       9.909531  2253.922 61.55046 2127.197 92.01565 126.7246       110.7038 
1 1 1 -1  7  14 o 2000.297 53.31137 105.1952       5.030746  95.61542       8.667192  110.0626       6.177954  1924.429 88.95959 2076.166 58.77587 -151.7361      106.6227 
1 1 1 -1  7  15 o 871.1146 43.97897 19.55140       1.808854  19.48572       3.145004  19.58387       2.211186  867.4790 72.26835 874.7501 50.13868 -7.271118      87.95795 
1 1 1 -1  7  16 o 1156.120 44.91972 34.74523       2.460276  35.28988       3.018487  33.66727       4.246514  1174.350 50.77011 1137.891 74.11828 36.45959       89.83943 
1 1 1 -1  7  17 o 626.2708 39.83811 10.17970       1.247233  10.46257       1.830552  9.934610       1.703953  634.0540 57.65597 618.4877 54.99172 15.56628       79.67622 
1 1 1 -1  7  18 o 859.6055 44.95590 18.70472       1.850342  17.22375       2.257084  21.73975       3.231135  813.2052 55.14918 906.0058 71.01197 -92.80060      89.91180 
1 1 1 -1  7  19 o 1057.628 46.95822 29.45949       2.354740  30.31184       4.095530  29.03858       2.878002  1060.918 76.76949 1054.338 54.09938 6.579834       93.91644 
1 1 1 -1  7  20 o 752.2480 49.87697 15.29706       1.793877  15.38351       2.996893  15.24880       2.239368  746.5718 80.56648 757.9242 58.82085 -11.35236      99.75394 
1 1 1 -1  7  21 o 468.4258 61.86369 6.168597       1.329562  5.741677       1.603358  7.108403       2.378899  452.4231 72.44511 484.4285 100.3004 -32.00540      123.7274 
1 1 1 -1  7  22 o 215.3589 61.33599 0.6645948      1.067379  1.812623       1.616458  -0.2229669     1.421305  255.5655 94.43650 175.1524 78.29534 80.41307       122.6720 
1 1 1 -1  7  23 o 370.9200 73.89978 4.503907       1.395367  4.384726       1.700395  4.749650       2.441656  374.7968 90.61193 367.0433 116.7655 7.753479       147.7996 
1 1 1 -1  8  1  o 5172.609 118.8998 685.5407       31.13677  684.0715       44.03624  687.0096       44.03184  5166.996 168.3404 5178.222 167.9587 -11.22607      237.7995 
1 1 1 -1  8  2  o 2522.510 67.15654 161.8095       8.576395  0.000000       0.000000  161.8095       8.576395  ?        ?        2522.510 67.15654 ?              ?        
1 1 1 -1  8  3  o ?        ?        259.5599       12.76797  259.5599       12.76797  0.000000       0.000000  ?        ?        ?        ?        ?              ?        
1 1 1 -1  8  4  o ?        ?        125.4141       6.969154  127.5263       9.842089  123.2900       9.869713  ?        ?        ?        ?        ?              ?        
1 1 1 -1  8  5  o 1986.842 41.24206 100.9610       4.148423  101.4392       5.865056  100.4822       5.868456  1991.605 58.16816 1982.080 58.48158 9.525146       82.48412 
1 1 1 -1  8  6  o 765.2430 32.08335 14.97649       1.229474  13.24595       1.754036  16.64795       1.723836  721.1465 48.32262 809.3396 42.21717 -88.19305      64.16670 
1 1 1 -1  8  7  o 1413.361 39.66200 49.32631       2.482511  47.97453       2.863105  53.42110       4.983091  1375.980 41.09996 1450.743 67.84608 -74.76270      79.32401 
1 1 1 -1  8  8  o 1831.050 46.62174 86.47989       3.702997  87.73706       4.270734  82.67193       7.432780  1860.071 45.35125 1802.029 81.47153 58.04236       93.24348 
1 1 1 -1  8  9  o 1684.378 47.71760 73.65409       3.806038  68.37438       6.557817  76.33586       4.673745  1635.869 79.18214 1732.887 53.27349 -97.01807      95.43520 
1 1 1 -1  8  10 o 934.0439 40.19770 22.29801       1.784384  22.10801       3.079477  22.39405       2.189396  929.0855 65.89679 939.0024 46.05470 -9.916931      80.39541 
1 1 1 -1  8  11 f 1405.327 44.63344 50.71696       2.970761  51.49148       3.635993  49.16169       5.152406  1423.874 50.43917 1386.781 73.65097 37.09290       89.26688 
1 1 1 -1  8  12 o 1346.321 35.78999 46.06908       2.436713  48.91137       3.465388  43.28942       3.426997  1387.533 49.33157 1305.109 51.86608 82.42407       71.57998 
1 1 1 -1  8  13 o 1044.597 44.84071 28.82280       2.176147  30.46130       2.658964  25.49903       3.787094  1094.322 47.99366 994.8717 75.75860 99.44995       89.68142 
1 1 1 -1  8  14 f 1347.375 44.86071 46.12481       2.888737  47.78065       5.001753  45.29605       3.538563  1362.109 72.79509 1332.641 52.44816 29.46851       89.72143 
1 1 1 -1  8  15 o 1608.645 47.60304 66.36016       3.653971  67.00694       6.337471  66.03808       4.472149  1610.406 77.73149 1606.884 54.97284 3.522095       95.20608 
1 1 1 -1  8  16 o 233.6889 53.05246 1.173990       0.9015115 2.470090       1.115448  -1.267184      1.530839  302.6155 73.53072 164.7623 76.49502 137.8532       106.1049 
1 1 1 -1  8  17 f 1618.292 39.57895 67.69415       3.242683  67.64224       4.584892  67.74609       4.586802  1617.665 55.98310 1618.918 55.96307 -1.253296      79.15789 
1 1 1 -1  8  18 o 630.6169 45.95351 9.619435       1.378143  7.489775       1.673424  14.10835       2.429527  531.3116 63.46804 729.9224 66.47337 -198.6108      91.90702 
1 1 1 -1  8  19 o 581.8629 46.04955 9.068699       1.316491  10.70839       1.893422  7.534152       1.831710  635.9206 59.50303 527.8053 70.29674 108.1153       92.09909 
1 1 1 -1  8  20 o 271.5293 67.70145 1.966262       1.115390  1.865315       1.974551  2.013569       1.351708  274.1469 103.7375 268.9116 87.01997 5.235321       135.4029 
1 1 1 -1  8  21 o 184.3130 58.40976 -0.3356680     1.063248  -0.6253081     1.306106  0.2333759      1.830720  158.2339 72.44098 210.3920 91.64663 -52.15816      116.8195 
1 1 1 -1  8  22 o 187.1419 57.32990 0.2031764      1.003170  -0.8081064E-01 1.518856  0.4229185      1.336054  183.9415 81.66186 190.3423 80.48732 -6.400818      114.6598 
1 1 1 -1  8  23 o 548.2882 52.67458 8.895239       1.370171  6.623444       1.948097  11.11924       1.927495  465.4919 85.82581 631.0845 61.09317 -165.5926      105.3492 
1 1 1 -1  9  1  o ?        ?        11.07966       1.124240  11.00457       1.385697  11.22429       1.923073  ?        ?        ?        ?        ?              ?        
1 1 1 -1  9  2  o ?        ?        7.628576       1.201520  7.628576       1.201520  0.000000       0.000000  ?        ?        ?        ?        ?              ?        
1 1 1 -1  9  3  o ?        ?        60.14390       4.006173  59.82063       5.668946  60.46642       5.662229  ?        ?        ?        ?        ?              ?        
1 1 1 -1  9  4  o 1139.124 47.84185 33.50012       2.729530  37.54364       3.854248  29.43178       3.866055  1209.732 63.15032 1068.516 71.88470 141.2161       95.68371 
1 1 1 -1  9  5  o 649.1841 29.39386 10.72777       0.9608586 10.90549       1.358457  10.54985       1.359262  654.6191 41.19979 643.7490 41.93534 10.87006       58.78772 
1 1 1 -1  9  6  o 2219.606 52.97089 124.1887       5.625307  122.2827       6.881695  128.0269       9.765695  2195.330 61.91728 2243.881 85.96460 -48.55078      105.9418 
1 1 1 -1  9  7  o 1584.878 34.28475 64.79831       2.669830  68.92094       3.452378  58.66461       4.211069  1649.046 41.35250 1520.710 54.69686 128.3367       68.56950 
1 1 1 -1  9  8  o 2230.798 51.26609 126.5492       4.995804  126.3134       5.757804  127.2675       10.04865  2230.238 50.99435 2231.357 88.95181 -1.119629      102.5322 
1 1 1 -1  9  9  o 391.6529 33.88027 4.015611       0.6369992 4.237878       0.8231313 3.683761       1.005777  406.5917 40.52780 376.7140 54.30459 29.87769       67.76054 
1 1 1 -1  9  10 o 947.8406 41.32608 23.13928       1.851266  22.24139       3.200880  23.59059       2.269319  931.8011 68.32841 963.8800 46.50386 -32.07892      82.65217 
1 1 1 -1  9  11 o 1968.247 50.25460 97.81503       4.734939  95.94751       5.791512  101.5796       8.222725  1942.292 58.89709 1994.203 81.44467 -51.91162      100.5092 
1 1 1 -1  9  12 o 1491.529 36.96139 56.59558       2.789363  59.03107       3.955021  54.18522       3.934569  1523.597 51.27374 1459.461 53.25019 64.13660       73.92278 
1 1 1 -1  9  13 o 842.4053 44.67166 18.32397       1.735881  18.46445       2.085372  18.00701       3.132441  850.2666 48.64651 834.5441 74.93829 15.72253       89.34332 
1 1 1 -1  9  14 o 791.3600 35.25113 16.03537       1.404882  16.17396       1.974141  15.89316       1.999712  794.9357 49.29578 787.7842 50.40331 7.151428       70.50225 
1 1 1 -1  9  15 o 1062.492 35.45546 28.92783       1.899448  31.12223       2.686802  26.73531       2.685650  1103.908 48.07498 1021.075 52.12635 82.83307       70.91093 
1 1 1 -1  9  16 o 834.2369 44.47835 18.01005       1.723467  17.87615       2.074822  18.30807       3.095395  833.4070 49.39478 835.0668 73.98277 -1.659790      88.95670 
1 1 1 -1  9  17 o 916.9636 36.12224 21.78426       1.668580  22.60466       2.342541  20.93933       2.377301  935.1100 49.65928 898.8171 52.47114 36.29297       72.24448 
1 1 1 -1  9  18 o 1163.879 36.86670 35.17886       2.171982  35.99676       3.079764  34.36953       3.063591  1177.608 51.65748 1150.151 52.61292 27.45703       73.73340 
1 1 1 -1  9  19 o 223.2882 58.38849 1.122401       0.8885912 1.492867       1.232826  0.7218373      1.281927  240.7390 83.18347 205.8374 81.95959 34.90157       116.7770 
1 1 1 -1  9  20 o 574.8286 43.89168 8.812410       1.248454  7.906691       1.654226  10.01096       1.902946  540.9739 61.49236 608.6833 62.64669 -67.70947      87.78336 
1 1 1 -1  9  21 o 276.0783 67.86353 2.204898       1.088631  2.225884       1.269651  2.146637       2.115458  274.4940 83.73520 277.6627 106.8188 -3.168701      135.7271 
1 1 1 -1  9  22 o 245.6454 65.62357 1.477966       1.118729  2.452020       1.765907  0.8249593      1.445889  282.1372 99.42811 209.1535 85.67301 72.98366       131.2471 
1 1 1 -1  9  23 o 283.0678 71.58415 2.741737       1.354124  1.140508       2.701835  3.278868       1.564848  248.5165 109.6905 317.6192 92.00629 -69.10269      143.1683 
1 1 1 -1  10 1  o ?        ?        2.587862       0.5099244 2.729256       0.7403793 2.460264       0.7033303 ?        ?        ?        ?        ?              ?        
1 1 1 -1  10 2  o 3191.402 74.63223 281.8370       11.26521  285.4202       13.79599  274.6675       19.51480  3270.229 83.32798 3112.575 123.8399 157.6541       149.2645 
1 1 1 -1  10 3  o 1765.466 47.49543 79.28991       4.000127  79.70965       6.940551  79.08114       4.894864  1767.119 77.57908 1763.813 54.81561 3.305176       94.99087 
1 1 1 -1  10 4  o 511.4761 38.54717 6.793963       0.9112623 6.941461       1.109732  6.488601       1.596733  521.5683 42.39334 501.3839 64.39211 20.18439       77.09435 
1 1 1 -1  10 5  o 715.4298 43.19389 13.10304       1.536709  15.18096       2.204686  11.13961       2.143093  771.5442 56.84229 659.3154 65.05231 112.2288       86.38779 
1 1 1 -1  10 6  o 1278.168 42.05403 41.95070       2.550711  40.22815       4.394301  42.82600       3.132437  1256.652 69.33859 1299.683 47.60594 -43.03162      84.10806 
1 1 1 -1  10 7  o 1895.358 50.16268 93.51076       4.492061  85.46522       7.740056  97.59705       5.516088  1830.481 83.52091 1960.235 55.58269 -129.7537      100.3254 
1 1 1 -1  10 8  o 3213.149 51.45325 262.7317       8.209436  259.0130       10.58798  268.3372       12.99936  3187.366 65.61414 3238.932 79.27505 -51.56543      102.9065 
1 1 1 -1  10 9  o 3090.262 50.57616 245.5360       7.716702  252.1826       9.951721  235.5133       12.22054  3146.165 62.47886 3034.360 79.54990 111.8047       101.1523 
1 1 1 -1  10 10 o 2244.833 44.44380 128.5278       5.032012  141.8324       7.135671  115.3664       7.097166  2361.237 59.69136 2128.429 65.86308 232.8079       88.88760 
1 1 1 -1  10 11 o 2673.630 60.38138 180.9866       7.732261  176.9860       9.458505  189.0468       13.42549  2634.121 70.92561 2713.140 97.74049 -79.01855      120.7628 
1 1 1 -1  10 12 o 1606.607 38.19078 65.74731       3.104805  63.13124       4.377098  68.39654       4.404748  1574.271 54.91905 1638.943 53.08521 -64.67188      76.38155 
1 1 1 -1  10 13 o 378.3370 45.82041 3.710246       0.8353547 2.792184       1.117396  4.873446       1.257762  323.8362 70.18146 432.8378 58.92879 -109.0016      91.64082 
1 1 1 -1  10 14 o 508.3336 41.85228 6.769269       1.028919  5.138233       1.438120  8.479732       1.472720  442.6324 66.20909 574.0348 51.21339 -131.4023      83.70457 
1 1 1 -1  10 15 o 450.1469 45.20549 5.423394       0.9743391 6.609170       1.358527  4.167397       1.398175  504.9574 53.97721 395.3364 72.53004 109.6210       90.41098 
1 1 1 -1  10 16 o 1023.477 35.92458 26.91933       1.860167  26.22300       2.572857  27.68197       2.692570  1009.777 50.32765 1037.177 51.27796 -27.39966      71.84916 
1 1 1 -1  10 17 o 1481.528 38.54385 56.93625       2.890764  56.28434       4.056349  57.60902       4.120727  1472.988 54.39417 1490.069 54.62405 -17.08032      77.08769 
1 1 1 -1  10 18 o 543.5366 53.81303 8.221286       1.347367  7.474933       2.270758  8.626839       1.673872  516.1862 90.17419 570.8870 58.75360 -54.70081      107.6261 
1 1 1 -1  10 19 o 156.4445 48.02115 -0.3201781     0.7673512 0.5168139      1.012485  -1.449781      1.176227  181.3713 72.63033 131.5176 62.84074 49.85374       96.04230 
1 1 1 -1  10 20 f 211.4228 58.24587 0.9237232      0.9074064 1.223027       1.261974  0.6033317      1.305675  224.0314 83.31081 198.8142 81.42257 25.21718       116.4917 
1 1 1 -1  10 21 o 289.0429 61.84665 2.502972       0.9694917 2.345187       1.257197  2.734469       1.522803  279.9490 82.86244 298.1368 91.83598 -18.18781      123.6933 
1 1 1 -1  10 22 o 268.7123 67.24803 2.306632       1.208759  2.901588       1.363456  0.1220133      2.612681  306.9297 84.88920 230.4950 104.3217 76.43469       134.4961 
1 1 1 -1  11 1  o 1184.017 40.43691 35.27629       2.293631  34.48890       2.813050  36.83792       3.961620  1165.954 47.65543 1202.080 65.34168 -36.12610      80.87383 
1 1 1 -1  11 2  o 985.5934 45.42497 24.63230       2.266606  24.63230       2.266606  0.000000       0.000000  985.5934 45.42497 ?        ?        ?              ?        
1 1 1 -1  11 3  o 1279.789 48.61928 41.72943       3.135501  43.96055       4.448969  39.52757       4.419711  1314.072 67.09753 1245.507 70.37939 68.56519       97.23856 
1 1 1 -1  11 4  o 1367.278 44.41990 48.94201       2.843219  51.64788       3.484751  43.55381       4.917458  1427.321 48.22435 1307.235 74.61181 120.0858       88.83980 
1 1 1 -1  11 5  o 3597.505 75.12058 328.7116       12.91925  335.1022       22.39442  325.5238       15.81657  3618.858 122.2319 3576.152 87.36000 42.70605       150.2412 
1 1 1 -1  11 6  f 573.2356 32.08136 8.396631       0.9223438 8.772080       1.297465  8.013057       1.311429  586.4231 44.02324 560.0481 46.67772 26.37500       64.16272 
1 1 1 -1  11 7  o 2464.201 58.94849 158.1148       6.867428  163.3483       8.415167  147.6800       11.88255  2531.489 65.66032 2396.913 97.92048 134.5759       117.8970 
1 1 1 -1  11 8  o 2457.830 58.75146 156.1271       6.858490  158.6778       8.401545  151.0316       11.87461  2493.648 66.54881 2422.011 96.84108 71.63745       117.5029 
1 1 1 -1  11 9  o 1874.784 40.63099 89.46610       3.853774  92.79063       5.429464  86.09065       5.470890  1910.114 56.14539 1839.454 58.74694 70.65906       81.26197 
1 1 1 -1  11 10 o 1427.794 45.76810 53.35718       3.089802  47.92274       5.257023  56.22527       3.819076  1368.038 76.20538 1487.551 50.71109 -119.5127      91.53619 
1 1 1 -1  11 11 o 870.9941 40.44125 18.96894       1.668082  18.17646       2.020567  20.66490       2.955880  844.3185 47.46228 897.6698 65.49284 -53.35132      80.88250 
1 1 1 -1  11 12 o 1473.713 48.23023 57.67128       3.309105  61.35226       4.051570  50.29579       5.735045  1551.667 51.57525 1395.760 81.51450 155.9065       96.46046 
1 1 1 -1  11 13 o 586.3817 45.24027 8.282643       1.264626  11.25270       2.218118  6.852267       1.539314  658.7816 67.45717 513.9819 60.30140 144.7997       90.48055 
1 1 1 -1  11 14 o 722.9246 36.66309 13.52745       1.322174  14.55286       1.810598  12.35593       1.935297  753.4648 47.71154 692.3843 55.68068 61.08051       73.32618 
1 1 1 -1  11 15 o 1001.253 35.87553 25.77263       1.813727  26.49796       2.542171  25.02064       2.588449  1016.625 49.39243 985.8814 52.04425 30.74316       71.75107 
1 1 1 -1  11 16 f 656.4153 38.23377 11.22364       1.256322  11.44685       1.730737  10.97504       1.826547  664.0610 51.89247 648.7696 56.16454 15.29144       76.46754 
1 1 1 -1  11 17 o 880.8955 46.35506 20.56808       1.896889  20.63978       2.292788  20.41253       3.376940  890.7921 51.05266 870.9989 77.38730 19.79315       92.71013 
1 1 1 -1  11 18 o 535.8378 51.77818 7.722070       1.300440  8.176236       2.224732  7.486345       1.602777  542.0614 83.76801 529.6143 60.88385 12.44714       103.5564 
1 1 1 -1  11 19 o 264.6082 61.21579 1.903848       0.9219863 1.754077       1.164400  2.155572       1.509562  251.9486 80.68629 277.2678 92.08264 -25.31923      122.4316 
1 1 1 -1  11 20 o 232.3181 53.30279 1.187646       0.9042343 2.751314       1.212265  -0.7734281     1.357602  306.9507 77.88315 157.6855 72.79399 149.2651       106.6056 
1 1 1 -1  11 21 o 224.6675 59.66619 1.307421       0.9419961 1.700932       1.227229  0.7430693      1.469679  242.5568 83.03426 206.7781 85.70606 35.77870       119.3324 
1 1 1 -1  11 22 o 625.5552 56.45609 10.95681       1.609463  9.898129       1.905591  13.59142       3.006110  591.1888 64.72535 659.9217 92.51913 -68.73291      112.9122 
1 1 1 -1  12 1  o 308.3808 41.85006 2.698398       0.5988848 3.227741       0.7558540 1.805598       0.9816266 354.2669 43.02591 262.4947 71.79472 91.77216       83.70012 
1 1 1 -1  12 2  o 615.4017 44.39207 9.649237       1.373796  9.649237       1.373796  0.000000       0.000000  615.4017 44.39207 ?        ?        ?              ?        
1 1 1 -1  12 3  o 1479.171 51.01949 55.58643       3.820522  56.24869       5.418739  54.93180       5.387466  1487.948 71.93281 1470.394 72.37144 17.55371       102.0390 
1 1 1 -1  12 4  o 1872.823 39.90748 89.04245       3.782625  86.40842       5.348569  91.67820       5.350310  1845.034 57.25977 1900.611 55.60348 -55.57751      79.81496 
1 1 1 -1  12 5  o 647.6433 39.58228 10.83104       1.195121  10.47014       2.096072  11.00488       1.454759  638.1545 65.82298 657.1322 43.98140 -18.97772      79.16456 
1 1 1 -1  12 6  o 452.7454 31.04960 5.256585       0.7018460 5.557188       0.9952436 4.959203       0.9898983 465.9037 42.66778 439.5871 45.11953 26.31665       62.09921 
1 1 1 -1  12 7  o 836.2815 39.48499 18.05663       1.562034  18.40335       1.919617  17.37711       2.687349  849.8559 44.77346 822.7070 65.05071 27.14886       78.96998 
1 1 1 -1  12 8  o 634.0280 34.25147 10.27235       1.089828  10.29304       1.580363  10.25359       1.504902  634.4955 49.59196 633.5605 47.25770 0.9350586      68.50294 
1 1 1 -1  12 9  o 378.9891 38.99298 3.972628       0.6672765 4.531005       0.8371204 2.999597       1.105064  420.7184 39.77358 337.2599 67.08109 83.45850       77.98596 
1 1 1 -1  12 10 o 196.5425 56.75845 0.5053006      0.6823416 0.5744915      0.7353206 0.7638133E-01  1.830797  171.3546 63.61909 221.7304 94.01436 -50.37587      113.5169 
1 1 1 -1  12 11 o 2500.138 67.84246 159.8906       8.587152  159.8906       8.587152  0.000000       0.000000  2500.138 67.84246 ?        ?        ?              ?        
1 1 1 -1  12 12 o 1630.217 50.04463 70.18609       3.814190  73.61430       4.663443  63.25884       6.629077  1697.958 54.24954 1562.475 84.11211 135.4828       100.0893 
1 1 1 -1  12 13 o 1187.001 44.37273 36.65847       2.505004  34.89017       4.273532  37.58407       3.091871  1160.931 73.08350 1213.072 50.34442 -52.14038      88.74547 
1 1 1 -1  12 14 o 1357.415 36.82957 47.18514       2.528908  44.56462       3.532886  49.93892       3.621597  1318.520 52.92481 1396.311 51.23119 -77.79114      73.65915 
1 1 1 -1  12 15 o 1816.317 41.26739 85.31483       3.794101  86.94735       5.359722  83.67506       5.371637  1834.153 57.71955 1798.481 58.99527 35.67249       82.53477 
1 1 1 -1  12 16 o 1004.871 44.87495 26.78264       2.157952  25.48195       3.614736  27.50289       2.689873  978.8863 73.47519 1030.856 51.54067 -51.96991      89.74989 
1 1 1 -1  12 17 o 711.6584 51.75250 13.34639       1.647930  12.95177       1.936713  14.38164       3.136862  702.2730 54.90924 721.0438 87.73973 -18.77075      103.5050 
1 1 1 -1  12 18 o 332.4821 64.47958 3.152962       1.108603  3.580026       1.708137  2.842161       1.457197  350.3620 94.24252 314.6021 88.02735 35.75998       128.9592 
1 1 1 -1  12 19 o 614.0914 44.38761 10.10303       1.351068  9.145717       1.787046  11.38027       2.064174  580.9755 61.70106 647.2073 63.82805 -66.23181      88.77522 
1 1 1 -1  12 20 o 238.1920 50.22093 0.9596707      0.8594962 -0.9815856     1.154985  3.368837       1.286673  137.6650 64.73114 338.7190 76.80135 -201.0540      100.4419 
1 1 1 -1  12 21 f 741.1770 53.27090 15.42058       1.878336  17.81632       3.252359  14.22158       2.300840  770.7841 84.74482 711.5698 64.57143 59.21429       106.5418 
1 1 1 -1  12 22 o 342.6132 70.62094 3.364662       1.153434  2.646178       1.318771  5.703229       2.379226  288.8016 84.69511 396.4247 113.0310 -107.6231      141.2419 
1 1 1 -1  13 1  o 1571.812 45.56761 63.06012       3.406345  63.64657       4.167856  61.88036       5.911460  1583.839 51.97782 1559.784 74.85944 24.05469       91.13522 
1 1 1 -1  13 2  o 1035.105 46.62697 27.34783       2.430024  27.13821       3.470331  27.54950       3.403781  1031.083 66.84048 1039.127 65.02804 -8.043579      93.25394 
1 1 1 -1  13 3  o 820.3372 31.69978 17.12810       1.310418  18.01699       1.861358  16.25460       1.845168  841.5995 43.83748 799.0749 45.80154 42.52466       63.39957 
1 1 1 -1  13 4  o 1440.369 45.50035 54.18788       3.077421  49.29011       5.326561  56.64186       3.770361  1387.563 76.11532 1493.174 49.87569 -105.6108      91.00069 
1 1 1 -1  13 5  o 1049.742 40.83183 28.52660       2.019753  26.96454       3.502034  29.30514       2.472370  1025.571 67.83139 1073.914 45.47369 -48.34387      81.66367 
1 1 1 -1  13 6  o 754.7888 38.53671 14.31257       1.379908  13.79756       1.678754  15.38541       2.422970  735.4048 45.31026 774.1727 62.34815 -38.76782      77.07342 
1 1 1 -1  13 7  o 718.9429 38.22869 13.06559       1.312930  12.72716       1.613741  13.72824       2.258092  706.3776 45.36448 731.5082 61.54507 -25.13068      76.45738 
1 1 1 -1  13 8  o 1272.282 42.40133 41.16933       2.580015  41.55825       4.434497  40.97031       3.172170  1274.763 68.96831 1269.801 49.34433 4.962646       84.80266 
1 1 1 -1  13 9  o 1289.123 32.73115 42.49519       2.090106  43.63881       2.710965  40.81914       3.281909  1311.158 40.83995 1267.089 51.16064 44.06934       65.46230 
1 1 1 -1  13 10 o 1315.916 44.52947 44.80854       2.769699  45.85522       3.393164  42.71885       4.794463  1342.319 49.93045 1289.513 73.74580 52.80615       89.05894 
1 1 1 -1  13 11 o 1378.671 46.24336 49.76053       2.995109  51.66616       3.666163  45.93626       5.193580  1423.488 50.87147 1333.854 77.23916 89.63428       92.48672 
1 1 1 -1  13 12 o 983.2290 41.27271 23.43239       1.710223  22.36968       1.925603  27.40166       3.721478  937.4293 40.57370 1029.029 71.88548 -91.59955      82.54543 
1 1 1 -1  13 13 f 630.2665 51.59863 9.924060       1.502361  9.168884       1.790723  11.71903       2.760787  594.4660 60.33619 666.0670 83.72106 -71.60101      103.1973 
1 1 1 -1  13 14 o 757.4480 44.51368 14.38599       1.636995  17.11012       2.762983  12.91253       2.032046  809.2507 68.07133 705.6452 57.37739 103.6055       89.02737 
1 1 1 -1  13 15 o 313.6301 63.57689 2.635398       1.017667  2.958122       1.767106  2.475252       1.244815  327.0726 98.56693 300.1877 80.32834 26.88492       127.1538 
1 1 1 -1  13 16 o 389.2315 60.38831 4.335018       1.160913  3.340151       1.712446  5.181082       1.579196  342.7032 95.26204 435.7598 74.24377 -93.05655      120.7766 
1 1 1 -1  13 17 o 896.8223 53.97200 23.10760       2.111163  24.87404       2.520459  18.95451       3.864701  974.9210 51.24517 818.7234 95.00442 156.1976       107.9440 
1 1 1 -1  13 18 o 505.3463 48.17487 6.977522       1.183443  6.917895       1.549524  7.060991       1.833328  506.0005 61.76948 504.6920 73.94461 1.308563       96.34975 
1 1 1 -1  13 19 o 216.3356 59.15670 1.000358       0.9232125 0.6459048      1.235605  1.448325       1.389066  195.8911 79.59914 236.7800 87.53306 -40.88895      118.3134 
1 1 1 -1  13 20 o 386.0574 59.39724 4.352473       1.077045  3.989218       1.315379  5.091493       1.876173  369.7527 72.85889 402.3622 93.82810 -32.60956      118.7945 
1 1 1 -1  13 21 o 179.1957 57.73224 -0.4226759     1.163108  -0.8931359     1.641447  0.5174465E-01  1.648342  167.9232 78.37681 190.4682 84.78869 -22.54492      115.4645 
1 1 1 -1  13 22 o 273.1182 70.99511 2.096266       1.113992  1.575428       1.262558  3.926898       2.367011  228.6972 83.62812 317.5392 114.7500 -88.84201      141.9902 
1 1 1 -1  14 1  o 502.7761 46.81184 6.562378       1.117766  4.524649       1.520900  8.955776       1.648295  414.7375 75.20357 590.8147 55.76573 -176.0771      93.62368 
1 1 1 -1  14 2  o 1126.373 46.54147 32.23240       2.654031  0.000000       0.000000  32.23240       2.654031  ?        ?        1126.373 46.54147 ?              ?        
1 1 1 -1  14 3  o 589.5494 38.96282 8.879112       1.083596  9.060497       1.878621  8.788676       1.326501  592.6946 63.60146 586.4044 45.02511 6.290222       77.92564 
1 1 1 -1  14 4  o 819.3920 39.19517 17.24557       1.517702  16.98526       2.632005  17.37525       1.857645  813.1771 64.46007 825.6068 44.60880 -12.42963      78.39034 
1 1 1 -1  14 5  o 1828.510 49.82814 86.30785       4.321274  83.08796       7.494937  87.91119       5.288839  1799.405 82.27264 1857.615 56.23686 -58.20972      99.65627 
1 1 1 -1  14 6  o 2368.240 45.57441 143.0771       5.459810  149.8120       7.726186  136.3590       7.716498  2424.332 62.94910 2312.149 65.92054 112.1821       91.14882 
1 1 1 -1  14 7  o 586.0541 31.61213 8.774966       0.9306001 8.633606       1.323990  8.912992       1.308285  581.2862 45.34823 590.8221 44.05502 -9.535889      63.22426 
1 1 1 -1  14 8  o 939.6891 41.04793 22.58934       1.830339  22.38480       3.166557  22.69197       2.243004  934.3600 67.39294 945.0182 46.88202 -10.65820      82.09586 
1 1 1 -1  14 9  o 1772.613 36.25766 80.15858       3.189873  80.90341       4.133544  79.06192       5.015669  1783.810 45.77098 1761.416 56.24491 22.39392       72.51533 
1 1 1 -1  14 10 o 385.8334 51.57544 3.879696       0.9179721 3.766764       1.115931  4.116055       1.614413  379.3667 60.10601 392.3001 83.82941 -12.93338      103.1509 
1 1 1 -1  14 11 o 613.7916 46.73337 10.13983       1.321722  10.88564       1.635516  8.735797       2.244035  651.1627 49.99300 576.4206 78.97298 74.74207       93.46674 
1 1 1 -1  14 12 o 212.1058 49.66457 0.7384573      0.6349813 0.1486487      0.7679685 2.013077       1.128959  149.2348 61.91299 274.9768 77.67278 -125.7420      99.32914 
1 1 1 -1  14 13 o 1343.803 34.08532 46.15336       2.259704  45.84703       2.884548  46.63998       3.635653  1339.752 42.52748 1347.854 53.27898 -8.101807      68.17064 
1 1 1 -1  14 14 o 333.3441 49.42133 2.941583       0.7983670 2.590795       1.036206  3.454011       1.252391  309.3762 68.01036 357.3119 71.72491 -47.93576      98.84267 
1 1 1 -1  14 15 o 455.6183 64.20068 6.315979       1.274482  6.973528       1.499337  4.603543       2.419591  513.9346 58.67639 397.3020 114.2103 116.6326       128.4014 
1 1 1 -1  14 16 o 507.0593 70.31678 7.574107       1.711935  8.430689       2.253262  6.404558       2.632913  551.3653 83.32010 462.7533 113.2941 88.61203       140.6336 
1 1 1 -1  14 17 o 422.6989 68.59753 5.233302       1.442146  6.163907       2.096319  4.397166       1.987069  461.2108 92.98942 384.1870 100.8734 77.02390       137.1951 
1 1 1 -1  14 18 o 353.4115 66.03177 3.396039       1.219909  5.639167       2.008187  2.084192       1.535743  435.3434 93.87646 271.4796 92.88697 163.8638       132.0635 
1 1 1 -1  14 19 o 651.2096 44.61731 11.83411       1.434659  12.85234       1.959327  10.65719       2.106485  687.0188 56.84252 615.4005 68.78770 71.61835       89.23463 
1 1 1 -1  14 20 o 197.8561 58.81562 0.6298885      0.9945595 0.9687666      1.215093  -0.5798260E-01 1.731176  203.9476 80.23939 191.7646 86.01598 12.18298       117.6312 
1 1 1 -1  14 21 o 303.9388 68.27364 3.133006       1.284216  1.683636       1.905948  4.338152       1.737966  245.1652 99.12892 362.7123 93.90747 -117.5471      136.5473 
1 1 1 -1  15 1  o 1117.568 40.62770 31.60480       2.172028  32.81093       3.752948  30.99732       2.663420  1131.289 65.81062 1103.847 47.65922 27.44153       81.25539 
1 1 1 -1  15 2  o 1591.164 53.00401 64.48487       4.269797  0.000000       0.000000  64.48487       4.269797  ?        ?        1591.164 53.00401 ?              ?        
1 1 1 -1  15 3  o 1929.974 49.73182 94.57236       4.596766  97.48101       7.958154  93.11603       5.631167  1948.901 80.65643 1911.048 58.20272 37.85327       99.46364 
1 1 1 -1  15 4  o 2435.588 56.72473 150.9023       6.612316  155.5723       11.46133  148.5724       8.095412  2458.831 92.07098 2412.345 66.28510 46.48560       113.4495 
1 1 1 -1  15 5  o 1972.206 41.17187 99.05142       4.110731  98.11132       5.816827  99.98934       5.810082  1962.795 58.53661 1981.618 57.91336 -18.82263      82.34374 
1 1 1 -1  15 6  o 820.5383 40.06153 17.49016       1.554438  18.06618       1.918169  16.38825       2.653032  842.1354 45.15509 798.9412 66.18703 43.19427       80.12306 
1 1 1 -1  15 7  o 1676.957 46.47704 71.44704       3.732303  72.66848       6.443987  70.83046       4.578437  1685.607 75.51180 1668.307 54.20728 17.29944       92.95408 
1 1 1 -1  15 8  o 915.9200 33.03043 21.39257       1.526475  21.57105       2.154149  21.21255       2.163403  919.8107 46.40845 912.0294 47.01375 7.781311       66.06086 
1 1 1 -1  15 9  o 1397.913 33.69598 49.77296       2.345203  49.75421       3.051874  49.79999       3.664874  1398.383 43.10789 1397.443 51.80139 0.9404297      67.39195 
1 1 1 -1  15 10 o 827.1313 40.94382 17.10933       1.611088  16.16616       1.957102  19.09216       2.837670  794.4662 48.89546 859.7964 65.68729 -65.33026      81.88764 
1 1 1 -1  15 11 o 640.1193 49.67149 10.53424       1.597119  10.53424       1.597119  0.000000       0.000000  640.1193 49.67149 ?        ?        ?              ?        
1 1 1 -1  15 12 o 709.7247 45.37812 13.52973       1.511100  14.55558       1.890446  11.71441       2.514789  752.2205 49.92406 667.2290 75.79105 84.99146       90.75623 
1 1 1 -1  15 13 o 738.3680 36.79535 14.49727       1.297377  15.58092       1.640938  12.69042       2.118884  779.1872 41.74927 697.5490 60.60189 81.63824       73.59070 
1 1 1 -1  15 14 o 959.2523 34.66629 24.24341       1.620376  25.76272       2.081790  21.90816       2.580950  1001.747 41.04832 916.7578 55.87524 84.98901       69.33258 
1 1 1 -1  15 15 o 711.7081 35.97594 13.41447       1.247769  14.06815       1.607330  12.42309       1.979439  736.9877 43.26831 686.4285 57.48848 50.55914       71.95188 
1 1 1 -1  15 16 o 629.9828 60.08508 10.68753       1.829376  8.721173       2.335710  13.80791       2.942329  556.5875 85.63480 703.3781 84.30627 -146.7906      120.1702 
1 1 1 -1  15 17 o 275.0280 71.27644 1.821664       1.357805  0.7129824      1.856084  3.098039       1.991514  228.4298 95.63261 321.6262 105.7153 -93.19643      142.5529 
1 1 1 -1  15 18 f 365.7659 71.04139 3.358101       1.115163  2.783361       1.230822  5.992286       2.635012  308.0327 78.65108 423.4991 118.3280 -115.4664      142.0828 
1 1 1 -1  15 19 o 527.3602 63.33938 7.761528       1.509599  6.552835       1.777212  10.89306       2.860616  471.2689 77.15909 583.4517 100.4688 -112.1828      126.6788 
1 1 1 -1  15 20 f 433.0734 72.47291 6.651856       1.593411  4.891774       2.490750  7.871210       2.073139  360.1683 118.2179 505.9786 83.86790 -145.8103      144.9458 
1 1 1 -1  15 21 o 444.7377 139.4254 8.996666       3.492568  0.000000       0.000000  8.996666       3.492568  ?        ?        444.7377 139.4254 ?              ?        
1 1 1 -1  16 1  o 715.7211 41.81245 12.61148       1.364860  14.42942       2.599427  11.91953       1.603710  748.2933 69.40542 683.1489 46.64775 65.14441       83.62490 
1 1 1 -1  16 2  o 1102.098 48.56438 31.16678       2.693938  32.09267       3.775525  30.20650       3.845033  1119.197 66.93972 1084.999 70.37806 34.19727       97.12877 
1 1 1 -1  16 3  o 1693.089 46.35770 71.84092       3.778940  77.30443       6.535508  69.09684       4.631717  1738.703 74.24551 1647.475 55.53151 91.22827       92.71539 
1 1 1 -1  16 4  o 1540.476 36.53309 60.35771       2.848156  62.60108       4.049397  58.16135       4.006743  1568.900 50.98134 1512.052 52.34089 56.84827       73.06618 
1 1 1 -1  16 5  o 3031.229 54.48589 235.1371       8.360559  239.5111       11.83370  230.7781       11.81356  3059.654 76.39497 3002.804 77.70878 56.85010       108.9718 
1 1 1 -1  16 6  o 1604.301 45.96280 65.72849       3.529026  65.79012       4.336892  65.60771       6.071406  1607.608 53.28621 1600.993 74.90592 6.614380       91.92561 
1 1 1 -1  16 7  o 746.4794 39.14929 13.69189       1.401442  16.24534       2.450266  12.45046       1.708482  795.2643 61.33169 697.6945 48.67331 97.56976       78.29858 
1 1 1 -1  16 8  o 1320.479 35.46669 44.46899       2.370356  45.69985       3.353401  43.23991       3.350980  1338.874 49.47231 1302.084 50.83341 36.78992       70.93338 
1 1 1 -1  16 9  o 1057.233 40.80801 27.80660       2.075587  31.51270       3.609290  25.97539       2.537064  1105.835 64.75098 1008.631 49.68385 97.20337       81.61601 
1 1 1 -1  16 10 o 1709.552 48.48513 75.33160       3.938882  75.23126       4.806852  75.53665       6.872004  1713.347 55.41557 1705.758 79.57603 7.588623       96.97025 
1 1 1 -1  16 11 o 492.7256 61.15332 6.200486       1.429037  3.697513       1.835502  10.05260       2.277069  367.4141 97.18138 618.0372 74.26099 -250.6230      122.3066 
1 1 1 -1  16 12 o 772.8577 44.58485 15.38215       1.649589  14.93728       2.036155  16.23180       2.813926  759.9251 53.26106 785.7903 71.51570 -25.86523      89.16971 
1 1 1 -1  16 13 o 298.2742 55.71907 2.212317       0.8388273 1.562205       1.034966  3.456967       1.432042  242.8654 75.85930 353.6830 81.63225 -110.8176      111.4381 
1 1 1 -1  16 14 o 747.2334 44.65433 15.39516       1.443115  16.10474       1.693927  13.51699       2.755884  789.2335 42.55134 705.2332 78.52019 84.00031       89.30866 
1 1 1 -1  16 15 o 334.6476 57.00128 2.964346       0.9283794 2.349831       1.150248  4.112793       1.572464  288.9224 77.17515 380.3728 83.90816 -91.45044      114.0026 
1 1 1 -1  16 16 o 280.9752 73.41201 2.104004       1.319010  2.241003       1.559874  1.760275       2.470813  281.1094 93.61635 280.8410 113.1074 0.2684326      146.8240 
1 1 1 -1  16 17 o 532.6841 64.08637 8.339570       1.663545  8.864802       2.443142  7.885568       2.271446  548.0367 91.26501 517.3315 89.99417 30.70526       128.1727 
1 1 1 -1  16 18 o 183.2379 56.25300 0.1600724E-01  0.9616836 -0.5225908     1.238561  0.8336653      1.526057  154.3769 70.62663 212.0989 87.57555 -57.72203      112.5060 
1 1 1 -1  16 19 o 284.8268 65.06557 2.449470       1.043425  1.872537       1.302425  3.483296       1.743467  247.6278 85.50298 322.0257 98.09869 -74.39793      130.1311 
1 1 1 -1  16 20 o 243.7147 66.76382 1.781689       1.152262  1.720015       1.459730  1.883650       1.876887  238.3419 89.40947 249.0875 99.17447 -10.74565      133.5276 
1 1 1 -1  16 21 o 298.4783 84.12062 3.938374       1.900297  3.985177       2.340376  3.847810       3.255551  307.8701 113.6583 289.0865 124.0440 18.78354       168.2412 
1 1 1 -1  17 1  o 1753.847 48.66616 78.47680       4.056146  78.84386       7.087698  78.29803       4.946167  1754.174 79.80844 1753.520 55.71530 0.6540527      97.33233 
1 1 1 -1  17 2  o 2884.791 64.95670 215.1782       8.918449  210.7686       15.42398  217.3930       10.93106  2854.406 106.7326 2915.177 74.06516 -60.77100      129.9134 
1 1 1 -1  17 3  o 2828.354 51.79697 204.6644       7.414874  199.0985       10.48149  210.2404       10.49095  2789.462 74.21964 2867.246 72.27135 -77.78442      103.5939 
1 1 1 -1  17 4  o 809.8027 34.48835 16.74084       1.407315  16.96372       1.995865  16.52045       1.984671  815.2083 48.57966 804.3971 48.96737 10.81116       68.97671 
1 1 1 -1  17 5  o 765.2577 32.95251 14.94639       1.270148  15.51861       1.814645  14.39678       1.778424  779.7236 46.17494 750.7917 47.02497 28.93182       65.90503 
1 1 1 -1  17 6  o 1512.635 37.00603 58.34320       2.833774  59.23174       4.025571  57.47039       3.989790  1524.085 52.17165 1501.185 52.49672 22.90002       74.01207 
1 1 1 -1  17 7  o 465.7036 36.79995 5.614624       0.8470876 4.907698       1.186980  6.348334       1.209257  434.8329 55.15880 496.5743 48.72836 -61.74139      73.59991 
1 1 1 -1  17 8  f 629.2897 33.83725 10.18057       1.067447  10.93956       1.510146  9.422678       1.509050  653.2357 45.95585 605.3436 49.67794 47.89209       67.67450 
1 1 1 -1  17 9  f 502.8799 36.22897 6.546807       0.9078520 6.778237       1.264795  6.300849       1.303891  512.5283 49.35382 493.2315 53.05048 19.29678       72.45795 
1 1 1 -1  17 10 o 179.2575 50.80892 0.4390192      0.6948758 0.7633884      0.8219209 -0.3737532     1.301052  187.1523 67.62080 171.3628 75.85258 15.78947       101.6178 
1 1 1 -1  17 11 o 573.7986 52.37198 9.355538       1.349327  10.86888       1.703730  6.809066       2.210050  647.9056 52.38868 499.6916 90.70128 148.2141       104.7440 
1 1 1 -1  17 12 o 682.3593 46.04655 12.61696       1.461850  13.35567       1.809256  11.22781       2.481060  717.6668 50.11040 647.0516 77.26635 70.61517       92.09311 
1 1 1 -1  17 13 f 248.8624 60.06153 1.483530       0.8023228 1.379028       0.9139647 1.834610       1.675212  227.6523 71.31637 270.0725 96.66190 -42.42023      120.1231 
1 1 1 -1  17 14 o 520.7513 43.81607 7.102924       1.078249  6.728354       1.323139  7.843443       1.860404  504.5847 52.56673 536.9180 70.11513 -32.33325      87.63214 
1 1 1 -1  17 15 o 193.9006 56.48220 0.4500755      0.8355396 0.2796058      1.003965  0.8342012      1.507064  169.3027 70.55956 218.4985 88.21738 -49.19579      112.9644 
1 1 1 -1  17 16 o 230.8836 69.62011 0.8851476      1.174968  1.207981       1.254178  -1.431165      3.359453  222.5887 82.99798 239.1786 111.7997 -16.58992      139.2402 
1 1 1 -1  17 17 o 284.8578 72.14194 2.095225       1.466202  0.2553126      2.025347  4.121241       2.125310  216.1010 95.19777 353.6147 108.4215 -137.5136      144.2839 
1 1 1 -1  17 18 o 481.8820 51.27789 6.889596       1.180812  7.332425       1.552616  6.282053       1.818587  509.7938 61.39139 453.9701 82.15100 55.82370       102.5558 
1 1 1 -1  17 19 o 511.0340 53.62590 7.871439       1.310558  7.844290       1.687226  7.912735       2.080892  520.0002 65.54559 502.0678 84.89242 17.93243       107.2518 
1 1 1 -1  17 20 o 173.7768 55.95295 -0.1395903     1.017333  -0.3183852     1.243767  0.2218363      1.768364  154.8590 70.82072 192.6945 86.64500 -37.83546      111.9059 
1 1 1 -1  18 1  o 826.7360 47.02777 17.62947       1.945346  16.20251       2.765120  19.02792       2.737359  792.6888 69.60618 860.7831 63.25681 -68.09436      94.05553 
1 1 1 -1  18 2  f 1443.915 36.73343 53.11703       2.685203  52.92447       3.805599  53.30796       3.789353  1441.272 52.15471 1446.557 51.74230 -5.285645      73.46686 
1 1 1 -1  18 3  o 1035.436 34.87110 27.34594       1.821168  29.57606       2.598929  25.19440       2.552734  1077.798 47.62921 993.0733 50.94540 84.72491       69.74220 
1 1 1 -1  18 4  o 1965.063 41.52806 98.72300       4.130362  96.26654       5.846668  101.1703       5.835774  1940.399 59.51600 1989.726 57.93240 -49.32703      83.05611 
1 1 1 -1  18 5  o 344.0009 52.96820 2.935768       0.8583207 2.429366       1.043936  3.992370       1.507932  301.5624 69.76381 386.4394 79.72158 -84.87698      105.9364 
1 1 1 -1  18 6  f 299.6487 54.09046 1.980568       0.7921668 3.784762       1.480318  1.256580       0.9377330 375.4655 80.30608 223.8320 72.48480 151.6335       108.1809 
1 1 1 -1  18 7  o 1964.880 51.73185 100.7646       4.828006  97.22872       8.342658  102.5451       5.920076  1931.093 85.33312 1998.667 58.50638 -67.57385      103.4637 
1 1 1 -1  18 8  o 497.3387 37.67104 6.398389       0.9325274 6.151098       1.279874  6.678225       1.361492  487.1212 52.73968 507.5562 53.80478 -20.43494      75.34207 
1 1 1 -1  18 9  o 1041.185 34.28600 27.80599       1.804384  29.61168       2.552243  26.00160       2.551326  1075.426 46.87677 1006.944 50.04686 68.48175       68.57201 
1 1 1 -1  18 10 o 681.6224 41.89053 11.49488       1.350152  10.39237       1.625147  13.95126       2.425758  633.6225 51.09595 729.6223 66.39631 -95.99976      83.78106 
1 1 1 -1  18 11 o 328.6948 56.16614 2.964059       0.9165344 3.089480       1.406797  2.871562       1.208121  333.8831 83.45415 323.5065 75.19272 10.37659       112.3323 
1 1 1 -1  18 12 o 323.5174 53.10057 3.082779       0.8334518 3.536794       1.026845  2.206166       1.426834  363.6929 57.69428 283.3418 89.16308 80.35107       106.2011 
1 1 1 -1  18 13 o 221.9623 60.35965 0.9187205      0.8744200 0.6912591      1.029161  1.509153       1.658115  190.8992 74.20656 253.0254 95.21835 -62.12617      120.7193 
1 1 1 -1  18 14 o 502.5034 56.05630 7.378700       1.182490  7.724511       1.383578  6.441614       2.277583  539.9235 51.22938 465.0833 99.72356 74.84021       112.1126 
1 1 1 -1  18 15 o 295.9269 62.09190 2.468425       0.9621130 2.155792       1.190281  3.057693       1.634134  273.1178 80.56827 318.7361 94.50064 -45.61826      124.1838 
1 1 1 -1  18 16 o 583.8154 51.47940 9.775667       1.433735  12.30595       2.032334  7.268784       2.022914  670.2075 60.55049 497.4233 83.27158 172.7842       102.9588 
1 1 1 -1  18 17 o 186.2945 56.42030 -0.1675545     0.9844800 -1.202769      1.260400  1.452269       1.576620  138.6164 65.90013 233.9726 91.59790 -95.35626      112.8406 
1 1 1 -1  18 18 o 225.4026 61.56081 1.444834       1.032445  1.909407       1.246860  0.4315532      1.841434  246.7101 83.69940 204.0951 90.29587 42.61494       123.1216 
1 1 1 -1  18 19 o 252.2465 55.10822 0.3176286      1.097018  -2.611411      1.403009  4.925492       1.759737  122.3928 60.60632 382.1002 92.05724 -259.7075      110.2164 
1 1 1 -1  18 20 o 217.7194 66.96113 1.235063       1.379067  1.022110       2.073202  1.404070       1.846940  214.5579 95.32346 220.8809 94.06705 -6.322998      133.9223 
1 1 1 -1  19 1  o 1855.412 57.63353 89.04256       5.412457  86.69125       7.644340  91.40625       7.664438  1830.367 82.49319 1880.457 80.50695 -50.08911      115.2671 
1 1 1 -1  19 2  o 1075.349 34.37986 29.53117       1.867971  27.26200       2.630690  31.83878       2.652871  1033.352 50.28493 1117.347 46.89694 -83.99512      68.75971 
1 1 1 -1  19 3  o 1303.379 35.63940 43.37996       2.351230  44.57359       3.359662  42.23415       3.291665  1320.984 50.23591 1285.775 50.56699 35.20947       71.27880 
1 1 1 -1  19 4  o 1370.835 36.37753 48.07062       2.523143  50.12882       3.577166  46.03278       3.559426  1400.310 50.45816 1341.360 52.41444 58.94934       72.75507 
1 1 1 -1  19 5  o 372.5193 63.10822 3.665840       1.147702  3.665840       1.147702  0.000000       0.000000  372.5193 63.10822 ?        ?        ?              ?        
1 1 1 -1  19 6  o 1378.165 44.30506 48.07704       2.920239  51.92113       5.097083  46.19869       3.562967  1413.894 71.43825 1342.437 52.42451 71.45715       88.61012 
1 1 1 -1  19 7  o 1285.809 35.17939 42.37908       2.288421  44.46608       3.252064  40.33202       3.220795  1317.484 48.75622 1254.133 50.72660 63.35120       70.35877 
1 1 1 -1  19 8  o 341.2014 45.65485 3.109135       0.7595822 3.070411       1.060492  3.149930       1.088478  339.0729 64.12667 343.3299 65.00178 -4.256989      91.30970 
1 1 1 -1  19 9  o 633.9172 36.43437 10.51473       1.146784  11.71415       1.585142  9.197569       1.661120  673.7523 46.76074 594.0822 55.88637 79.67004       72.86874 
1 1 1 -1  19 10 o 265.2101 75.58691 1.917014       1.064208  1.917014       1.064208  0.000000       0.000000  265.2101 75.58691 ?        ?        ?              ?        
1 1 1 -1  19 11 o 306.9294 76.88040 1.562985       1.052919  4.666198       3.096767  1.157347       1.119623  393.7235 131.9151 220.1352 78.99862 173.5883       153.7608 
1 1 1 -1  19 12 o 583.7897 36.82686 8.621649       1.034129  7.763300       1.270092  10.30993       1.781255  544.5029 46.51998 623.0765 57.10308 -78.57367      73.65372 
1 1 1 -1  19 13 o 314.6785 59.87985 3.132382       0.9315876 3.502540       1.057367  1.848281       1.969390  358.1146 60.47408 271.2424 103.3696 86.87216       119.7597 
1 1 1 -1  19 14 o 360.1557 63.70033 3.614676       1.062925  3.264748       1.244509  4.558255       2.043608  337.4484 74.80962 382.8629 103.1235 -45.41455      127.4007 
1 1 1 -1  19 15 o 413.5688 64.26744 5.364387       1.192753  5.598471       1.396289  4.732423       2.294221  448.9931 63.17307 378.1446 111.9392 70.84845       128.5349 
1 1 1 -1  19 16 o 450.9462 76.32299 6.972816       1.678079  6.432585       2.843074  7.261639       2.078805  415.4429 124.9850 486.4494 87.63295 -71.00656      152.6460 
1 1 1 -1  19 17 o 356.9479 79.73403 4.806170       1.610398  4.774721       2.194085  4.842897       2.371094  359.0186 110.1757 354.8773 115.2882 4.141327       159.4681 
1 1 1 -1  19 18 o 173.5621 54.93305 -0.3475706     1.120216  0.9337521      1.317747  -3.686445      2.127173  199.3982 81.74567 147.7260 73.40440 51.67223       109.8661 
1 1 1 -1  19 19 o 151.0981 50.45532 -0.6515928     0.9124345 -0.6334752     1.078442  -0.6972312     1.711639  134.8614 63.13551 167.3347 78.72016 -32.47333      100.9106 
1 1 1 -1  20 1  o 846.8605 35.00385 18.41891       1.493020  18.58303       2.076754  18.24335       2.147943  851.0380 48.40059 842.6829 50.58122 8.355103       70.00769 
1 1 1 -1  20 2  o 846.1512 35.15243 18.42599       1.495785  17.25508       2.132964  19.55903       2.098184  819.0644 51.70309 873.2380 47.63995 -54.17365      70.30486 
1 1 1 -1  20 3  o 802.9421 43.95546 16.06047       1.639151  18.44269       3.030002  15.07486       1.948958  840.4385 71.90426 765.4457 50.57772 74.99280       87.91091 
1 1 1 -1  20 4  o 954.4231 34.94750 23.39536       1.681854  25.07667       2.383663  21.72853       2.373371  989.7329 47.57110 919.1133 51.20841 70.61963       69.89500 
1 1 1 -1  20 5  f 530.0174 52.34041 7.785311       1.248316  8.458825       1.536677  6.478429       2.140559  571.2999 53.76171 488.7349 89.82067 82.56503       104.6808 
1 1 1 -1  20 6  o 221.7479 57.48756 1.008044       0.7753670 1.278462       1.475320  0.9048478      0.9113842 243.6046 90.17923 199.8911 71.32310 43.71356       114.9751 
1 1 1 -1  20 7  o 232.6188 49.81745 1.407932       0.6419367 1.714231       0.9366128 1.136585       0.8815576 252.4450 70.55093 212.7926 70.35396 39.65237       99.63490 
1 1 1 -1  20 8  o 508.5460 38.49992 6.773773       0.9719220 7.424208       1.380624  6.134744       1.368467  533.8215 51.73457 483.2705 57.03078 50.55103       76.99984 
1 1 1 -1  20 9  o 574.7360 36.67339 8.628058       1.055282  8.420043       1.470163  8.849151       1.515665  567.5871 51.73029 581.8849 51.99736 -14.29785      73.34677 
1 1 1 -1  20 10 o 437.1447 60.52414 5.118708       1.303548  5.118708       1.303548  0.000000       0.000000  437.1447 60.52414 ?        ?        ?              ?        
1 1 1 -1  20 11 o 691.5712 58.00269 12.72434       1.693774  14.51988       3.510215  12.17939       1.933795  706.2019 101.0613 676.9404 56.95488 29.26154       116.0054 
1 1 1 -1  20 12 o 464.0969 51.51239 6.441483       1.076049  7.672864       1.373495  4.484608       1.731460  537.5178 51.08617 390.6760 89.46679 146.8419       103.0248 
1 1 1 -1  20 13 o 222.4489 58.89033 1.201932       0.9177669 1.608666       1.170272  0.5521505      1.479159  240.6996 81.09085 204.1981 85.41989 36.50151       117.7807 
1 1 1 -1  20 14 o 507.6844 75.50060 8.152197       1.861432  8.813074       2.870232  7.672468       2.445427  520.0587 112.3006 495.3101 100.9452 24.74857       151.0012 
1 1 1 -1  20 15 o 219.2884 87.98203 1.106585       1.488837  1.106585       1.488837  0.000000       0.000000  219.2884 87.98203 ?        ?        ?              ?        
1 1 1 -1  20 16 o 303.1829 78.46442 3.269448       1.527289  4.153382       2.525679  2.759896       1.917620  324.5946 118.3441 281.7713 103.0599 42.82330       156.9288 
1 1 1 -1  20 17 o 269.9848 70.72912 2.546850       1.223895  2.440868       1.456499  2.801479       2.257595  266.9223 90.46296 273.0474 108.7515 -6.125122      141.4582 
1 1 1 -1  20 18 o 403.6193 70.58942 5.151528       1.263211  4.315049       1.438874  7.963606       2.638206  363.7387 80.28522 443.4999 116.1282 -79.76126      141.1788 
1 1 1 -1  20 19 o 280.4161 64.38929 3.134668       1.100843  3.566607       1.356099  2.300018       1.885089  318.7876 83.15504 242.0446 98.33189 76.74298       128.7786 
1 1 1 -1  21 1  o 1732.101 40.15156 77.38417       3.517633  80.85896       4.960900  73.87048       4.988584  1772.035 55.29737 1692.166 58.23052 79.86902       80.30312 
1 1 1 -1  21 2  o 471.1593 41.47247 5.828981       0.9643444 5.437818       1.381685  6.200516       1.346571  454.6853 61.60918 487.6333 55.53532 -32.94806      82.94494 
1 1 1 -1  21 3  o 374.8793 54.82186 3.714845       0.9745886 4.174778       1.631887  3.459856       1.215076  390.8333 84.90265 358.9252 69.37784 31.90814       109.6437 
1 1 1 -1  21 4  o 643.3345 52.19777 10.72322       1.685434  10.72322       1.685434  0.000000       0.000000  643.3345 52.19777 ?        ?        ?              ?        
1 1 1 -1  21 5  f 551.7813 62.04602 9.305920       1.397619  6.210583       2.638414  10.51326       1.647799  466.8539 112.8727 636.7087 51.56144 -169.8549      124.0920 
1 1 1 -1  21 6  o 599.2783 36.61040 9.361012       1.094268  10.41437       1.554206  8.325559       1.540936  633.8996 48.80413 564.6571 54.58426 69.24249       73.22079 
1 1 1 -1  21 7  o 496.3593 40.36751 6.486848       0.9937541 7.029820       1.428309  5.977394       1.383522  517.2682 55.40279 475.4504 58.72541 41.81781       80.73502 
1 1 1 -1  21 8  o 671.2152 35.84416 11.81972       1.203515  10.95145       1.735701  12.62372       1.670239  646.0452 53.55025 696.3853 47.66116 -50.34009      71.68832 
1 1 1 -1  21 9  o 336.5562 56.74201 3.382516       0.9374223 2.489541       1.595823  3.852998       1.158340  296.5114 94.40594 376.6010 62.97731 -80.08957      113.4840 
1 1 1 -1  21 10 o 325.7236 94.01887 3.126344       1.636666  3.126344       1.636666  0.000000       0.000000  325.7236 94.01887 ?        ?        ?              ?        
1 1 1 -1  21 11 o 318.9104 88.34521 3.011223       1.475450  0.000000       0.000000  3.011223       1.475450  ?        ?        318.9104 88.34521 ?              ?        
1 1 1 -1  21 12 o 295.6672 73.01657 2.604539       1.288969  2.582982       2.339152  2.613939       1.544640  296.8287 112.7675 294.5057 92.78560 2.322968       146.0331 
1 1 1 -1  21 13 o 280.7240 69.63843 1.298383       1.077913  0.4248911      1.201880  4.889488       2.436944  183.4401 76.88622 378.0079 116.1316 -194.5678      139.2769 
1 1 1 -1  21 14 o 109.8470 54.31318 -2.235334      1.111498  -2.235334      1.111498  0.000000       0.000000  109.8470 54.31318 ?        ?        ?              ?        
1 1 1 -1  21 15 o 207.1802 78.94324 1.161355       1.148506  1.161355       1.148506  0.000000       0.000000  207.1802 78.94324 ?        ?        ?              ?        
1 1 1 -1  21 16 o 258.4014 73.80716 1.162959       1.624587  5.237279       2.669455  -1.233739      2.047395  343.1739 122.1056 173.6289 82.94703 169.5450       147.6143 
1 1 1 -1  21 17 o 170.8387 55.49164 -0.2086714     1.104463  0.1649168      1.498827  -0.6525601     1.633775  177.3483 79.75443 164.3291 77.17850 13.01913       110.9833 
1 1 1 -1  21 18 o 214.8544 60.08887 1.449787       1.067702  2.279478       1.354544  0.8848122E-01  1.735052  249.8798 87.14475 179.8290 82.75556 70.05074       120.1777 
1 1 1 -1  22 1  o 709.0828 37.09567 13.04999       1.322068  12.92243       1.851721  13.18263       1.888184  705.6160 52.20561 712.5497 52.71556 -6.933716      74.19135 
1 1 1 -1  22 2  o 839.5730 36.34586 18.26730       1.536698  18.13792       2.202849  18.38994       2.144754  836.3309 52.28880 842.8151 50.49719 -6.484192      72.69171 
1 1 1 -1  22 3  o 583.8336 39.60397 8.909836       1.147092  10.32997       1.658608  7.607800       1.588149  629.9073 52.48740 537.7599 59.32090 92.14746       79.20794 
1 1 1 -1  22 4  o 1128.528 47.57770 35.07489       2.484249  38.12919       3.063494  29.20913       4.245442  1214.449 49.82579 1042.607 81.06750 171.8417       95.15540 
1 1 1 -1  22 5  o 419.0222 64.09066 4.487830       1.229227  6.295443       2.304731  3.769216       1.453167  469.5973 100.0068 368.4471 80.18156 101.1502       128.1813 
1 1 1 -1  22 6  o 286.5714 58.16784 2.287574       0.8832995 2.317721       1.339584  2.264384       1.174902  288.1479 85.59057 284.9949 78.79242 3.152985       116.3357 
1 1 1 -1  22 7  o 649.3164 49.51548 11.34758       1.469627  11.23626       1.764871  11.59932       2.654159  652.6362 53.89659 645.9966 83.08002 6.639587       99.03096 
1 1 1 -1  22 8  o 516.8412 39.80644 7.151008       1.021951  6.785932       1.466879  7.495326       1.424565  502.6862 58.74669 530.9963 53.73117 -28.31009      79.61288 
1 1 1 -1  22 9  o 446.9684 53.18139 5.535731       1.109856  5.934359       1.889108  5.325619       1.371509  452.8836 85.52710 441.0533 63.23095 11.83026       106.3628 
1 1 1 -1  22 10 f 250.6056 65.87083 1.649343       1.111290  1.577781       1.499422  1.736560       1.655322  245.4699 90.90428 255.7413 95.35342 -10.27139      131.7417 
1 1 1 -1  22 11 o 219.2110 65.93536 0.2176509      1.270111  1.840569       2.106344  -0.7095883     1.592124  265.7867 105.3017 172.6352 79.38157 93.15157       131.8707 
1 1 1 -1  22 12 o 253.1847 62.97909 1.975598       1.052272  2.511326       1.168901  -0.3142689     2.416633  289.7648 77.96796 216.6047 98.92654 73.16010       125.9582 
1 1 1 -1  22 13 o 282.5335 62.16039 2.580845       0.9928611 2.874470       1.231972  2.036753       1.677030  306.5135 78.91793 258.5535 96.06048 47.96008       124.3208 
1 1 1 -1  22 14 o 351.2343 63.53067 4.580506       1.327595  6.421036       1.692937  1.640894       2.139510  459.3997 75.40617 243.0689 102.2668 216.3309       127.0613 
1 1 1 -1  22 15 o 187.9340 62.70091 -0.4676155     1.193462  -0.8457559     1.331380  1.079116       2.692670  145.8997 68.87504 229.9682 104.7943 -84.06859      125.4018 
1 1 1 -1  22 16 o 231.1320 69.37963 1.725632       1.490482  2.425383       1.734063  -0.2535551     2.916327  254.3253 96.97933 207.9387 99.24284 46.38658       138.7593 
1 1 1 -1  22 17 o 191.0182 62.55492 0.1537606      1.479491  1.064281       1.721855  -2.414944      2.892069  203.3649 88.72446 178.6715 88.20682 24.69337       125.1098 
1 1 1 -1  23 1  o 1292.274 37.31450 43.48435       2.438926  40.96738       3.415899  46.10181       3.483416  1253.400 53.83090 1331.147 51.68870 -77.74719      74.62901 
1 1 1 -1  23 2  o 871.2753 36.27547 19.83531       1.591302  18.84542       2.251437  20.82344       2.249447  848.7625 52.65487 893.7880 49.91095 -45.02557      72.55093 
1 1 1 -1  23 3  o 501.1251 44.23668 6.751952       1.084408  7.863322       1.545000  5.672832       1.522419  544.8036 56.85257 457.4465 67.78878 87.35718       88.47335 
1 1 1 -1  23 4  o 219.1916 44.25830 0.4199502      0.8117128 -2.724320      1.220503  2.913711       1.086941  113.6614 56.32638 324.7217 68.28269 -211.0603      88.51659 
1 1 1 -1  23 5  o 393.2012 66.29874 4.823530       1.253302  3.536139       2.279530  5.381301       1.500437  343.6212 113.1092 442.7813 69.19827 -99.16006      132.5975 
1 1 1 -1  23 6  o 443.3340 60.04916 5.810236       1.224350  5.065739       2.096431  6.195606       1.508301  409.7677 101.5660 476.9003 64.09329 -67.13257      120.0983 
1 1 1 -1  23 7  o 198.0816 51.31159 -0.3755451     0.7329556 2.489507       1.437511  -1.382059      0.8520298 291.4987 89.13354 104.6644 50.85992 186.8344       102.6232 
1 1 1 -1  23 8  o 288.1378 59.30079 2.753889       1.030342  3.565134       1.180871  0.1664967      2.108908  355.7615 68.04271 220.5141 97.14178 135.2474       118.6016 
1 1 1 -1  23 9  o 218.8830 76.45817 1.290803       1.042899  1.290803       1.042899  0.000000       0.000000  218.8830 76.45817 ?        ?        ?              ?        
1 1 1 -1  23 10 o 178.5394 54.01681 0.2565793      0.8745474 -0.2528610     1.397794  0.5842817      1.121080  171.8118 77.16294 185.2670 75.61180 -13.45523      108.0336 
1 1 1 -1  23 11 f 151.9393 49.84542 -0.6714052     0.8972715 -1.815160      1.637484  -0.1806232     1.072642  151.3484 72.79431 152.5303 68.11205 -1.181839      99.69084 
1 1 1 -1  23 12 o 363.8002 58.76168 4.132760       1.054901  4.161179       1.422253  4.098006       1.572791  369.0005 78.54257 358.6000 87.42313 10.40054       117.5234 
1 1 1 -1  23 13 o 183.7161 56.01144 0.4594486      0.9501040 0.8107970      1.174882  -0.2045555     1.615142  190.3533 77.51403 177.0788 80.87460 13.27449       112.0229 
1 1 1 -1  23 14 o 210.3365 64.76643 1.016411       1.108232  1.002347       1.230517  1.076805       2.549994  195.8044 79.48235 224.8687 102.2806 -29.06435      129.5329 
1 1 1 -1  23 15 o 205.8139 64.72414 0.9438286      1.295372  0.9211785      1.567636  0.9925871      2.300032  197.8400 85.49157 213.7879 97.20107 -15.94781      129.4483 
1 1 1 -1  23 16 o 222.0170 67.63815 1.673299       1.479901  2.425052       1.702322  -0.6528370     2.994480  246.7814 95.57435 197.2525 95.73515 49.52885       135.2763 
1 1 1 -1  23 17 o 276.6223 77.17889 3.817154       1.471471  3.417487       1.649450  5.375089       3.256602  279.3367 96.23508 273.9077 120.6861 5.428986       154.3578 
1 1 1 -1  24 1  o 634.5171 40.03286 10.66800       1.259561  8.861317       1.710263  12.80941       1.861968  574.0193 59.72543 695.0149 53.32346 -120.9955      80.06571 
1 1 1 -1  24 2  o 465.2803 47.58051 5.989738       1.069681  4.828285       1.505163  7.174929       1.520467  414.6790 74.42997 515.8817 59.29417 -101.2027      95.16101 
1 1 1 -1  24 3  o 482.7666 57.89150 6.775105       1.259976  7.027606       1.532982  6.249387       2.211981  509.1872 60.66093 456.3459 98.62025 52.84131       115.7830 
1 1 1 -1  24 4  o 365.5817 75.21611 3.811970       1.345685  0.000000       0.000000  3.811970       1.345685  ?        ?        365.5817 75.21611 ?              ?        
1 1 1 -1  24 5  o 204.8788 58.44360 0.7643351      0.9442669 1.258487       1.092358  -0.6965299     1.878191  219.7303 78.11780 190.0273 86.94956 29.70306       116.8872 
1 1 1 -1  24 6  o 601.1259 57.68365 10.35997       1.579079  10.23823       1.912070  10.62110       2.800319  610.3369 62.77500 591.9150 96.79316 18.42188       115.3673 
1 1 1 -1  24 7  o 588.4331 40.70000 9.460629       1.195323  9.235317       1.718626  9.671745       1.663601  580.2744 59.33582 596.5918 55.72451 -16.31738      81.40001 
1 1 1 -1  24 8  o 448.3713 54.37361 5.550105       1.116279  6.907307       2.028638  4.960698       1.336873  477.7749 87.07658 418.9678 65.14312 58.80716       108.7472 
1 1 1 -1  24 9  o 150.1330 66.55332 -0.1117223     1.005195  -0.1117223     1.005195  0.000000       0.000000  150.1330 66.55332 ?        ?        ?              ?        
1 1 1 -1  24 10 o 234.4096 53.64792 0.6120005      0.8659763 3.627221       1.512654  -0.8579967     1.056181  337.5197 87.71855 131.2995 61.78879 206.2202       107.2958 
1 1 1 -1  24 11 f 213.9926 59.33852 1.187503       0.9818975 0.2817701      1.609415  1.724518       1.239257  191.2453 84.52299 236.7399 83.30727 -45.49458      118.6770 
1 1 1 -1  24 12 o 263.0123 71.21377 2.284524       1.202992  3.158894       2.388136  1.987207       1.392582  281.5177 111.9376 244.5070 88.06573 37.01071       142.4275 
1 1 1 -1  24 13 o 320.1573 69.61488 4.057165       1.199173  4.112271       1.354532  3.857430       2.578794  353.7769 77.74834 286.5377 115.4994 67.23917       139.2298 
1 1 1 -1  24 14 o 448.7574 74.41635 8.664539       1.595899  9.099581       1.863957  7.469850       3.088858  535.1199 70.51979 362.3951 131.0654 172.7248       148.8327 
1 1 1 -1  24 15 o 162.6584 56.05679 -0.9829437     1.284696  -0.7223819     1.449319  -1.938419      2.775354  148.8774 70.74556 176.4394 86.97425 -27.56198      112.1136 
1 1 1 -1  24 16 o 279.1199 79.93258 3.997747       1.559109  3.211189       1.767668  6.753452       3.308654  262.0541 98.37267 296.1857 126.0146 -34.13156      159.8652 
1 1 1 -1  25 1  o 568.0580 67.20817 9.700451       1.828090  9.372996       2.354216  10.19778       2.901289  565.0933 84.91496 571.0226 104.1979 -5.929260      134.4163 
1 1 1 -1  25 2  o 382.9616 75.33715 4.247540       1.408622  0.000000       0.000000  4.247540       1.408622  ?        ?        382.9616 75.33715 ?              ?        
1 1 1 -1  25 3  o 430.7600 67.41047 5.236681       1.421895  5.236681       1.421895  0.000000       0.000000  430.7600 67.41047 ?        ?        ?              ?        
1 1 1 -1  25 4  o 418.8970 75.78365 6.020269       1.670902  4.265837       2.577065  7.292749       2.194737  349.7137 120.3001 488.0804 92.19833 -138.3667      151.5673 
1 1 1 -1  25 5  f 219.0585 56.08797 1.142593       0.8865391 2.080166       1.204584  0.3461061E-01  1.309486  263.3111 81.77341 174.8059 76.78899 88.50517       112.1759 
1 1 1 -1  25 6  o 161.8302 51.20913 -0.4182810     0.9070277 -1.399992      1.331045  0.4327923      1.239323  139.8440 66.82735 183.8164 77.61188 -43.97238      102.4183 
1 1 1 -1  25 7  o 239.1116 58.89010 1.671791       0.8662558 1.865750       1.335594  1.530950       1.138109  248.6428 86.54322 229.5805 79.89021 19.06229       117.7802 
1 1 1 -1  25 8  o 204.4457 48.58443 0.8197774      0.7902621 -1.274892      1.233660  2.277484       1.029136  134.4984 64.29048 274.3931 72.85960 -139.8947      97.16886 
1 1 1 -1  25 9  o 305.7251 65.70292 3.405411       1.143458  3.839729       1.306991  1.988316       2.360847  354.3058 75.19090 257.1445 107.7675 97.16132       131.4058 
1 1 1 -1  25 10 o 275.1252 56.62900 1.732471       0.9411409 4.864992       1.653915  0.2324247      1.144507  384.0459 87.07145 166.2045 72.42885 217.8414       113.2580 
1 1 1 -1  25 11 o 152.3369 48.65286 -0.1622510     0.7926938 -0.5150540     1.045742  0.3142806      1.215358  135.2586 62.93881 169.4153 74.20989 -34.15675      97.30572 
1 1 1 -1  25 12 o 196.6626 58.22084 1.066682       0.9729252 1.025420       1.361853  1.109694       1.390441  194.8675 81.76811 198.4578 82.90140 -3.590286      116.4417 
1 1 1 -1  25 13 o 277.5432 60.07304 2.991393       1.042058  4.163156       1.400411  1.537665       1.559830  343.4033 81.73114 211.6831 88.06306 131.7202       120.1461 
1 1 1 -1  25 14 o 217.4735 64.05863 1.809075       1.156941  2.010498       1.319118  1.137677       2.408350  229.0803 85.17859 205.8667 95.70078 23.21362       128.1173 
1 1 1 -1  25 15 f 252.0276 70.28572 3.155930       1.306917  3.062628       1.587839  3.351902       2.301207  259.7141 93.96429 244.3410 104.5516 15.37305       140.5714 
1 1 1 -1  26 1  o 182.5877 57.82315 -0.1006967     1.098441  -0.2476358     1.495936  0.7122349E-01  1.618109  175.3334 79.18473 189.8419 84.28431 -14.50858      115.6463 
1 1 1 -1  26 2  o 176.9228 56.43294 -0.1880449     1.024021  -0.2904764     1.272632  0.7562109E-04  1.724662  161.3669 72.94195 192.4787 86.12886 -31.11172      112.8659 
1 1 1 -1  26 3  o 281.8384 68.14646 2.345417       1.123205  1.745496       1.374454  3.551491       1.948813  242.3865 87.46462 321.2904 104.5261 -78.90390      136.2929 
1 1 1 -1  26 4  o 287.9079 58.67383 0.3523935      0.9702180 6.729058       2.232933  -1.131660      1.077218  449.3810 100.6482 126.4348 60.33588 322.9462       117.3477 
1 1 1 -1  26 5  o 250.5095 71.10120 1.698794       1.163373  2.170363       2.724882  1.593675       1.286522  268.9068 114.3825 232.1121 84.48771 36.79469       142.2024 
1 1 1 -1  26 6  o 213.6840 59.23460 0.9809599      1.002051  2.081920       1.439493  -0.5410121E-01 1.395747  254.9331 89.77742 172.4350 77.29789 82.49817       118.4692 
1 1 1 -1  26 7  o 220.9531 55.96964 1.230616       0.9397432 -0.3769894     1.409227  2.517977       1.261076  163.4324 74.97715 278.4738 83.11935 -115.0414      111.9393 
1 1 1 -1  26 8  o 245.1539 89.12598 1.990994       1.431027  1.990994       1.431027  0.000000       0.000000  245.1539 89.12598 ?        ?        ?              ?        
1 1 1 -1  26 9  o 242.2505 70.73047 1.527282       1.471118  -0.6956677E-01 1.914795  3.827743       2.298254  186.7442 86.29366 297.7567 112.0919 -111.0126      141.4609 
1 1 1 -1  26 10 o 161.4649 51.49962 0.9692652E-01  0.8847123 -0.3793201     1.480098  0.3616799      1.103558  159.6573 74.48733 163.2724 71.13705 -3.615128      102.9992 
1 1 1 -1  26 11 o 267.4495 59.15088 2.511273       0.9498278 1.385792       1.251304  4.041402       1.459009  203.7894 81.02809 331.1096 86.19602 -127.3202      118.3018 
1 1 1 -1  26 12 f 155.5289 50.13241 -0.4337806E-01 0.8986698 0.6384757      1.246547  -0.7812734     1.296762  172.7094 75.41701 138.3483 66.07050 34.36116       100.2648 
1 1 1 -1  26 13 o 255.2994 64.78870 2.806419       1.075311  3.261449       1.540937  2.374508       1.501279  274.5743 93.04826 236.0246 90.17938 38.54973       129.5774 
1 1 1 -1  26 14 o 185.9484 55.46103 1.086060       0.9871172 1.943777       1.268038  -0.2331711     1.572609  216.6519 82.85453 155.2449 73.74844 61.40701       110.9221 
1 1 1 -1  27 1  o 589.1096 57.78366 10.97362       1.525025  11.43519       1.868967  10.05404       2.638039  634.1684 58.88420 544.0508 99.44073 90.11755       115.5673 
1 1 1 -1  27 2  o 274.2750 89.30830 2.516909       1.422556  2.516909       1.422556  0.000000       0.000000  274.2750 89.30830 ?        ?        ?              ?        
1 1 1 -1  27 3  o 123.1084 43.63446 -2.880122      0.9613191 -2.078524      1.703689  -3.254553      1.164390  146.7578 71.45227 99.45886 50.10428 47.29898       87.26893 
1 1 1 -1  27 4  o 270.0281 59.82999 2.440101       0.9341842 1.878088       1.374616  2.922433       1.273448  240.8508 87.38373 299.2054 81.74715 -58.35455      119.6600 
1 1 1 -1  27 5  o 188.1864 58.81215 0.2913606      1.142421  1.009430       1.502590  -0.6923890     1.758731  205.4411 86.03007 170.9317 80.21412 34.50940       117.6243 
1 1 1 -1  27 6  o 215.3015 58.61122 1.063367       1.142528  2.622816       1.402076  -2.018880      1.971149  273.1650 88.64925 157.4381 76.69687 115.7269       117.2224 
1 1 1 -1  27 7  o 193.3159 64.55186 -0.4452636     1.700183  -1.915204      2.578896  0.6847752      2.261157  178.0934 86.97140 208.5384 95.41357 -30.44498      129.1037 
1 1 1 -1  27 8  o 254.7655 106.4483 2.906321       2.293263  2.906321       2.293263  0.000000       0.000000  254.7655 106.4483 ?        ?        ?              ?        
1 1 1 -1  27 9  o 152.5813 50.98830 -0.3366688     0.9432411 -0.9081861     1.887359  -0.1463989     1.088992  161.7001 77.86494 143.4626 65.85041 18.23755       101.9766 
1 1 1 -1  27 10 o 233.5134 71.09562 2.428900       1.437294  1.861598       1.742679  3.635697       2.541719  215.2714 91.51844 251.7554 108.8243 -36.48401      142.1912 
1 1 1 -1  27 11 o 235.5103 63.87373 2.390685       1.052170  2.192506       1.353860  2.692935       1.671970  229.9850 86.13914 241.0355 94.33694 -11.05054      127.7475 
1 1 1 -1  27 12 o 175.8678 55.23540 0.8162645      0.9833388 0.9829699      1.419567  0.6624826      1.363433  181.0242 79.72488 170.7115 76.47054 10.31270       110.4708 
1 1 1 -1  27 13 o 215.2300 64.70010 2.419012       1.371098  3.334660       1.710314  0.7722191      2.293670  249.8053 96.06005 180.6546 86.69994 69.15067       129.4002 
1 1 1 -1  28 1  o 247.7310 75.11858 2.041355       1.537684  1.494127       1.809360  3.464307       2.917670  221.9389 93.74660 273.5230 117.4001 -51.58409      150.2372 
1 1 1 -1  28 2  o 182.5866 57.85085 0.3502414      1.100852  0.7526248      1.337106  -0.4963876     1.939512  187.5848 79.96600 177.5884 83.62011 9.996368       115.7017 
1 1 1 -1  28 3  o 315.0520 78.97838 4.666515       1.712467  3.180768       2.738408  5.620677       2.194505  264.3065 113.5984 365.7974 109.7531 -101.4908      157.9568 
1 1 1 -1  28 4  o 147.2616 67.21819 -0.1597492     1.113727  -0.1597492     1.113727  0.000000       0.000000  147.2616 67.21819 ?        ?        ?              ?        
1 1 1 -1  28 5  o 176.2648 58.12189 -0.8496811E-01 1.221245  -0.3941352     1.537639  0.4432808      2.009911  160.2912 75.15109 192.2384 88.68444 -31.94720      116.2438 
1 1 1 -1  28 6  o 177.0190 58.14821 0.1465452      1.099018  -0.1392227     1.278283  0.9564704      2.152002  152.9258 70.61031 201.1121 92.40694 -48.18626      116.2964 
1 1 1 -1  28 7  o 217.1523 67.17738 1.716392       1.274189  1.261474       1.491722  2.943939       2.450418  196.3092 84.09312 237.9954 104.7833 -41.68619      134.3548 
1 1 1 -1  28 8  o 255.5824 97.11816 3.139167       1.735198  3.139167       1.735198  0.000000       0.000000  255.5824 97.11816 ?        ?        ?              ?        
1 1 1 -1  28 9  o 248.8532 101.8900 3.447339       2.043959  3.447339       2.043959  0.000000       0.000000  248.8532 101.8900 ?        ?        ?              ?        
1 1 1 -1  28 10 o 195.6534 85.43073 1.519228       1.599335  0.000000       0.000000  1.519228       1.599335  ?        ?        195.6534 85.43073 ?              ?        
1 1 1 -1  28 11 o 176.9929 57.28387 0.7943174      1.126147  1.819650       1.791618  0.1246245      1.447941  198.7731 88.44787 155.2127 72.81993 43.56033       114.5677 
1 1 1 -1  28 12 o 132.7881 45.53368 -0.7217033     0.9605856 -0.3004617     1.295690  -1.235784      1.431367  137.9074 65.91080 127.6687 62.84132 10.23870       91.06736 
1 1 1 -1  29 1  o 338.6592 82.83167 6.217214       1.720038  5.896903       2.103633  6.863306       2.987659  356.2674 107.5838 321.0510 125.9764 35.21637       165.6633 
1 1 1 -1  29 2  o 227.1195 62.79859 2.179825       1.239394  -0.1766342     2.329997  3.109684       1.463640  180.7689 86.91771 273.4702 90.66401 -92.70131      125.5972 
1 1 1 -1  29 3  o 244.9860 66.37345 2.809290       1.289236  3.697984       1.630671  1.327660       2.105524  288.9720 95.69253 200.9999 92.00369 87.97206       132.7469 
1 1 1 -1  29 4  o 197.7165 58.88531 1.370302       0.9765576 1.077177       1.234323  1.860824       1.596731  183.7700 77.51628 211.6631 88.66309 -27.89308      117.7706 
1 1 1 -1  29 5  o 265.1905 70.96400 3.672998       1.310629  3.675338       1.714114  3.669704       2.033582  273.9474 97.80653 256.4336 102.8467 17.51379       141.9280 
1 1 1 -1  29 6  f 167.5623 56.38628 0.1739173      1.247553  0.1625375      1.507162  0.1986832      2.223412  159.9458 74.80191 175.1787 84.39386 -15.23289      112.7726 
1 1 1 -1  29 7  o 195.3429 86.12009 1.616502       1.660673  1.616502       1.660673  0.000000       0.000000  195.3429 86.12009 ?        ?        ?              ?        
1 1 1 -1  29 8  o 168.0116 55.21791 0.5646217      1.157682  -1.821552      2.654105  1.125280       1.286518  157.6901 78.91663 178.3331 77.25436 -20.64302      110.4358 
1 1 1 -1  29 9  o 208.2990 58.26977 2.122956       1.144213  -0.7927920     2.371687  3.007492       1.306291  159.6332 79.00260 256.9648 85.67412 -97.33160      116.5395 
1 1 1 -1  29 10 o 149.3438 50.51907 -0.3418249E-02 1.075529  -0.1045862     1.664464  0.6910367E-01  1.409249  150.8417 72.75470 147.8459 70.11035 2.995834       101.0381 
1 1 1 -1  29 11 o 138.4220 48.50185 -0.6804396     1.095529  -0.9226071     1.275663  0.1477827E-04  2.138344  122.4064 60.06561 154.4376 76.16980 -32.03118      97.00369 
1 1 1 -1  30 1  o 143.8901 49.54375 -0.8217545     1.157801  -0.3713221     1.668187  -1.240383      1.608216  151.1770 72.89674 136.6031 67.11482 14.57387       99.08750 
1 1 1 -1  30 2  o 140.7070 66.85822 -0.2739438     1.293970  0.000000       0.000000  -0.2739438     1.293970  ?        ?        140.7070 66.85822 ?              ?        
1 1 1 -1  30 3  o 144.3130 48.29313 -0.1090214     0.9116730 -0.1683705     1.158728  -0.1258419E-01 1.477056  137.3548 64.66270 151.2711 71.74705 -13.91626      96.58625 
1 1 1 -1  30 4  o 144.5654 48.19589 -0.9070069E-01 0.9387089 0.4431488      1.155478  -1.126957      1.609852  152.4486 69.15122 136.6821 67.15269 15.76649       96.39178 
1 1 1 -1  30 5  o 187.4160 59.84548 1.502095       1.206536  0.7963077      1.619506  2.382451       1.808734  168.6478 78.42518 206.1842 90.41801 -37.53642      119.6910 
1 1 1 -1  30 6  o 200.2769 64.46922 2.367196       1.429250  2.326885       1.764623  2.444072       2.436896  203.8434 89.35213 196.7104 92.95866 7.133057       128.9384 
1 1 1 -1  30 7  o 153.4027 52.19490 0.6987782E-01  1.175786  -0.1433496     1.545049  0.3632796      1.812391  146.6814 70.58852 160.1239 76.90575 -13.44247      104.3898 
1 1 1 -1  30 8  o 182.6940 79.20428 1.594228       1.354360  0.000000       0.000000  1.594228       1.354360  ?        ?        182.6940 79.20428 ?              ?        
1 1 1 -1  30 9  o 137.9641 47.98032 -0.4435154     1.113209  -0.3078164     1.925004  -0.5116966     1.364507  145.5489 71.87492 130.3792 63.58019 15.16969       95.96064 
1 1 1 -1  31 1  o 215.0257 69.72092 3.804220       1.740117  6.024037       2.600167  2.003557       2.341848  247.3635 108.4447 182.6878 87.65714 64.67578       139.4418 
1 1 1 -1  31 2  o 151.3799 51.26568 0.8282164E-01  1.066461  1.292821       1.733249  -0.6543595     1.352868  172.4247 80.49826 130.3351 63.50362 42.08965       102.5314 
1 1 1 -1  31 3  o 215.3058 64.52374 3.048528       1.253829  2.337454       1.815157  3.697430       1.733989  193.5166 87.32670 237.0951 95.01208 -43.57848      129.0475 
1 1 1 -1  31 4  o 240.0476 68.80099 4.072991       1.299490  4.314492       1.968807  3.886563       1.729814  238.3764 99.03282 241.7188 95.53430 -3.342407      137.6020 
1 1 1 -1  31 5  o 187.7916 60.50418 2.015571       1.174357  3.454262       2.154057  1.407103       1.400851  203.6505 93.15858 171.9327 77.23018 31.71774       121.0084 
1 1 1 -1  31 6  o 168.3043 56.89055 1.463816       1.319417  2.155058       2.228753  1.090852       1.637117  175.5626 84.55840 161.0461 76.13157 14.51654       113.7811 
1 1 1 -1  31 7  o 164.0641 55.02940 1.492383       1.295284  0.3014591      2.215284  2.111039       1.596657  149.3742 74.33485 178.7541 81.16199 -29.37993      110.0588 
1 1 1 -1  32 1  o 162.1957 55.26462 1.615104       1.365762  1.211744       2.496392  1.787407       1.631596  156.2932 77.95940 168.0983 78.35207 -11.80511      110.5292 
1 1 1 -1  32 2  o 133.0522 45.71418 -0.6353135     1.027126  1.430454       1.409846  -2.971985      1.499443  161.9316 74.54845 104.1728 52.93083 57.75872       91.42835 
1 1 1 -1  32 3  f 132.0956 45.63549 -0.1844981     1.037205  0.6719455      1.370032  -1.334476      1.587545  143.9093 68.50014 120.2819 60.31686 23.62742       91.27099 
1 1 1 -1  32 4  o 122.7948 43.23580 -0.7885196     1.067680  -0.4306684     1.371215  -1.339560      1.701555  124.0209 61.13486 121.5686 61.15444 2.452232       86.47160 
1 1 1 -1  32 5  o 164.0317 55.94017 1.965829       1.269540  4.419803       2.211203  0.7591400      1.550570  186.6351 88.30476 141.4283 68.69849 45.20676       111.8803 
1 1 1 0   0  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0   0  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0   0  3  o 14367.41 220.2412 5240.975       226.3157  5240.975       226.3157  5240.975       226.3157  14367.41 311.4681 14367.41 311.4681 -0.000000      0.000000 
1 1 1 0   0  4  o 6186.727 97.95210 970.7471       43.33926  970.7471       43.33926  970.7471       43.33926  6186.727 138.5252 6186.727 138.5252 0.000000       0.000000 
1 1 1 0   0  5  o 4411.787 72.42658 493.7087       22.84979  493.7087       22.84979  493.7087       22.84979  4411.787 102.4267 4411.787 102.4267 0.000000       0.000000 
1 1 1 0   0  6  o 868.3057 31.39143 19.24123       1.939919  19.24123       1.939919  19.24123       1.939919  868.3057 44.39419 868.3057 44.39419 0.000000       0.000000 
1 1 1 0   0  7  o ?        ?        89.40316       5.367264  89.40316       5.367264  89.40316       5.367264  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 0   0  8  o 1285.484 34.60157 42.07175       3.174169  42.07175       3.174169  42.07175       3.174169  1285.484 48.93401 1285.484 48.93401 0.000000       0.000000 
1 1 1 0   0  9  o 2573.045 48.27095 168.1763       8.878515  168.1763       8.878515  168.1763       8.878515  2573.045 68.26543 2573.045 68.26543 0.000000       0.000000 
1 1 1 0   0  10 o 723.4185 45.77205 13.58847       2.327110  13.58847       2.327110  13.58847       2.327110  723.4185 64.73145 723.4185 64.73145 0.000000       0.000000 
1 1 1 0   0  11 o 2194.764 44.02916 122.6410       6.906141  122.6410       6.906141  122.6410       6.906141  2194.764 62.26663 2194.764 62.26663 0.000000       0.000000 
1 1 1 0   0  12 o 1104.818 34.08077 31.12866       2.684194  31.12866       2.684194  31.12866       2.684194  1104.818 48.19748 1104.818 48.19748 0.000000       0.000000 
1 1 1 0   0  13 o 209.3870 58.09705 1.529549       0.8344559 1.529549       0.8344559 1.529549       0.8344559 209.3870 82.16164 209.3870 82.16164 0.000000       0.000000 
1 1 1 0   0  14 o 1794.960 40.17624 82.10596       5.151529  82.10596       5.151529  82.10596       5.151529  1794.960 56.81778 1794.960 56.81778 -0.000000      0.000000 
1 1 1 0   0  15 o 210.6564 75.38622 1.680384       1.414436  1.680384       1.414436  1.680384       1.414436  210.6564 106.6122 210.6564 106.6122 0.000000       0.000000 
1 1 1 0   0  16 o 1068.597 36.08797 29.26661       2.746700  29.26661       2.746700  29.26661       2.746700  1068.597 51.03610 1068.597 51.03610 -0.000000      0.000000 
1 1 1 0   0  17 o 850.1340 36.94032 18.66202       2.229014  18.66202       2.229014  18.66202       2.229014  850.1340 52.24150 850.1340 52.24150 -0.000000      0.000000 
1 1 1 0   0  18 o 133.7023 57.68575 0.4383823      1.044049  0.4383823      1.044049  0.4383823      1.044049  133.7023 81.57996 133.7023 81.57996 0.000000       0.000000 
1 1 1 0   0  19 o 453.7900 86.07695 6.610685       2.416775  6.610685       2.416775  6.610685       2.416775  453.7900 121.7312 453.7900 121.7312 -0.000000      0.000000 
1 1 1 0   0  20 o 741.5485 54.17315 15.05982       2.805903  15.05982       2.805903  15.05982       2.805903  741.5485 76.61240 741.5485 76.61240 -0.000000      0.000000 
1 1 1 0   0  21 o 843.0442 57.18468 19.87492       3.378712  19.87492       3.378712  19.87492       3.378712  843.0442 80.87135 843.0442 80.87135 -0.000000      0.000000 
1 1 1 0   0  22 o 210.4530 84.56951 2.136843       1.980949  2.136843       1.980949  2.136843       1.980949  210.4530 119.5993 210.4530 119.5993 0.000000       0.000000 
1 1 1 0   0  23 o 177.7882 78.58468 1.348180       2.052899  1.348180       2.052899  1.348180       2.052899  177.7882 111.1355 177.7882 111.1355 -0.000000      0.000000 
1 1 1 0   0  24 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0   1  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0   1  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0   1  3  o 3946.505 65.82522 394.3706       13.15185  395.7101       18.59966  393.0312       18.59938  3953.209 92.93335 3939.801 93.24821 13.40771       131.6504 
1 1 1 0   1  4  o 8127.015 155.3360 1679.758       60.17164  1688.474       73.69626  1662.328       104.2165  8161.583 178.3559 8092.446 254.3742 69.13672       310.6719 
1 1 1 0   1  5  o 4084.189 95.35493 422.5615       19.71663  0.000000       0.000000  422.5615       19.71663  ?        ?        4084.189 95.35493 ?              ?        
1 1 1 0   1  6  o 820.0204 30.99025 17.08984       1.281140  17.72547       1.810646  16.45258       1.812968  835.3983 42.95646 804.6425 44.68026 30.75580       61.98050 
1 1 1 0   1  7  o ?        ?        340.5763       11.51353  335.4251       16.28149  345.7289       16.28369  ?        ?        ?        ?        ?              ?        
1 1 1 0   1  8  o 2128.719 42.80655 115.1366       4.613143  116.2607       6.524592  114.0129       6.523349  2139.146 60.24613 2118.291 60.82769 20.85547       85.61311 
1 1 1 0   1  9  o 1012.246 40.61955 26.36352       1.939805  26.98791       2.374453  25.11058       3.363565  1031.976 45.44754 992.5162 67.33730 39.45990       81.23910 
1 1 1 0   1  10 o 1484.628 44.71972 56.04395       3.166025  55.79732       5.485870  56.16711       3.876812  1481.335 73.14904 1487.922 51.46487 -6.587524      89.43945 
1 1 1 0   1  11 o 854.0870 32.40113 18.58227       1.395066  19.28714       1.972866  17.87732       1.972977  870.4376 44.92204 837.7365 46.70486 32.70105       64.80227 
1 1 1 0   1  12 o 2209.354 44.19584 124.1812       4.941511  128.4274       6.998879  119.9603       6.977871  2247.188 61.51848 2171.521 63.47099 75.66675       88.39169 
1 1 1 0   1  13 o 654.4191 34.03621 10.92556       1.118882  10.81625       1.548405  11.04500       1.618604  651.0675 47.29893 657.7706 48.95574 -6.703064      68.07241 
1 1 1 0   1  14 o 256.2608 54.34047 1.721330       0.7404832 1.868213       0.8980469 1.409374       1.308757  265.4993 66.85295 247.0224 85.68681 18.47690       108.6809 
1 1 1 0   1  15 o 1417.093 45.72391 51.67219       3.076370  50.65689       5.322549  52.18152       3.769853  1403.114 75.20149 1431.072 52.03306 -27.95728      91.44782 
1 1 1 0   1  16 o 994.2834 35.24184 25.25054       1.767621  27.15519       2.521958  23.41140       2.478205  1032.069 48.26645 956.4978 51.36436 75.57129       70.48367 
1 1 1 0   1  17 o 1075.830 36.19048 29.64545       1.970258  28.95347       2.805454  30.31891       2.767661  1063.212 52.11943 1088.448 50.22519 -25.23584      72.38097 
1 1 1 0   1  18 o 882.8143 37.17742 20.13691       1.654077  20.01163       2.337404  20.26258       2.341037  880.0110 52.70670 885.6175 52.44660 -5.606445      74.35484 
1 1 1 0   1  19 o 1380.907 55.51003 50.82534       3.863721  51.42228       5.540326  50.26015       5.390987  1388.237 79.15733 1373.577 77.84325 14.65955       111.0201 
1 1 1 0   1  20 o 616.0970 55.77328 10.37608       1.680635  11.98918       2.393453  8.807159       2.360445  667.6645 71.94438 564.5295 85.24459 103.1350       111.5466 
1 1 1 0   1  21 o 665.5735 51.08097 12.61388       1.545020  13.76545       1.913351  10.45588       2.619231  722.6666 52.65886 608.4805 87.54488 114.1862       102.1619 
1 1 1 0   1  22 o 705.4470 40.87147 13.40030       1.446005  12.98629       2.003251  13.85069       2.089388  694.2328 57.51426 716.6613 58.08631 -22.42853      81.74294 
1 1 1 0   1  23 o 263.4262 62.74990 2.033959       0.9951699 2.231027       1.335273  1.787718       1.492598  274.0459 86.25758 252.8066 91.15829 21.23932       125.4998 
1 1 1 0   1  24 o 524.2694 80.46429 9.784496       2.086660  11.72688       2.789927  7.318440       3.143592  613.7285 92.67814 434.8102 131.5628 178.9183       160.9286 
1 1 1 0   2  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0   2  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0   2  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0   2  3  o 13364.04 247.1941 4504.237       158.2598  4652.298       274.1200  4430.211       193.8257  13518.45 400.5255 13209.62 289.8260 308.8281       494.3883 
1 1 1 0   2  4  o 5904.136 113.0945 873.6785       32.03926  853.5887       39.24060  913.8539       55.49173  5804.519 133.5321 6003.752 182.5668 -199.2339      226.1890 
1 1 1 0   2  5  f 2728.258 70.35101 188.5080       9.717160  0.000000       0.000000  188.5080       9.717160  ?        ?        2728.258 70.35101 ?              ?        
1 1 1 0   2  6  o 822.2915 37.78429 17.04900       1.476983  16.71655       1.804376  17.72409       2.571231  810.9769 44.11349 833.6061 61.35643 -22.62915      75.56859 
1 1 1 0   2  7  o ?        ?        207.8661       7.477610  207.3117       10.57608  208.4202       10.57379  ?        ?        ?        ?        ?              ?        
1 1 1 0   2  8  o 446.3729 32.19611 5.105329       0.7166955 5.380461       1.020376  4.837427       1.006880  458.4825 44.52091 434.2633 46.52147 24.21924       64.39222 
1 1 1 0   2  9  o 644.0498 39.68883 10.78947       1.190520  11.15094       1.455590  10.05906       2.069148  661.9347 43.68061 626.1649 66.27834 35.76978       79.37766 
1 1 1 0   2  10 o 2157.351 61.25011 118.2132       6.689771  0.000000       0.000000  118.2132       6.689771  ?        ?        2157.351 61.25011 ?              ?        
1 1 1 0   2  11 o 559.8184 32.78356 8.011013       0.9206799 8.176847       1.312959  7.850584       1.291385  565.5702 46.25926 554.0667 46.46641 11.50354       65.56712 
1 1 1 0   2  12 o 620.0233 33.41103 9.813187       1.040839  9.705427       1.463996  9.923326       1.480072  616.5604 47.26062 623.4863 47.24005 -6.925964      66.82207 
1 1 1 0   2  13 o 1610.387 38.08741 65.88813       3.105009  66.93594       4.398021  64.84684       4.384302  1623.190 53.51856 1597.584 54.20671 25.60535       76.17482 
1 1 1 0   2  14 o 1285.968 43.59409 41.87118       2.688893  41.14227       3.306451  43.29459       4.620505  1271.838 51.35076 1300.098 70.46190 -28.26050      87.18819 
1 1 1 0   2  15 o 946.5721 49.00474 22.87529       2.340373  0.000000       0.000000  22.87529       2.340373  ?        ?        946.5721 49.00474 ?              ?        
1 1 1 0   2  16 o 970.0109 43.00451 23.35904       1.988844  26.72591       3.514470  21.77284       2.412262  1017.876 68.59953 922.1453 51.88117 95.73108       86.00902 
1 1 1 0   2  17 o 367.8775 61.73558 3.745008       1.024764  3.356224       2.047029  3.875026       1.183777  352.6905 106.0419 383.0645 63.24744 -30.37408      123.4712 
1 1 1 0   2  18 o 474.3039 53.22684 5.884193       1.144457  5.659813       1.369811  6.402882       2.082679  464.0580 59.68850 484.5498 88.14573 -20.49182      106.4537 
1 1 1 0   2  19 o 586.7372 48.91798 8.753984       1.365262  7.821258       1.670365  10.63110       2.369627  544.1682 61.72279 629.3062 75.90898 -85.13800      97.83597 
1 1 1 0   2  20 o 787.1289 48.49742 16.50445       1.808491  16.65974       3.097476  16.42414       2.227604  783.1873 79.20826 791.0705 55.98260 -7.883240      96.99484 
1 1 1 0   2  21 o 751.4403 39.46254 14.92533       1.488107  16.12030       2.157314  13.84061       2.055386  780.7233 54.92986 722.1573 56.67343 58.56598       78.92507 
1 1 1 0   2  22 o 216.9868 60.02277 1.017024       0.9599739 1.216019       1.277364  0.7587751      1.455163  223.2069 83.65654 210.7667 86.09595 12.44020       120.0455 
1 1 1 0   2  23 o 521.2174 47.65444 7.605840       1.226933  7.283388       1.731016  7.931387       1.739304  508.8442 68.97182 533.5906 65.77743 -24.74634      95.30888 
1 1 1 0   2  24 o 257.5248 70.67673 1.957362       1.352532  2.522276       1.560459  0.2511712      2.711908  281.6379 93.62633 233.4116 105.9005 48.22627       141.3535 
1 1 1 0   3  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0   3  2  o 27685.44 860.9996 19875.63       1206.808  19875.63       1206.808  0.000000       0.000000  27685.44 860.9996 ?        ?        ?              ?        
1 1 1 0   3  3  o 9415.959 178.3271 2249.169       80.14825  2252.185       138.8258  2247.661       98.15941  9416.778 291.1953 9415.141 205.9309 1.637695       356.6542 
1 1 1 0   3  4  o 3980.724 81.72511 403.0732       15.49704  406.3417       18.98205  396.5405       26.83563  4005.540 93.60483 3955.908 133.9930 49.63232       163.4502 
1 1 1 0   3  5  o 4044.138 95.52029 414.5321       19.55714  0.000000       0.000000  414.5321       19.55714  ?        ?        4044.138 95.52029 ?              ?        
1 1 1 0   3  6  o 1709.948 47.77856 75.57169       3.870752  77.35474       4.738896  71.99751       6.709403  1743.335 53.69240 1676.562 79.04612 66.77234       95.55712 
1 1 1 0   3  7  o ?        ?        63.84369       2.960839  64.33485       4.189816  63.35374       4.184708  ?        ?        ?        ?        ?              ?        
1 1 1 0   3  8  o 901.8365 31.49497 20.65203       1.433796  21.84773       2.036404  19.47656       2.019094  928.3788 43.32664 875.2942 45.72236 53.08459       62.98994 
1 1 1 0   3  9  o 2849.057 65.07424 211.8135       8.727621  222.1317       10.69808  191.2806       15.09141  2958.139 71.43377 2739.975 108.7927 218.1636       130.1485 
1 1 1 0   3  10 o 1435.673 50.74476 52.30991       3.688334  0.000000       0.000000  52.30991       3.688334  ?        ?        1435.673 50.74476 ?              ?        
1 1 1 0   3  11 o 328.3950 50.07366 3.150111       0.7626563 3.674263       0.9188566 1.989379       1.367368  377.1169 49.30763 279.6732 87.16791 97.44370       100.1473 
1 1 1 0   3  12 o 740.6194 32.99007 13.97823       1.230476  13.71807       1.742358  14.23708       1.737962  733.6644 47.15886 747.5745 46.14564 -13.91010      65.98013 
1 1 1 0   3  13 o 3165.790 69.37225 257.3302       10.46687  255.5347       18.12574  258.2284       12.82045  3150.783 113.6302 3180.796 79.61292 -30.01318      138.7445 
1 1 1 0   3  14 o 1553.328 53.59972 61.73835       4.214491  60.28934       5.935223  63.21201       5.985476  1534.817 76.38300 1571.840 75.21540 -37.02246      107.1994 
1 1 1 0   3  15 o 721.8359 72.03010 13.49015       2.597154  0.000000       0.000000  13.49015       2.597154  ?        ?        721.8359 72.03010 ?              ?        
1 1 1 0   3  16 f 919.5332 44.55143 22.16397       1.931830  22.97548       2.381186  20.60133       3.304275  947.6384 49.80732 891.4280 73.88199 56.21033       89.10285 
1 1 1 0   3  17 o 610.6153 38.09959 9.609061       1.163469  9.221233       1.586295  10.06060       1.711630  597.4200 52.99718 623.8105 54.75048 -26.39050      76.19919 
1 1 1 0   3  18 o 302.0844 54.16297 2.378854       0.8809230 3.822894       1.312903  1.196384       1.188058  376.6416 71.46711 227.5272 81.40615 149.1144       108.3259 
1 1 1 0   3  19 o 250.5208 65.02417 1.279826       0.9583002 1.048142       1.101204  2.002752       1.945210  214.8983 78.17467 286.1432 103.9293 -71.24486      130.0483 
1 1 1 0   3  20 o 352.0452 63.86451 3.818521       1.171242  2.162684       2.024192  4.651928       1.436057  291.2745 105.9838 412.8159 71.28914 -121.5413      127.7290 
1 1 1 0   3  21 o 364.4515 56.63872 3.891792       1.052320  5.598422       1.475209  2.123669       1.501551  452.8928 66.30266 276.0103 91.84627 176.8825       113.2774 
1 1 1 0   3  22 f 668.6918 41.83954 12.10458       1.400441  11.42620       1.947159  12.83152       2.015661  648.5895 59.97825 688.7941 58.35064 -40.20459      83.67908 
1 1 1 0   3  23 o 624.1948 45.59147 10.84214       1.406715  12.23300       1.986165  9.442210       1.992641  668.9515 59.25913 579.4382 69.30141 89.51331       91.18295 
1 1 1 0   4  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0   4  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0   4  2  o 18918.65 412.4360 9176.604       395.0176  9260.010       558.6381  9093.196       558.6404  19005.73 580.5804 18831.56 585.9523 174.1660       824.8719 
1 1 1 0   4  3  o 4016.413 66.89231 408.5284       13.60130  404.3088       19.23718  412.7461       19.23310  3995.666 95.09737 4037.160 94.10001 -41.49390      133.7846 
1 1 1 0   4  4  o 4983.137 96.57800 621.4467       23.10985  604.8542       28.30436  654.6270       40.02551  4885.710 114.4305 5080.564 155.6113 -194.8545      193.1560 
1 1 1 0   4  5  o 2391.255 55.41571 144.1139       6.340426  147.5651       10.99014  142.3922       7.762511  2412.006 89.99972 2370.504 64.68118 41.50220       110.8314 
1 1 1 0   4  6  o ?        ?        45.77847       2.673597  42.84954       3.265947  51.72917       4.655210  ?        ?        ?        ?        ?              ?        
1 1 1 0   4  7  o ?        ?        69.26555       3.139089  69.29455       4.439598  69.23656       4.439086  ?        ?        ?        ?        ?              ?        
1 1 1 0   4  8  o 1156.848 33.09490 33.92298       1.938252  34.20559       2.741625  33.64059       2.740581  1161.671 46.61667 1152.025 46.98911 9.646118       66.18980 
1 1 1 0   4  9  f 782.1996 39.18241 15.72300       1.446741  15.98069       1.774038  15.21135       2.499782  792.8493 44.37472 771.5500 64.59047 21.29932       78.36481 
1 1 1 0   4  10 o 2359.588 54.42189 139.2119       6.173084  150.4210       10.72162  133.6534       7.550078  2426.990 87.25871 2292.185 65.06062 134.8052       108.8438 
1 1 1 0   4  11 o 1757.355 55.69869 78.91544       4.955313  79.86472       7.020934  77.97321       6.994881  1767.954 78.44049 1746.755 79.09782 21.19836       111.3974 
1 1 1 0   4  12 o 2377.301 56.76216 144.3519       6.435799  144.7034       7.884230  143.6500       11.14143  2384.756 65.30278 2369.845 92.86182 14.91089       113.5243 
1 1 1 0   4  13 o 193.6934 49.95771 0.5932606      0.6632760 0.5682832E-01  0.8708003 1.334549       1.023658  154.5561 65.14645 232.8306 75.75640 -78.27446      99.91543 
1 1 1 0   4  14 f 1772.124 39.83458 80.00903       3.573208  81.88137       5.058939  78.14506       5.047639  1792.934 55.73290 1751.314 56.92994 41.62000       79.66915 
1 1 1 0   4  15 o 978.7008 44.93229 25.48007       2.046773  22.04137       3.517286  27.24073       2.516791  923.1745 75.92892 1034.227 48.06707 -111.0526      89.86459 
1 1 1 0   4  16 o 1457.517 46.85664 54.93733       3.243448  55.53011       3.977764  53.76133       5.602728  1474.045 53.30213 1440.989 77.07829 33.05615       93.71328 
1 1 1 0   4  17 o 1033.864 42.82871 27.12484       2.119032  26.06514       2.594042  29.25030       3.673762  1007.081 51.04472 1060.648 68.78684 -53.56732      85.65742 
1 1 1 0   4  18 o 936.8436 35.91584 22.68165       1.696374  23.28099       2.390358  22.07353       2.407809  949.6805 49.89143 924.0066 51.67820 25.67395       71.83168 
1 1 1 0   4  19 o 843.9585 38.09924 18.61716       1.612838  16.97906       2.298069  20.20720       2.264104  805.8417 56.68977 882.0753 50.91638 -76.23358      76.19848 
1 1 1 0   4  20 o 270.5003 62.98327 2.025081       1.078975  0.4195516      1.909248  2.778450       1.307847  226.6502 96.04874 314.3503 81.49973 -87.70012      125.9665 
1 1 1 0   4  21 o 348.0763 66.95943 3.539164       1.199817  3.276681       1.574045  3.903172       1.853626  334.5257 90.67210 361.6268 98.55371 -27.10114      133.9189 
1 1 1 0   4  22 o 564.9635 46.57470 8.820187       1.306563  9.155835       1.871050  8.500745       1.825318  575.9253 65.32612 554.0016 66.40261 21.92365       93.14939 
1 1 1 0   4  23 o 265.6454 65.16402 0.2220199      1.185422  -1.523350      1.383575  5.040027       2.298756  142.2650 68.02572 389.0258 111.1661 -246.7608      130.3280 
1 1 1 0   5  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0   5  2  o 5757.995 129.4624 840.8085       37.72329  812.1613       53.34599  869.4617       53.35160  5659.713 186.1760 5856.276 179.9460 -196.5630      258.9248 
1 1 1 0   5  3  f 4904.053 112.1906 609.8572       27.84989  597.0234       39.38288  622.6945       39.38851  4852.355 160.3139 4955.750 156.9916 -103.3955      224.3812 
1 1 1 0   5  4  o 3515.289 73.17668 311.8023       12.30845  317.7312       21.30917  308.8337       15.07815  3539.424 118.9188 3491.154 85.30907 48.26953       146.3534 
1 1 1 0   5  5  o 4349.605 87.15029 479.6092       18.15839  496.8823       31.46202  470.9815       22.23558  4400.903 141.2086 4298.308 102.1803 102.5952       174.3006 
1 1 1 0   5  6  o ?        ?        121.0979       5.530906  120.0562       6.767521  123.1931       9.598067  ?        ?        ?        ?        ?              ?        
1 1 1 0   5  7  o 2160.335 43.12342 118.8053       4.715976  120.7682       6.668100  116.8409       6.670696  2178.292 60.46478 2142.379 61.50227 35.91235       86.24685 
1 1 1 0   5  8  o 1178.697 40.60364 35.24644       2.279919  35.42097       3.945073  35.15892       2.793688  1179.594 66.32924 1177.801 46.85139 1.793701       81.20728 
1 1 1 0   5  9  o 2066.647 50.04550 106.8931       4.963666  113.4644       8.620164  103.6334       6.071197  2112.401 80.60381 2020.893 59.33998 91.50818       100.0910 
1 1 1 0   5  10 o 1540.915 52.42540 60.56395       4.088193  58.55544       5.777645  62.57793       5.785521  1515.142 75.32062 1566.689 72.94173 -51.54675      104.8508 
1 1 1 0   5  11 o 3035.933 67.70158 237.8384       9.770706  240.5953       11.96417  232.3179       16.93030  3069.627 76.98629 3002.239 111.3873 67.38867       135.4032 
1 1 1 0   5  12 o 1865.139 40.41651 88.41837       3.815851  86.59734       5.391388  90.24622       5.401484  1845.825 57.69344 1884.453 56.61664 -38.62842      80.83302 
1 1 1 0   5  13 o 222.2547 47.00283 1.256271       0.5900661 0.7921892      0.8501524 1.687642       0.8196426 191.9204 68.84227 252.5889 64.01411 -60.66844      94.00566 
1 1 1 0   5  14 o 1117.696 43.48830 32.61596       2.294343  29.96946       3.931234  33.98302       2.825449  1079.648 72.34062 1155.744 48.28833 -76.09631      86.97660 
1 1 1 0   5  15 o 1447.509 46.09534 54.07885       3.174519  52.66971       5.460032  54.79844       3.901767  1429.280 75.72617 1465.737 52.58012 -36.45776      92.19069 
1 1 1 0   5  16 o 321.2430 55.35722 2.876905       0.8707190 3.185771       1.074051  2.284728       1.487189  347.0250 63.47271 295.4611 90.71331 51.56390       110.7144 
1 1 1 0   5  17 o 442.1992 46.26370 5.287094       0.9633223 3.577060       1.357590  7.021288       1.367147  364.0495 76.10850 520.3488 52.61955 -156.2993      92.52740 
1 1 1 0   5  18 o 328.1630 60.18138 3.163561       1.079451  4.284651       1.383271  1.417684       1.726211  398.8031 71.11992 257.5229 97.10381 141.2803       120.3628 
1 1 1 0   5  19 o 492.6437 53.53673 6.372150       1.240378  7.369912       2.126739  5.857791       1.526982  517.6789 84.02762 467.6085 66.36327 50.07040       107.0735 
1 1 1 0   5  20 o 671.1348 57.73792 13.53193       1.657100  9.423420       2.865665  15.59592       2.031126  570.8397 102.9453 771.4299 52.31568 -200.5903      115.4758 
1 1 1 0   5  21 o 743.2249 49.50017 15.06182       1.776993  14.90090       2.243763  15.33258       2.910433  745.1950 59.98144 741.2547 78.76099 3.940308       99.00034 
1 1 1 0   5  22 o 629.4388 43.35942 10.89669       1.353046  9.770570       1.946490  11.94956       1.882126  594.0496 65.82776 664.8279 56.45232 -70.77832      86.71884 
1 1 1 0   5  23 o 236.5994 61.68143 1.387413       1.119867  2.448139       1.375365  -0.6991811     1.929015  283.7654 87.25517 189.4334 87.20627 94.33197       123.3629 
1 1 1 0   6  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0   6  1  o 3323.876 114.8394 279.8815       19.32500  279.8815       19.32500  0.000000       0.000000  3323.876 114.8394 ?        ?        ?              ?        
1 1 1 0   6  2  o 7793.451 172.1671 1544.117       67.92783  1528.979       96.06430  1559.255       96.06463  7755.084 244.6763 7831.817 242.2799 -76.73291      344.3341 
1 1 1 0   6  3  o 1687.659 49.50524 72.11933       4.229798  72.11933       4.229798  0.000000       0.000000  1687.659 49.50524 ?        ?        ?              ?        
1 1 1 0   6  4  o 1649.625 33.77645 69.51109       2.753763  66.14973       4.341605  71.77357       3.561934  1615.843 53.07224 1683.406 41.79393 -67.56274      67.55291 
1 1 1 0   6  5  o ?        ?        124.6437       5.669378  124.2094       9.823739  124.8606       6.942098  ?        ?        ?        ?        ?              ?        
1 1 1 0   6  6  o ?        ?        106.3435       6.112053  114.2374       8.651507  98.47795       8.636010  ?        ?        ?        ?        ?              ?        
1 1 1 0   6  7  o 1981.465 48.97728 97.90685       4.662904  94.10137       5.700462  105.6019       8.106062  1925.445 58.47839 2037.486 78.58356 -112.0410      97.95457 
1 1 1 0   6  8  o 2845.224 73.11687 205.5391       10.53217  205.5391       10.53217  0.000000       0.000000  2845.224 73.11687 ?        ?        ?              ?        
1 1 1 0   6  9  o 1062.980 40.44806 29.43996       2.028090  26.70298       3.470022  30.85995       2.499426  1022.813 67.38948 1103.147 44.75311 -80.33362      80.89612 
1 1 1 0   6  10 o 2665.202 59.03533 179.7065       7.542520  188.0270       13.07876  175.5603       9.232467  2706.584 95.44680 2623.820 69.50243 82.76392       118.0707 
1 1 1 0   6  11 o 2398.375 55.16552 144.7306       6.345694  140.4598       7.759648  153.3536       11.02584  2348.714 65.25716 2448.035 88.96315 -99.32104      110.3310 
1 1 1 0   6  12 o 638.9781 33.31778 10.41204       1.069776  10.81756       1.536467  10.03048       1.490369  651.1305 46.92370 626.8257 47.31242 24.30475       66.63557 
1 1 1 0   6  13 o 1067.999 42.70846 29.21045       2.143641  29.38907       2.603026  28.83404       3.778749  1075.449 47.80848 1060.548 70.78417 14.90186       85.41692 
1 1 1 0   6  14 o 3064.368 68.07709 242.3609       9.960969  244.4276       17.23678  241.3246       12.20536  3063.297 111.1433 3065.440 78.64554 -2.143066      136.1542 
1 1 1 0   6  15 o 1123.702 44.65601 33.54123       2.357221  29.04738       3.996720  35.93820       2.918952  1059.987 74.95990 1187.417 48.55566 -127.4299      89.31203 
1 1 1 0   6  16 o 914.7034 44.43420 22.25461       1.899375  23.62712       2.340185  19.60511       3.251431  961.7818 48.06070 867.6250 74.75133 94.15680       88.86839 
1 1 1 0   6  17 o 1518.279 38.80346 59.35428       2.982114  57.87623       4.206047  60.84832       4.228737  1499.016 55.42223 1537.542 54.32504 -38.52576      77.60692 
1 1 1 0   6  18 o 686.4611 50.97894 12.51684       1.604883  12.51487       1.933487  12.52118       2.877704  692.8722 55.58742 680.0499 85.47192 12.82227       101.9579 
1 1 1 0   6  19 o 325.8563 67.68747 2.977715       1.132140  2.897171       2.076183  3.011801       1.350613  323.3707 108.0139 328.3419 81.60496 -4.971161      135.3749 
1 1 1 0   6  20 o 834.9634 44.87241 17.97445       1.804534  20.76934       3.101637  16.54432       2.218695  877.8035 70.38467 792.1234 55.67884 85.68005       89.74483 
1 1 1 0   6  21 o 641.3330 51.17997 11.00269       1.596054  9.619020       2.014103  13.33815       2.616691  591.3454 68.54669 691.3206 76.01914 -99.97522      102.3599 
1 1 1 0   6  22 o 234.0147 62.86381 1.367951       1.028798  1.615479       1.498315  1.147145       1.415128  245.2440 90.86079 222.7854 86.90081 22.45857       125.7276 
1 1 1 0   6  23 o 289.4283 71.86571 2.627542       1.220464  2.774202       1.375263  2.083873       2.647873  300.6363 86.01050 278.2204 115.1560 22.41586       143.7314 
1 1 1 0   7  1  o 2623.565 68.47486 174.4136       9.094844  172.9645       12.86267  175.8624       12.86143  2612.656 97.24456 2634.474 96.42989 -21.81763      136.9497 
1 1 1 0   7  2  o 2957.046 74.43075 221.8246       11.13680  213.3405       15.74403  230.3212       15.75560  2900.335 107.2221 3013.757 103.2626 -113.4221      148.8615 
1 1 1 0   7  3  o 3342.819 115.8676 284.0697       19.60914  284.0697       19.60914  0.000000       0.000000  3342.819 115.8676 ?        ?        ?              ?        
1 1 1 0   7  4  o 4558.680 126.9447 642.2716       29.29158  654.8911       41.42256  629.6497       41.42655  4613.413 177.3499 4503.948 181.6777 109.4648       253.8893 
1 1 1 0   7  5  o ?        ?        359.6166       14.01749  370.6289       17.16673  337.5833       24.28218  ?        ?        ?        ?        ?              ?        
1 1 1 0   7  6  o 3101.547 78.62867 248.2173       12.34633  246.8007       17.45698  249.6350       17.46372  3092.534 111.4990 3110.561 110.8956 -18.02710      157.2573 
1 1 1 0   7  7  o 3413.566 59.22335 296.5044       10.21946  315.3333       14.45576  277.6925       14.44925  3522.466 81.06076 3304.667 86.36420 217.7981       118.4467 
1 1 1 0   7  8  o 3295.189 69.26463 274.1691       10.93694  269.2897       13.39529  283.9263       18.94241  3254.727 81.29316 3335.651 112.1685 -80.92383      138.5293 
1 1 1 0   7  9  o 2894.702 63.94549 213.3114       8.854811  216.6997       15.31322  211.6093       10.85332  2907.458 104.0326 2881.947 74.38628 25.51123       127.8910 
1 1 1 0   7  10 o 1889.656 40.36308 90.87682       3.860636  88.52237       5.448784  93.25034       5.470809  1864.966 57.70920 1914.346 56.44786 -49.38013      80.72616 
1 1 1 0   7  11 o 2676.536 59.45952 179.5479       7.647390  172.4044       9.350327  193.9806       13.29063  2601.176 71.00247 2751.896 95.39594 -150.7202      118.9190 
1 1 1 0   7  12 o 2166.141 43.28112 119.3928       4.745367  122.4466       6.716153  116.3483       6.705782  2193.937 60.46622 2138.346 61.94236 55.59082       86.56223 
1 1 1 0   7  13 o 775.7294 42.50648 15.81342       1.542730  16.59051       1.898687  14.30363       2.646522  806.5773 46.69665 744.8815 71.03960 61.69574       85.01295 
1 1 1 0   7  14 o 750.2045 45.52245 15.08195       1.582318  12.82692       2.692398  16.27176       1.955701  702.5298 76.95834 797.8792 48.64758 -95.34937      91.04489 
1 1 1 0   7  15 o 707.5208 35.83706 12.83918       1.274994  12.58448       1.800304  13.09547       1.805939  700.3627 51.12698 714.6788 50.23159 -14.31610      71.67413 
1 1 1 0   7  16 o 398.0883 57.09281 4.167114       1.036787  4.028942       1.240080  4.487990       1.889771  390.4495 65.02043 405.7271 93.86533 -15.27759      114.1856 
1 1 1 0   7  17 o 1284.480 37.13774 42.49736       2.414238  43.45839       3.400048  41.52010       3.428629  1299.476 51.68126 1269.485 53.34692 29.99133       74.27548 
1 1 1 0   7  18 o 379.4316 64.75230 4.000120       1.125624  3.998240       1.312214  4.005355       2.190032  384.4060 70.00576 374.4573 108.9524 9.948639       129.5046 
1 1 1 0   7  19 o 770.0066 49.21862 15.87603       1.769266  15.79970       3.095438  15.91306       2.156190  760.9455 81.62451 779.0677 55.02116 -18.12225      98.43723 
1 1 1 0   7  20 o 778.3360 49.04623 16.88209       1.766293  14.81584       3.011017  17.96615       2.180960  730.1093 82.93086 826.5627 52.38894 -96.45349      98.09245 
1 1 1 0   7  21 o 228.6472 62.93456 0.9940631      1.024651  0.4864202      1.279649  1.901121       1.710523  192.4838 79.89316 264.8106 97.26314 -72.32678      125.8691 
1 1 1 0   7  22 o 368.2423 64.14758 4.113930       1.186716  3.600636       1.597127  4.746629       1.773188  342.2505 90.71182 394.2341 90.72492 -51.98361      128.2952 
1 1 1 0   7  23 o 226.5883 67.56287 0.6770089      1.341590  -0.2491742     1.760398  1.960171       2.072063  189.6433 85.75031 263.5334 104.4311 -73.89012      135.1257 
1 1 1 0   8  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 0   8  1  o 2580.627 67.89263 169.1050       8.869964  167.8308       12.54538  170.3786       12.54267  2570.875 96.38715 2590.378 95.64075 -19.50317      135.7853 
1 1 1 0   8  2  o 3993.666 95.19251 409.2238       19.24553  403.7956       27.21181  414.6564       27.22276  3966.818 135.4976 4020.513 133.7418 -53.69458      190.3850 
1 1 1 0   8  3  o ?        ?        229.7985       11.50328  241.1925       16.27292  218.4179       16.26328  ?        ?        ?        ?        ?              ?        
1 1 1 0   8  4  o ?        ?        28.15355       1.748895  29.50229       2.471210  26.80022       2.475415  ?        ?        ?        ?        ?              ?        
1 1 1 0   8  5  o 831.8919 38.13436 17.49999       1.511846  16.95040       1.847256  18.61495       2.631087  814.1369 44.99192 849.6469 61.58446 -35.51001      76.26872 
1 1 1 0   8  6  o 2206.920 54.19588 124.5976       5.685616  126.1103       6.959031  121.5607       9.860250  2228.879 61.67066 2184.960 89.13756 43.91919       108.3918 
1 1 1 0   8  7  o 1627.268 37.38894 67.14246       3.080195  67.51072       4.352412  66.77296       4.359705  1631.748 52.68577 1622.788 53.06543 8.959595       74.77787 
1 1 1 0   8  8  o 1262.434 42.96183 41.20575       2.560769  42.51739       3.140727  38.60455       4.422908  1294.707 47.91537 1230.160 71.32314 64.54712       85.92365 
1 1 1 0   8  9  o 2272.670 54.38646 132.4585       5.893304  130.2625       10.17577  133.5668       7.229094  2254.988 89.13313 2290.352 62.34448 -35.36328      108.7729 
1 1 1 0   8  10 o 4002.592 84.53281 419.4208       16.02229  428.9160       19.61890  400.4053       27.76366  4087.664 94.80164 3917.520 139.9851 170.1436       169.0656 
1 1 1 0   8  11 o 2338.988 45.56163 139.2708       5.392816  134.2447       7.616063  144.3247       7.637167  2296.444 65.50750 2381.532 63.34207 -85.08813      91.12327 
1 1 1 0   8  12 o 1162.456 34.29428 34.33113       2.017909  35.13279       2.856505  33.53255       2.851013  1176.047 47.97628 1148.864 49.01702 27.18298       68.58857 
1 1 1 0   8  13 o 247.1027 51.49332 1.698272       0.7774962 2.440818       0.9191694 -0.1691221     1.457646  303.8648 61.85220 190.3406 82.34410 113.5242       102.9866 
1 1 1 0   8  14 o 985.6055 34.10997 24.74993       1.702024  24.86198       2.410890  24.63860       2.403180  987.8336 48.20697 983.3774 48.27057 4.456238       68.21994 
1 1 1 0   8  15 f 1415.670 37.22279 51.21590       2.666511  49.07201       3.745759  53.41860       3.796789  1385.440 53.40335 1445.901 51.86739 -60.46094      74.44558 
1 1 1 0   8  16 o 1226.941 36.43486 38.62220       2.261425  36.87414       3.198061  40.37043       3.198213  1198.798 52.69350 1255.083 50.33280 -56.28516      72.86971 
1 1 1 0   8  17 o 982.2759 36.38127 24.90838       1.801503  23.58777       2.506994  26.31841       2.590476  955.0803 52.04405 1009.471 50.85081 -54.39105      72.76254 
1 1 1 0   8  18 o 916.6605 46.91785 22.06075       2.017963  21.80128       2.448322  22.61048       3.563637  915.1789 53.06980 918.1420 77.38692 -2.963135      93.83571 
1 1 1 0   8  19 o 752.6241 38.85559 14.88958       1.466860  13.68593       2.058339  16.13167       2.090952  720.5787 56.88503 784.6696 52.94450 -64.09094      77.71117 
1 1 1 0   8  20 o 333.5006 60.33635 3.170599       1.058367  4.411138       1.541859  2.065293       1.455394  394.5911 79.92132 272.4102 90.41285 122.1809       120.6727 
1 1 1 0   8  21 o 305.2490 72.65605 2.557327       1.282966  1.826093       1.571313  4.019755       2.222141  257.5034 93.42654 352.9947 111.2973 -95.49133      145.3121 
1 1 1 0   8  22 o 307.5126 66.69628 2.955972       1.134170  3.010669       1.509564  2.885078       1.718609  312.1285 90.35223 302.8966 98.13282 9.231903       133.3926 
1 1 1 0   8  23 o 234.4469 64.90942 1.455018       1.123722  1.641331       1.549666  1.248411       1.631885  241.2351 91.75223 227.6586 91.83930 13.57652       129.8188 
1 1 1 0   9  1  o ?        ?        11.05007       2.009045  11.05007       2.009045  0.000000       0.000000  ?        ?        ?        ?        ?              ?        
1 1 1 0   9  2  o ?        ?        96.73502       8.022342  96.73502       8.022342  0.000000       0.000000  ?        ?        ?        ?        ?              ?        
1 1 1 0   9  3  o ?        ?        15.77589       1.425161  17.54260       2.467056  14.89104       1.745953  ?        ?        ?        ?        ?              ?        
1 1 1 0   9  4  o 3831.572 65.96503 382.1361       12.79342  390.7270       18.09118  373.5424       18.09407  3875.875 92.19627 3787.269 94.36835 88.60620       131.9301 
1 1 1 0   9  5  o 1317.657 41.61221 43.89207       2.609863  43.41603       3.187322  44.86065       4.546473  1308.359 48.11886 1326.956 67.90344 -18.59656      83.22441 
1 1 1 0   9  6  o 2467.958 57.71035 155.3117       6.781500  156.3100       8.300877  153.3083       11.75932  2481.643 66.06951 2454.274 94.64016 27.36841       115.4207 
1 1 1 0   9  7  o 2943.167 48.20382 221.0971       7.017665  225.3263       9.057839  214.7465       11.09945  2979.652 60.04480 2906.682 75.42583 72.96997       96.40765 
1 1 1 0   9  8  o 1934.534 40.65953 95.12926       3.981681  93.19992       5.621946  97.07102       5.639992  1914.784 57.99402 1954.284 57.00425 -39.49951      81.31907 
1 1 1 0   9  9  o 2501.680 59.08863 161.5081       7.023995  156.8147       12.16376  163.8560       8.603364  2468.924 97.31429 2534.437 67.05068 -65.51270      118.1773 
1 1 1 0   9  10 o 855.5139 32.29658 18.63148       1.393577  18.20500       1.958054  19.06925       1.983830  845.5399 45.91327 865.4879 45.43399 -19.94800      64.59315 
1 1 1 0   9  11 f 378.6429 38.49703 3.735395       0.7121409 3.317520       1.014538  4.141267       0.9998615 356.6368 58.19741 400.6489 50.40980 -44.01208      76.99406 
1 1 1 0   9  12 o 1869.325 40.53502 89.00672       3.833349  93.12191       5.429730  84.91737       5.412658  1912.654 56.07356 1825.995 58.55005 86.65894       81.07005 
1 1 1 0   9  13 o 1444.804 36.87623 53.19891       2.697025  54.18199       3.815159  52.21686       3.813179  1458.234 51.67752 1431.374 52.61996 26.86072       73.75246 
1 1 1 0   9  14 o 726.9194 35.30359 13.55546       1.288371  14.60815       1.826255  12.51244       1.817838  755.5104 47.99505 698.3284 51.78656 57.18195       70.60717 
1 1 1 0   9  15 o 1224.232 36.27356 38.33903       2.247734  39.08291       3.170321  37.58715       3.187298  1236.333 50.65056 1212.132 51.93848 24.20093       72.54713 
1 1 1 0   9  16 o 644.7065 38.13411 10.76534       1.232390  10.29230       1.736703  11.24515       1.749089  630.0569 54.99681 659.3562 52.84119 -29.29926      76.26821 
1 1 1 0   9  17 o 1257.525 36.89156 40.87727       2.348033  41.63502       3.304433  40.10449       3.337048  1269.674 51.40687 1245.375 52.92716 24.29834       73.78313 
1 1 1 0   9  18 o 1244.261 46.98370 41.10845       2.764049  40.38887       4.793693  41.46684       3.383062  1225.701 77.65180 1262.821 52.91569 -37.11975      93.96740 
1 1 1 0   9  19 o 541.6972 46.39384 7.844535       1.218841  6.036094       1.652855  10.00008       1.804518  469.7945 71.77071 613.6000 58.80917 -143.8055      92.78768 
1 1 1 0   9  20 o 488.0323 48.28582 6.561659       1.155926  6.671403       1.580261  6.435363       1.695242  494.4328 64.68102 481.6319 71.71088 12.80087       96.57165 
1 1 1 0   9  21 o 224.1334 60.34883 1.184626       0.9794888 1.720914       1.329970  0.5489712      1.447950  247.2040 86.34283 201.0628 84.33766 46.14119       120.6977 
1 1 1 0   9  22 o 256.7949 66.53106 1.866038       1.120741  1.574421       1.472342  2.267790       1.728148  240.1111 89.84944 273.4786 98.14584 -33.36743      133.0621 
1 1 1 0   9  23 o 357.8358 75.35851 4.462738       1.431982  4.616226       2.442236  4.382323       1.767737  350.7799 117.1497 364.8918 94.82392 -14.11188      150.7170 
1 1 1 0   10 0  o ?        ?        23.55093       2.185710  23.38475       3.093210  23.71664       3.088916  ?        ?        ?        ?        ?              ?        
1 1 1 0   10 1  o ?        ?        19.68306       1.382110  19.91869       1.956295  19.44824       1.952906  ?        ?        ?        ?        ?              ?        
1 1 1 0   10 2  o 1365.997 47.36544 54.24489       3.035914  55.35812       3.724669  52.04139       5.240259  1421.120 51.76941 1310.873 79.33390 110.2473       94.73088 
1 1 1 0   10 3  o 3208.006 80.32912 265.5600       13.04641  266.2635       18.45873  264.8578       18.44211  3212.306 113.5014 3203.707 113.7036 8.599365       160.6582 
1 1 1 0   10 4  o 1837.537 48.34459 86.08456       4.240451  86.66579       5.203768  84.93580       7.315809  1847.984 55.62067 1827.091 79.08945 20.89270       96.68919 
1 1 1 0   10 5  o 1852.057 56.41616 87.19780       5.288608  88.56173       7.440875  85.80539       7.518166  1866.794 78.73069 1837.320 80.82458 29.47339       112.8323 
1 1 1 0   10 6  o 889.6788 33.25117 20.32670       1.469563  16.32366       2.085171  24.27723       2.071448  800.6316 51.71938 978.7261 41.80510 -178.0945      66.50233 
1 1 1 0   10 7  o 2185.903 49.86355 120.8065       4.775497  120.0071       5.505141  123.2367       9.598907  2174.350 50.00983 2197.456 86.28158 -23.10596      99.72710 
1 1 1 0   10 8  o 1337.650 43.08941 45.72916       2.734252  45.90672       3.341766  45.36953       4.755835  1343.955 49.11425 1331.344 70.81368 12.61121       86.17881 
1 1 1 0   10 9  o 1898.782 40.37104 91.78716       3.879014  94.93420       5.481236  88.62973       5.490283  1931.582 56.05080 1865.982 58.11705 65.59961       80.74209 
1 1 1 0   10 10 o 1813.113 39.53256 83.57671       3.628770  83.37083       5.118955  83.78468       5.144855  1810.878 55.83525 1815.347 55.97962 -4.468628      79.06512 
1 1 1 0   10 11 o 1090.885 42.43493 30.66983       2.193553  29.40826       3.778857  31.31095       2.693875  1071.565 70.04132 1110.206 47.92813 -38.64050      84.86985 
1 1 1 0   10 12 o 1256.282 43.44985 40.61502       2.592422  41.18264       3.182227  39.49498       4.470125  1272.198 49.40749 1240.366 71.48746 31.83240       86.89970 
1 1 1 0   10 13 o 1516.183 44.94350 57.43939       3.279579  63.36879       5.704650  54.51225       4.008155  1570.898 71.72942 1461.468 54.17159 109.4301       89.88699 
1 1 1 0   10 14 o 954.6520 34.78350 23.30037       1.676791  24.27541       2.374178  22.32998       2.368512  975.4325 48.07646 933.8715 50.28144 41.56097       69.56701 
1 1 1 0   10 15 o 855.8901 35.40979 18.85245       1.523941  20.14096       2.143569  17.53563       2.166978  886.1260 47.95984 825.6542 52.10824 60.47186       70.81959 
1 1 1 0   10 16 o 1256.941 45.41475 40.91912       2.713049  41.72633       4.718317  40.52040       3.316073  1259.672 74.31455 1254.211 52.22397 5.460571       90.82949 
1 1 1 0   10 17 o 1190.863 46.49234 38.24021       2.584946  40.08650       3.166565  34.55228       4.475379  1245.051 50.23628 1136.675 78.24619 108.3760       92.98467 
1 1 1 0   10 18 o 546.4563 50.32985 8.273565       1.295716  7.233898       2.071122  8.942161       1.660887  511.0869 82.88249 581.8257 57.12151 -70.73880      100.6597 
1 1 1 0   10 19 o 655.6395 40.73015 11.49466       1.327718  12.35600       1.824442  10.52491       1.935862  684.4130 53.06854 626.8660 61.80220 57.54700       81.46030 
1 1 1 0   10 20 o 828.2111 39.05025 18.32026       1.625588  18.03708       2.232394  18.63992       2.371791  822.4051 53.91526 834.0170 56.50515 -11.61188      78.10049 
1 1 1 0   10 21 o 216.3703 64.50910 0.7168871      1.162136  0.8630424      1.968047  0.6386393      1.440004  230.0081 97.49664 202.7325 84.49912 27.27559       129.0182 
1 1 1 0   10 22 o 257.1896 72.55487 1.431650       1.268886  0.8610356      1.468430  3.113642       2.521123  209.7447 86.17554 304.6346 116.7502 -94.88982      145.1097 
1 1 1 0   11 1  o 1305.104 42.56132 43.70163       2.635244  44.41757       3.231602  42.28057       4.552844  1323.029 48.24639 1287.180 70.12952 35.84937       85.12263 
1 1 1 0   11 2  o 803.2279 31.27034 16.42854       1.264673  15.43903       1.793155  17.40789       1.783916  778.9360 45.67043 827.5199 42.72643 -48.58392      62.54067 
1 1 1 0   11 3  o 1769.101 39.00005 79.40603       3.492086  77.27919       4.938179  81.53352       4.938931  1745.351 55.88566 1792.851 54.41332 -47.49939      78.00010 
1 1 1 0   11 4  o 1536.709 36.47232 59.88663       2.836818  61.55133       4.018728  58.23325       4.005039  1558.029 50.94826 1515.389 52.20342 42.64026       72.94465 
1 1 1 0   11 5  o 1112.172 39.53095 30.97428       2.094040  30.09097       2.549846  32.80414       3.670014  1089.447 46.23005 1134.897 64.13709 -45.45056      79.06190 
1 1 1 0   11 6  o 579.4950 39.59112 8.732015       1.096722  9.071883       1.383275  8.156777       1.799602  596.1920 46.18932 562.7980 64.31464 33.39398       79.18224 
1 1 1 0   11 7  o 291.7177 46.31913 2.007671       0.6307429 1.563893       0.7519655 3.060980       1.158492  243.1208 61.15050 340.3146 69.58781 -97.19386      92.63826 
1 1 1 0   11 8  o 2496.164 46.72317 159.2692       5.889978  171.5580       8.311844  146.8744       8.347646  2593.867 63.29451 2398.460 68.74609 195.4075       93.44634 
1 1 1 0   11 9  o 513.3707 32.17017 6.692380       0.8110309 6.493158       1.041516  6.999283       1.292699  504.1648 41.16385 522.5765 49.44912 -18.41174      64.34033 
1 1 1 0   11 10 o 1493.977 46.70096 57.79888       3.278676  59.38960       3.998568  54.53484       5.727773  1528.707 51.66504 1459.247 77.81158 69.45996       93.40192 
1 1 1 0   11 11 f 562.4061 41.77267 7.977696       1.120638  8.715768       1.916385  7.594161       1.381454  580.7186 66.37520 544.0936 50.73613 36.62500       83.54533 
1 1 1 0   11 12 o 745.1511 48.52156 14.19826       1.820488  14.19826       1.820488  0.000000       0.000000  745.1511 48.52156 ?        ?        ?              ?        
1 1 1 0   11 13 o 1387.714 45.55003 49.96103       3.011980  47.87467       5.139012  51.05274       3.717400  1361.290 74.85436 1414.138 51.92347 -52.84888      91.10007 
1 1 1 0   11 14 o 1916.771 41.64115 94.28921       4.038841  97.84028       5.717733  90.75288       5.705852  1953.262 57.82023 1880.280 59.93965 72.98132       83.28230 
1 1 1 0   11 15 o 1362.506 36.80406 47.67492       2.538625  47.08773       3.573113  48.27345       3.607448  1354.006 52.12455 1371.005 51.97293 -16.99902      73.60812 
1 1 1 0   11 16 o 730.9283 46.08426 13.89918       1.587059  14.50295       2.773608  13.60527       1.935168  738.1566 75.27187 723.7000 53.19006 14.45667       92.16853 
1 1 1 0   11 17 o 226.9895 75.06045 1.331629       1.003435  1.331629       1.003435  0.000000       0.000000  226.9895 75.06045 ?        ?        ?              ?        
1 1 1 0   11 18 f 359.6101 61.83945 3.582689       1.094477  4.297120       1.766157  3.137290       1.394516  386.5567 91.64178 332.6636 83.05573 53.89307       123.6789 
1 1 1 0   11 19 f 456.2676 49.14081 5.770128       1.090798  6.319836       1.512509  5.174355       1.574607  482.4124 63.47004 430.1227 75.03886 52.28970       98.28162 
1 1 1 0   11 20 o 226.7728 59.05709 1.165944       0.9369997 0.3820489      1.283291  2.061075       1.371321  187.5760 79.07586 265.9696 87.73805 -78.39360      118.1142 
1 1 1 0   11 21 o 379.2857 64.22640 4.782331       1.317363  2.368403       1.982664  6.690423       1.762733  278.7288 104.2713 479.8426 75.01743 -201.1139      128.4528 
1 1 1 0   11 22 f 489.9633 70.12206 6.960582       1.689803  6.960582       1.689803  0.000000       0.000000  489.9633 70.12206 ?        ?        ?              ?        
1 1 1 0   12 0  o 1410.443 50.05075 50.51945       3.566344  52.07851       5.048509  48.96649       5.038648  1433.150 69.58056 1387.736 71.96427 45.41394       100.1015 
1 1 1 0   12 1  o 1344.571 43.12403 46.40562       2.748365  47.32181       3.370027  44.58614       4.749110  1366.163 48.72447 1322.979 71.16640 43.18396       86.24807 
1 1 1 0   12 2  o 668.1021 44.28532 11.43324       1.478873  10.85954       2.088157  12.01056       2.094744  650.9414 64.19934 685.2627 61.01804 -34.32129      88.57063 
1 1 1 0   12 3  o 1297.383 34.49789 42.67892       2.265914  42.67752       3.207905  42.68032       3.201079  1297.359 48.84021 1297.407 48.73451 -0.4711914E-01 68.99579 
1 1 1 0   12 4  o 949.4784 32.35019 22.86148       1.554480  23.67278       2.205990  22.06129       2.190823  966.2348 45.09591 932.7219 46.39503 33.51288       64.70039 
1 1 1 0   12 5  o 1761.165 49.57244 79.88548       4.131881  81.63659       5.050305  76.34047       7.185726  1792.568 55.64914 1729.763 82.05414 62.80481       99.14488 
1 1 1 0   12 6  o 1154.731 41.29558 33.82858       2.267422  34.51579       3.949669  33.49077       2.769202  1161.396 67.46404 1148.067 47.64351 13.32861       82.59116 
1 1 1 0   12 7  o 1735.237 46.49153 80.18243       3.463752  83.46133       4.006732  70.48428       6.890817  1812.482 43.66495 1657.991 82.09276 154.4907       92.98306 
1 1 1 0   12 8  o 700.2762 37.38701 12.47671       1.320688  12.47671       1.320688  0.000000       0.000000  700.2762 37.38701 ?        ?        ?              ?        
1 1 1 0   12 9  o 2064.295 48.63860 107.7349       4.393053  106.8542       5.059412  110.4335       8.856047  2050.913 48.72693 2077.676 84.19347 -26.76270      97.27721 
1 1 1 0   12 10 f 2240.223 44.62986 128.0607       5.051462  137.6285       7.152041  118.5366       7.135680  2324.373 60.77719 2156.073 65.37148 168.3000       89.25972 
1 1 1 0   12 11 o 1313.696 51.18727 43.95155       3.404401  0.000000       0.000000  43.95155       3.404401  ?        ?        1313.696 51.18727 ?              ?        
1 1 1 0   12 12 o 301.8015 68.28022 2.428738       1.018896  2.428738       1.018896  0.000000       0.000000  301.8015 68.28022 ?        ?        ?              ?        
1 1 1 0   12 13 o 1330.645 45.08104 45.99458       2.862003  44.10330       4.868829  46.99310       3.537746  1305.224 73.98539 1356.066 51.53022 -50.84290      90.16209 
1 1 1 0   12 14 o 940.8871 35.18759 22.74363       1.668494  23.23767       2.325317  22.21933       2.395460  951.8051 48.41560 929.9692 51.07441 21.83588       70.37518 
1 1 1 0   12 15 o 981.2659 35.53829 24.83748       1.759393  25.76348       2.456920  23.86283       2.520618  1001.288 48.46725 961.2436 51.98853 40.04456       71.07658 
1 1 1 0   12 16 o 524.7444 50.38134 7.664017       1.208306  6.500549       2.024957  8.307343       1.505754  485.8328 85.44711 563.6560 53.40328 -77.82321      100.7627 
1 1 1 0   12 17 o 529.5847 56.19885 7.413293       1.483743  7.413293       1.483743  0.000000       0.000000  529.5847 56.19885 ?        ?        ?              ?        
1 1 1 0   12 18 o 469.5009 55.68851 6.144692       1.235446  6.155853       2.016528  6.137986       1.563170  463.9840 89.08424 475.0177 66.84936 -11.03372      111.3770 
1 1 1 0   12 19 o 217.0739 52.50850 1.032195       0.8331434 2.151314       1.083553  -0.5862958     1.303069  274.2261 75.60683 159.9217 72.88467 114.3044       105.0170 
1 1 1 0   12 20 o 170.0768 52.06122 -0.1525581     0.8853613 0.7632565      1.204935  -1.227216      1.305253  197.3998 79.16779 142.7538 67.63093 54.64601       104.1224 
1 1 1 0   12 21 o 282.7455 72.09569 2.484595       1.275221  2.768058       2.185714  2.338310       1.570159  291.6911 109.4098 273.8000 93.91831 17.89105       144.1914 
1 1 1 0   12 22 o 557.9194 70.61211 9.128347       1.949852  9.128347       1.949852  0.000000       0.000000  557.9194 70.61211 ?        ?        ?              ?        
1 1 1 0   13 1  o 2065.802 42.05317 108.3437       4.397919  106.9965       6.217753  109.6925       6.221442  2052.915 59.82448 2078.689 59.11775 -25.77441      84.10634 
1 1 1 0   13 2  o 1661.643 53.40354 70.07651       4.492535  0.000000       0.000000  70.07651       4.492535  ?        ?        1661.643 53.40354 ?              ?        
1 1 1 0   13 3  o 569.4298 31.65604 8.274433       0.9050404 8.520408       1.290991  8.036718       1.269130  577.8316 44.47209 561.0280 45.06276 16.80359       63.31208 
1 1 1 0   13 4  o 2299.689 55.18151 134.5757       6.056840  133.6508       7.408566  136.4398       10.51783  2291.098 63.87146 2308.280 90.00240 -17.18213      110.3630 
1 1 1 0   13 5  o 1268.538 44.08544 41.71492       2.630123  42.88631       3.212343  39.33275       4.580961  1298.773 48.85456 1238.303 73.39848 60.46924       88.17088 
1 1 1 0   13 6  o 1534.430 44.22270 59.88596       3.235563  60.60094       5.627503  59.53289       3.954562  1539.271 72.21326 1529.589 51.06696 9.682495       88.44540 
1 1 1 0   13 7  o 1260.471 43.92554 41.38464       2.617121  43.08829       3.223350  38.08895       4.483208  1301.996 48.90061 1218.947 72.98316 83.04907       87.85107 
1 1 1 0   13 8  o 303.9650 40.59598 2.548975       0.5768372 2.899748       0.7316158 1.972657       0.9377818 335.0700 44.20788 272.8600 68.10138 62.21005       81.19196 
1 1 1 0   13 9  o 939.0111 31.11037 22.38821       1.431782  22.27995       1.815174  22.56650       2.329354  937.0128 38.26389 941.0095 49.06420 -3.996765      62.22074 
1 1 1 0   13 10 o 915.2542 30.43799 20.80886       1.383236  19.00440       1.761930  23.70761       2.233158  864.9406 40.23635 965.5677 45.68283 -100.6272      60.87598 
1 1 1 0   13 11 o 2182.513 54.15105 121.4512       5.659720  119.1263       6.928688  126.1132       9.811496  2157.028 63.44707 2207.998 87.77139 -50.96973      108.3021 
1 1 1 0   13 12 o 1781.155 56.55671 81.19266       5.099993  81.19266       5.099993  0.000000       0.000000  1781.155 56.55671 ?        ?        ?              ?        
1 1 1 0   13 13 o 660.7775 45.73991 11.60839       1.436880  10.39374       2.344552  12.33904       1.818392  629.2428 75.07913 692.3121 52.26548 -63.06934      91.47981 
1 1 1 0   13 14 o 751.0185 43.73566 14.64209       1.577373  14.79515       2.642569  14.55737       1.966042  751.1167 70.31014 750.9203 52.03572 0.1964111      87.47133 
1 1 1 0   13 15 o 651.6385 39.12124 11.11385       1.266869  11.40180       1.698362  10.75264       1.902155  662.6743 51.01502 640.6028 59.32414 22.07141       78.24249 
1 1 1 0   13 16 o 487.6308 53.86069 6.505753       1.267956  6.354105       1.946684  6.617496       1.671035  479.2909 83.24583 495.9707 68.36685 -16.67981      107.7214 
1 1 1 0   13 17 o 785.2787 46.58296 16.96511       1.668909  17.73749       2.021961  15.31417       2.956120  824.0133 48.68412 746.5442 79.43391 77.46912       93.16592 
1 1 1 0   13 18 o 474.3560 47.62214 6.375387       1.060864  7.304455       1.394442  5.098762       1.634588  524.0393 53.30168 424.6726 78.93291 99.36673       95.24428 
1 1 1 0   13 19 o 190.9177 55.26228 0.4989848      0.8781908 1.013274       1.185608  -0.1261727     1.307170  209.7156 80.13668 172.1198 76.11694 37.59586       110.5246 
1 1 1 0   13 20 o 140.7126 46.07713 -0.7427755     0.7961307 -0.1988091     1.029298  -1.552820      1.256057  149.3145 66.69558 132.1107 63.59329 17.20389       92.15425 
1 1 1 0   13 21 o 262.9821 70.33446 2.118029       1.343725  1.015098       2.174236  2.799634       1.709223  234.0554 100.9125 291.9088 98.00208 -57.85347      140.6689 
1 1 1 0   13 22 o 347.2292 70.65220 4.728246       1.461195  5.804113       1.776798  2.480446       2.568251  425.4890 85.45088 268.9694 112.5392 156.5196       141.3044 
1 1 1 0   14 0  o 823.4405 64.24603 17.31858       2.657125  17.31858       2.657125  0.000000       0.000000  823.4405 64.24603 ?        ?        ?              ?        
1 1 1 0   14 1  o 1248.958 48.56838 39.88957       3.053415  36.15498       4.301838  43.68145       4.334711  1188.440 71.83548 1309.476 65.38512 -121.0359      97.13676 
1 1 1 0   14 2  f 1003.602 39.69020 25.42917       1.897670  26.43535       3.303961  24.93383       2.318187  1016.459 64.53854 990.7445 46.21714 25.71405       79.38039 
1 1 1 0   14 3  o 1137.530 33.35054 32.93555       1.916537  30.44047       2.709183  35.43507       2.711603  1094.168 48.90695 1180.891 45.35577 -86.72278      66.70109 
1 1 1 0   14 4  o 984.0669 40.32442 24.61157       1.880285  24.38293       2.291516  25.08276       3.289590  979.2933 46.21964 988.8405 66.09069 -9.547241      80.64883 
1 1 1 0   14 5  o 825.3876 39.64622 17.35716       1.550008  17.20679       1.893466  17.66261       2.698711  821.4612 45.70980 829.3140 64.79126 -7.852722      79.29245 
1 1 1 0   14 6  o 1758.903 55.89751 79.24481       4.972842  75.98684       7.074632  82.42660       6.991428  1722.630 81.12005 1795.176 76.92636 -72.54602      111.7950 
1 1 1 0   14 7  o 363.8325 45.50684 3.472018       0.7888812 3.462135       1.263118  3.478338       1.010112  362.1277 71.43433 365.5372 56.39705 -3.409424      91.01368 
1 1 1 0   14 8  o 1694.330 35.88675 73.49294       3.006767  75.46030       3.887368  70.56323       4.743797  1723.610 44.54848 1665.051 56.27494 58.55981       71.77351 
1 1 1 0   14 9  o 1533.765 45.08134 61.57125       2.970538  62.94553       3.424081  57.38993       5.972589  1573.810 42.97422 1493.719 79.26239 80.09131       90.16269 
1 1 1 0   14 10 o 696.5957 32.03876 12.37744       1.090925  12.29240       1.384397  12.51675       1.771971  694.2388 39.55212 698.9527 50.41388 -4.713928      64.07752 
1 1 1 0   14 11 o 1001.345 45.04986 25.86952       2.094120  25.98185       2.519914  25.61879       3.764843  1008.942 49.33281 993.7474 75.39384 15.19458       90.09972 
1 1 1 0   14 12 o 261.6598 61.21678 1.634712       1.018184  2.533515       1.360008  0.4884917      1.535831  307.1431 84.71362 216.1764 88.39445 90.96667       122.4336 
1 1 1 0   14 13 o 465.7418 43.55177 5.716469       0.9945766 6.031341       1.359162  5.353513       1.459254  480.9899 56.91887 450.4937 65.93382 30.49619       87.10354 
1 1 1 0   14 14 o 1467.680 46.14508 54.80296       3.232988  52.24185       3.923317  60.22163       5.706702  1421.941 54.49895 1513.419 74.48047 -91.47766      92.29017 
1 1 1 0   14 15 o 1526.496 56.73796 62.61351       4.366830  62.65903       6.076898  62.56490       6.279337  1528.646 78.78997 1524.346 81.66348 4.299805       113.4759 
1 1 1 0   14 16 o 1053.337 53.90602 29.08289       2.865040  0.000000       0.000000  29.08289       2.865040  ?        ?        1053.337 53.90602 ?              ?        
1 1 1 0   14 17 o 587.1403 61.06779 9.566906       1.733740  7.601905       2.301005  12.14755       2.636940  513.8027 91.82822 660.4778 80.52751 -146.6750      122.1356 
1 1 1 0   14 18 o 195.2329 57.25306 0.4180509      0.9030305 0.1079702      1.136938  0.9479725      1.486296  170.2726 73.19016 220.1931 88.06165 -49.92049      114.5061 
1 1 1 0   14 19 o 267.0810 63.41950 2.095670       0.9892837 1.961088       1.250954  2.320357       1.616359  257.6301 83.74183 276.5320 95.26510 -18.90192      126.8390 
1 1 1 0   14 20 o 261.9510 60.57218 2.092060       0.9043123 2.049405       1.132255  2.167203       1.502797  259.7483 79.03876 264.1537 91.80866 -4.405396      121.1444 
1 1 1 0   14 21 o 301.0974 80.19850 3.320484       1.724539  4.097353       2.278872  2.279387       2.638105  331.6278 113.1518 270.5670 113.6832 61.06073       160.3970 
1 1 1 0   15 1  o 1573.808 74.61587 63.45744       5.945201  63.45744       5.945201  0.000000       0.000000  1573.808 74.61587 ?        ?        ?              ?        
1 1 1 0   15 2  o 1721.668 47.67689 76.16566       3.911602  76.94312       4.798291  74.62537       6.753813  1737.775 54.53926 1705.561 78.21645 32.21411       95.35378 
1 1 1 0   15 3  o 839.5254 39.92490 18.26170       1.589627  18.73095       1.962400  17.36619       2.710955  857.1281 45.38454 821.9227 65.69806 35.20544       79.84981 
1 1 1 0   15 4  o 749.7476 40.62701 14.82097       1.417393  15.62202       1.738700  13.23399       2.447261  782.8692 44.04739 716.6260 68.27917 66.24323       81.25403 
1 1 1 0   15 5  o 1648.510 38.47007 69.15173       3.210660  69.17702       4.550670  69.12666       4.530515  1648.793 54.51620 1648.228 54.29336 0.5651855      76.94013 
1 1 1 0   15 6  o 1484.884 51.62151 56.32124       3.879929  56.49179       5.545192  56.15766       5.430696  1486.965 73.66010 1482.804 72.34161 4.161011       103.2430 
1 1 1 0   15 7  f 622.5770 39.98034 10.12186       1.192769  9.302820       1.943980  10.61637       1.510523  600.4833 64.98158 644.6708 46.59511 -44.18744      79.96068 
1 1 1 0   15 8  o 2350.716 42.00835 141.2427       4.892578  142.3576       6.316388  139.5705       7.735667  2364.240 52.77079 2337.192 65.37621 27.04810       84.01669 
1 1 1 0   15 9  o 1432.368 33.83779 52.44538       2.392143  53.09070       3.070024  51.44807       3.816540  1444.670 41.97490 1420.066 53.08570 24.60339       67.67558 
1 1 1 0   15 10 o 1736.018 48.92818 80.90434       3.612571  84.04540       4.167332  71.40642       7.246603  1815.761 45.33314 1656.275 86.72240 159.4861       97.85637 
1 1 1 0   15 11 o 665.2142 54.77824 11.19150       1.744167  7.937109       2.260566  15.97877       2.741737  546.4182 84.43848 784.0101 69.80521 -237.5919      109.5565 
1 1 1 0   15 12 o 534.0959 57.03529 7.567577       1.460702  5.591205       1.985881  9.897249       2.156088  454.0376 89.57452 614.1544 70.62932 -160.1168      114.0706 
1 1 1 0   15 13 o 1091.148 33.49084 30.52379       1.807572  30.33901       2.318754  30.81001       2.885897  1088.585 42.07352 1093.712 52.11876 -5.127563      66.98169 
1 1 1 0   15 14 o 1023.966 35.69790 27.00411       1.840446  24.12160       2.508282  30.36601       2.708841  963.9446 51.58437 1083.988 49.36002 -120.0433      71.39579 
1 1 1 0   15 15 f 212.7586 54.63435 0.9020109      0.7968140 0.2415845      1.080853  1.688225       1.179302  174.5562 73.01937 250.9611 81.28850 -76.40492      109.2687 
1 1 1 0   15 16 o 620.0820 65.22431 10.88608       1.923350  10.64212       2.435009  11.29077       3.136224  619.4612 79.47598 620.7028 103.4428 -1.241516      130.4486 
1 1 1 0   15 17 o 302.0656 100.1521 2.676507       1.785999  2.676507       1.785999  0.000000       0.000000  302.0656 100.1521 ?        ?        ?              ?        
1 1 1 0   15 18 o 186.0803 56.82540 0.1455529      0.9939082 -0.4027916     1.492994  0.5819801      1.331948  174.9648 79.05444 197.1958 81.65108 -22.23093      113.6508 
1 1 1 0   15 19 o 181.4372 56.15521 0.1682120      0.9693017 0.4348403      1.207467  -0.3149956     1.625508  182.0646 76.72572 180.8098 82.01704 1.254852       112.3104 
1 1 1 0   15 20 f 239.4028 62.40835 1.561999       0.9725915 1.106936       1.217950  2.362900       1.615785  208.4426 80.80955 270.3630 95.12637 -61.92043      124.8167 
1 1 1 0   15 21 o 420.3820 85.89684 6.929194       1.960975  5.173584       2.579048  9.335080       3.019137  353.8843 120.3754 486.8797 122.5677 -132.9954      171.7937 
1 1 1 0   16 0  o 1531.163 73.72007 59.67632       5.714665  0.000000       0.000000  59.67632       5.714665  ?        ?        1531.163 73.72007 ?              ?        
1 1 1 0   16 1  o 1750.711 55.59025 78.57282       4.923104  74.63977       6.938802  82.55965       6.986079  1706.108 80.33309 1795.315 76.86156 -89.20764      111.1805 
1 1 1 0   16 2  o 2032.264 51.51933 105.4927       4.998075  105.2324       6.121689  106.0131       8.656010  2031.952 59.50784 2032.576 84.11768 -0.6237793     103.0387 
1 1 1 0   16 3  o 2183.217 61.97188 121.5149       6.849757  121.5149       6.849757  0.000000       0.000000  2183.217 61.97188 ?        ?        ?              ?        
1 1 1 0   16 4  o 1168.301 40.68000 33.66276       2.292002  31.20765       2.803771  38.60833       3.979380  1107.829 49.99033 1228.772 64.19046 -120.9424      81.35999 
1 1 1 0   16 5  o 1315.239 40.73459 42.37281       2.576930  49.40163       4.535793  39.02279       3.131381  1391.708 64.37563 1238.770 49.92999 152.9375       81.46918 
1 1 1 0   16 6  o 428.7171 42.80679 4.534224       0.8529514 5.511545       1.530474  4.093911       1.027277  459.7242 67.79204 397.7101 52.28694 62.01416       85.61358 
1 1 1 0   16 7  o 1610.860 37.88912 66.12833       3.089850  65.48981       4.345896  66.78104       4.393916  1603.004 53.55021 1618.716 53.61638 -15.71216      75.77824 
1 1 1 0   16 8  o 1005.315 40.91658 25.24539       2.003911  28.48619       3.369911  23.47253       2.492469  1052.765 63.52467 957.8651 51.58764 94.89996       81.83317 
1 1 1 0   16 9  o 941.4763 31.43290 22.62981       1.461271  22.65250       1.879107  22.59510       2.324242  943.4031 39.34328 939.5494 49.03279 3.853760       62.86580 
1 1 1 0   16 10 o 1067.766 41.50154 29.83684       1.899899  30.32302       2.187488  28.34391       3.833249  1091.005 39.60364 1044.526 72.94563 46.47913       83.00309 
1 1 1 0   16 11 f 1269.526 50.85428 41.30639       3.268533  41.30639       3.268533  0.000000       0.000000  1269.526 50.85428 ?        ?        ?              ?        
1 1 1 0   16 12 o 458.4631 60.89582 5.684579       1.358257  4.910606       1.852054  6.585307       1.997966  423.0429 89.27950 493.8833 82.83945 -70.84042      121.7916 
1 1 1 0   16 13 o 825.8527 34.57491 17.51053       1.394410  17.06909       1.757314  18.26097       2.291236  814.0225 42.79136 837.6828 54.31939 -23.66034      69.14981 
1 1 1 0   16 14 o 384.1743 50.93324 4.040239       0.9410773 4.017855       1.227672  4.072132       1.465443  385.2952 65.26692 383.0534 78.21130 2.241821       101.8665 
1 1 1 0   16 15 o 171.4041 51.91330 -0.1141773     0.7652550 -0.5019653     0.9292607 0.7029736      1.348937  135.1692 61.58251 207.6391 83.59162 -72.46992      103.8266 
1 1 1 0   16 16 o 447.6503 72.28030 5.880939       1.638043  3.780090       2.172749  8.647347       2.493274  350.7953 109.9693 544.5054 93.83242 -193.7102      144.5606 
1 1 1 0   16 17 o 170.1721 55.18496 -0.7089021     1.078083  -0.8203451     1.504115  -0.5911618     1.546027  166.1729 76.68029 174.1714 79.38296 -7.998581      110.3699 
1 1 1 0   16 18 f 170.9158 53.03349 0.4661444E-01  0.8649608 0.8689384E-01  1.108716  -0.1602456E-01 1.382616  164.6010 71.51144 177.2307 78.33466 -12.62973      106.0670 
1 1 1 0   16 19 o 231.8373 64.06893 1.517722       1.060450  1.908645       1.160513  -0.4604162     2.610555  249.4697 80.62096 214.2049 99.59705 35.26480       128.1379 
1 1 1 0   16 20 o 220.9816 68.58926 0.3987443      1.153002  -0.1143568     1.275574  2.690247       2.695655  164.0925 73.70308 277.8706 115.6970 -113.7781      137.1785 
1 1 1 0   16 21 o 229.5929 71.12213 -0.5067223     1.422514  -2.200283      1.628930  4.934107       2.919676  139.1774 68.21024 320.0084 124.8231 -180.8310      142.2443 
1 1 1 0   17 1  o 1835.901 48.76497 85.30749       4.296900  88.57668       7.420234  83.65814       5.270514  1859.586 78.81659 1812.217 57.44592 47.36963       97.52994 
1 1 1 0   17 2  o 2132.349 61.71330 116.8053       6.659972  113.2992       9.416533  120.3146       9.420713  2099.864 88.57603 2164.834 85.95586 -64.97046      123.4266 
1 1 1 0   17 3  o 1361.989 35.61040 47.16817       2.451239  51.04773       3.512053  43.48326       3.422819  1416.754 48.96470 1307.223 51.71905 109.5302       71.22079 
1 1 1 0   17 4  o 1229.275 42.92272 38.43364       2.505052  39.10210       4.373886  38.10734       3.055893  1234.660 70.26450 1223.890 49.31876 10.76990       85.84544 
1 1 1 0   17 5  o 1739.573 54.75727 77.63396       4.819157  81.63287       6.876064  73.77329       6.756153  1783.984 76.13166 1695.161 78.72359 88.82288       109.5145 
1 1 1 0   17 6  o 489.3397 42.09330 5.995029       0.9613013 6.831657       1.714076  5.611144       1.161087  512.0416 67.78781 466.6378 49.92192 45.40387       84.18661 
1 1 1 0   17 7  o 1413.589 36.35474 51.00803       2.601642  50.65734       3.657781  51.36709       3.701158  1408.701 51.28793 1418.477 51.53849 -9.775879      72.70947 
1 1 1 0   17 8  o 578.3311 35.39797 8.698660       1.013984  9.669868       1.394270  7.608321       1.477310  614.0889 45.16378 542.5732 54.51878 71.51563       70.79594 
1 1 1 0   17 9  o 278.8614 50.21877 2.102114       0.6961055 2.185838       0.8751265 1.957884       1.148613  286.1389 62.18635 271.5838 78.87050 14.55511       100.4375 
1 1 1 0   17 10 o 267.4762 49.92542 1.689593       0.6494130 1.273968       0.7739066 2.678815       1.193946  220.1956 64.96821 314.7567 75.82430 -94.56105      99.85085 
1 1 1 0   17 11 o 701.8167 45.50006 12.98774       1.476222  13.17730       1.788846  12.58303       2.613772  714.4548 49.76626 689.1785 76.18623 25.27625       91.00013 
1 1 1 0   17 12 o 754.9968 45.96226 15.13252       1.603914  15.34428       1.941188  14.67690       2.847361  769.3467 50.11163 740.6468 77.06453 28.69995       91.92452 
1 1 1 0   17 13 o 254.9278 57.78637 1.750642       0.8193540 1.845766       0.9949957 1.550248       1.444170  259.1589 72.81890 250.6967 89.74668 8.462128       115.5727 
1 1 1 0   17 14 o 225.7216 53.99702 0.6054259      0.7772591 -0.2878896     0.9258823 2.737484       1.430385  142.0758 63.37417 309.3673 87.44384 -167.2916      107.9940 
1 1 1 0   17 15 o 240.1732 59.01609 1.466529       0.8285922 1.350680       0.9957198 1.727399       1.494185  224.7431 74.79314 255.6032 91.31037 -30.86017      118.0322 
1 1 1 0   17 16 o 255.1226 62.29291 1.625981       0.9825693 0.9715995      1.254661  2.663823       1.580070  211.4030 82.00136 298.8422 93.79447 -87.43919      124.5858 
1 1 1 0   17 17 o 208.4557 61.90679 0.7191854      0.9904683 0.8242099      1.127153  0.3632250      2.075099  196.6605 77.31034 220.2508 96.71047 -23.59036      123.8136 
1 1 1 0   17 18 o 444.7498 57.13565 6.165462       1.189113  6.672402       1.515396  5.353158       1.918260  484.0783 63.35432 405.4214 95.10080 78.65695       114.2713 
1 1 1 0   17 19 o 349.8646 65.26564 3.957399       1.143468  3.525130       1.440893  4.692710       1.879277  330.3838 85.49027 369.3453 98.63990 -38.96158      130.5313 
1 1 1 0   17 20 o 190.0435 58.17007 0.6134356E-01  1.128530  1.629675       1.593470  -1.516918      1.598507  230.9605 91.56202 149.1264 71.77344 81.83414       116.3401 
1 1 1 0   18 0  o 239.6922 58.12964 1.322853       0.8527016 1.546586       1.238751  1.121373       1.175535  252.3710 83.39591 227.0134 81.00211 25.35760       116.2593 
1 1 1 0   18 1  o 599.4392 44.08458 9.455350       1.239484  8.695358       2.090125  9.867591       1.539372  578.1819 73.03330 620.6965 49.39571 -42.51465      88.16915 
1 1 1 0   18 2  o 978.7328 42.03773 24.76793       1.939130  23.76787       3.368388  25.26366       2.371526  961.0496 69.70372 996.4160 47.01144 -35.36639      84.07546 
1 1 1 0   18 3  o 599.0179 47.37165 9.776908       1.264992  8.112200       2.237108  10.55938       1.533739  555.7342 81.97417 642.3016 47.50294 -86.56738      94.74330 
1 1 1 0   18 4  o 1932.231 51.35691 96.20135       4.720897  95.05240       8.191314  96.77278       5.776794  1918.636 84.32909 1945.826 58.64073 -27.19006      102.7138 
1 1 1 0   18 5  o 998.0394 47.54428 25.66143       2.386674  26.43064       3.453661  24.95831       3.301981  1012.252 67.78349 983.8268 66.68757 28.42529       95.08855 
1 1 1 0   18 6  o 2435.458 57.58664 151.1826       6.741613  162.0904       11.67531  145.7265       8.257288  2491.869 92.54644 2379.048 68.55682 112.8210       115.1733 
1 1 1 0   18 7  o 982.0587 33.23927 24.63634       1.652513  25.00347       2.341227  24.27185       2.332810  989.4000 46.73991 974.7174 47.27341 14.68262       66.47853 
1 1 1 0   18 8  o 300.1091 52.84394 2.155246       0.7779747 3.489044       1.366454  1.515545       0.9463223 359.8367 77.31230 240.3815 72.06065 119.4552       105.6879 
1 1 1 0   18 9  o 488.4305 37.84367 6.208559       0.8979850 6.243913       1.155339  6.154609       1.427198  491.6441 46.98902 485.2169 59.33471 6.427246       75.68735 
1 1 1 0   18 10 o 414.6325 51.95268 4.615057       0.9214427 4.621467       1.068498  4.596459       1.820046  420.8584 51.20313 408.4066 90.41330 12.45181       103.9054 
1 1 1 0   18 11 o 185.0201 55.52689 -0.1290607     0.8967364 -0.6825697     1.127738  0.8226990      1.478800  147.6516 67.49075 222.3885 88.19263 -74.73692      111.0538 
1 1 1 0   18 12 o 291.3983 62.77746 2.130767       0.9679503 1.618484       1.175292  3.210850       1.706552  247.3476 81.20750 335.4490 95.75687 -88.10141      125.5549 
1 1 1 0   18 13 o 474.0865 46.89478 6.206450       1.021464  6.452636       1.261534  5.737777       1.740609  494.4526 51.13411 453.7204 78.62433 40.73224       93.78957 
1 1 1 0   18 14 o 247.7525 60.37524 1.373370       0.8829262 0.8341580      1.064198  2.564295       1.581558  198.3887 75.89547 297.1162 93.91781 -98.72752      120.7505 
1 1 1 0   18 15 f 167.9020 52.73688 -0.3472635     0.8403787 -0.7084079     1.019064  0.4203804      1.485733  135.2571 62.66033 200.5470 84.84337 -65.28983      105.4738 
1 1 1 0   18 16 o 269.0449 59.92566 2.009053       1.022749  3.388595       1.440188  0.6055070      1.452663  335.3578 84.77973 202.7319 84.71563 132.6258       119.8513 
1 1 1 0   18 17 o 359.1420 68.20843 4.509356       1.261487  4.971818       1.492702  3.353691       2.359670  409.4447 74.76527 308.8393 114.1040 100.6054       136.4169 
1 1 1 0   18 18 o 258.7602 68.38219 2.180181       1.207611  2.431627       1.729341  1.940873       1.687084  268.8314 97.93923 248.6889 95.45891 20.14241       136.7644 
1 1 1 0   18 19 o 240.6330 66.20632 1.855166       1.128319  2.106317       1.279236  0.9751660      2.394553  253.5994 84.78525 227.6667 101.7083 25.93268       132.4126 
1 1 1 0   18 20 o 159.7213 51.14463 -0.4801109     1.015705  0.7796974      1.184370  -3.982622      1.974808  184.4321 76.73190 135.0105 67.64102 49.42159       102.2893 
1 1 1 0   19 1  o 1169.173 35.03046 34.87811       2.073309  35.02823       2.915093  34.72444       2.949411  1171.793 49.13802 1166.553 49.93984 5.240356       70.06092 
1 1 1 0   19 2  o 1319.192 44.46090 45.01581       2.776784  43.77623       4.815483  45.63331       3.398753  1301.376 73.38871 1337.007 50.21139 -35.63110      88.92180 
1 1 1 0   19 3  o 508.9359 49.13717 6.945891       1.128895  6.352458       1.991401  7.226902       1.370356  488.5450 83.51423 529.3267 51.79979 -40.78177      98.27434 
1 1 1 0   19 4  o 662.2419 51.41034 11.45203       1.692526  12.25796       2.420457  10.68091       2.367605  685.8287 70.72541 638.6553 74.63250 47.17340       102.8207 
1 1 1 0   19 5  o 478.7231 50.42994 6.102767       1.102996  6.214634       1.345593  5.873654       1.925690  489.3289 55.28576 468.1174 84.35758 21.21146       100.8599 
1 1 1 0   19 6  o 310.2012 46.42167 2.577353       0.7114319 1.789089       0.9841921 3.439990       1.029575  258.9377 72.30486 361.4646 58.23997 -102.5269      92.84335 
1 1 1 0   19 7  o 629.5848 46.66035 10.49328       1.328581  10.01533       2.410818  10.70174       1.592173  614.7080 79.31630 644.4615 49.16991 -29.75354      93.32071 
1 1 1 0   19 8  o 366.1100 45.19419 3.589434       0.8024343 4.108107       1.127740  3.057540       1.142022  395.0766 58.11929 337.1433 69.22576 57.93335       90.38837 
1 1 1 0   19 9  o 845.3844 34.95732 18.46094       1.486881  18.61226       2.047804  18.29221       2.162409  849.5959 47.80363 841.1729 51.01833 8.423035       69.91464 
1 1 1 0   19 10 o 339.9442 56.88907 3.372555       1.081092  5.325394       1.454763  0.9638788      1.615654  446.0467 66.44960 233.8416 92.35755 212.2052       113.7781 
1 1 1 0   19 11 o 314.0538 68.04021 2.911867       1.228832  3.578699       1.498224  1.541232       2.147976  356.2583 84.36876 271.8492 106.7698 84.40909       136.0804 
1 1 1 0   19 12 o 373.8694 62.56269 4.146099       1.101830  4.380724       1.315101  3.593503       2.018255  399.9256 67.34545 347.8132 105.4559 52.11237       125.1254 
1 1 1 0   19 13 o 296.9255 60.74423 2.696393       0.9392496 3.009223       1.084112  1.754846       1.880792  328.4789 67.44872 265.3720 101.0451 63.10690       121.4885 
1 1 1 0   19 14 o 187.8656 54.41071 0.4931868      0.8481537 0.9812973      1.023143  -0.5791034     1.516469  202.7133 75.08728 173.0178 78.76547 29.69543       108.8214 
1 1 1 0   19 15 o 162.6862 76.52961 -1.240385      1.617365  -1.240385      1.617365  0.000000       0.000000  162.6862 76.52961 ?        ?        ?              ?        
1 1 1 0   19 16 o 254.6562 98.08598 1.877523       1.785378  0.000000       0.000000  1.877523       1.785378  ?        ?        254.6562 98.08598 ?              ?        
1 1 1 0   19 17 o 148.9455 50.89120 -1.089618      0.8503286 -1.196346      0.9452024 -0.6366056     1.947340  113.9679 54.93439 183.9232 85.68472 -69.95525      101.7824 
1 1 1 0   19 18 o 213.1118 60.69543 1.201523       0.9616265 1.148912       1.166810  1.312923       1.697874  204.3413 79.12951 221.8824 92.05576 -17.54111      121.3909 
1 1 1 0   19 19 o 269.3319 65.33929 2.712718       1.114238  3.080360       1.348772  1.922573       1.977334  299.6544 84.98750 239.0095 99.26740 60.64485       130.6786 
1 1 1 0   20 0  o 2454.644 67.45090 155.7155       8.366491  166.8282       11.84852  144.6646       11.81556  2543.750 92.00385 2365.537 98.65994 178.2126       134.9018 
1 1 1 0   20 1  o 1877.513 49.93277 90.30277       4.478870  88.52329       5.470477  93.92100       7.800573  1856.212 58.21220 1898.815 81.14472 -42.60254      99.86554 
1 1 1 0   20 2  o 925.5588 34.82900 21.97887       1.625978  22.30194       2.321189  21.66761       2.278369  932.2275 49.35767 918.8903 49.15342 13.33722       69.65800 
1 1 1 0   20 3  o 544.0057 48.71709 8.096391       1.230014  9.014924       1.565345  6.613861       1.988677  590.5899 52.91387 497.4216 81.81407 93.16833       97.43418 
1 1 1 0   20 4  o 910.8936 41.64717 21.38246       1.820740  21.22519       2.255768  21.67643       3.084181  908.9397 49.20350 912.8474 67.20835 -3.907715      83.29433 
1 1 1 0   20 5  o 1042.432 42.09970 27.44328       2.097494  30.05648       3.667166  26.17273       2.557055  1074.703 67.74654 1010.163 49.99944 64.53998       84.19939 
1 1 1 0   20 6  o 619.8218 35.76345 9.930504       1.112396  9.784813       1.567858  10.07818       1.578526  615.1579 50.79711 624.4857 50.35624 -9.327759      71.52690 
1 1 1 0   20 7  o 162.1121 45.96928 0.2893690      0.5988224 -0.2647920     0.9339581 0.6762092      0.7803244 145.4208 64.32326 178.8034 65.69030 -33.38252      91.93855 
1 1 1 0   20 8  o 314.9470 49.66859 2.712614       0.7720046 2.463579       1.118092  2.939512       1.067241  300.0195 74.05862 329.8744 66.20573 -29.85489      99.33719 
1 1 1 0   20 9  o 443.1609 41.40339 5.207253       0.9056354 5.153424       1.256262  5.265496       1.306754  441.0465 57.64043 445.2754 59.45204 -4.228851      82.80679 
1 1 1 0   20 10 o 548.6225 49.31918 8.611705       1.161351  9.278351       1.385868  7.039506       2.128276  596.5494 46.24870 500.6956 87.12396 95.85385       98.63837 
1 1 1 0   20 11 o 527.5824 61.53080 8.314731       1.324122  8.748998       1.529619  7.016383       2.644848  574.7898 53.16656 480.3750 110.9841 94.41476       123.0616 
1 1 1 0   20 12 o 430.2483 70.67846 5.235348       1.546846  3.125895       1.982513  8.517910       2.473077  321.9269 105.4598 538.5697 94.12762 -216.6428      141.3569 
1 1 1 0   20 13 o 178.6229 56.23464 -0.1645087     0.9773823 -0.1934067     1.204444  -0.1087860     1.672512  163.7753 72.71397 193.4705 85.80220 -29.69524      112.4693 
1 1 1 0   20 14 o 474.1273 55.01820 6.580789       1.135970  6.692069       1.345596  6.304746       2.119316  496.4235 54.43287 451.8311 95.62986 44.59244       110.0364 
1 1 1 0   20 15 o 285.8006 79.93653 2.491492       1.201889  2.491492       1.201889  0.000000       0.000000  285.8006 79.93653 ?        ?        ?              ?        
1 1 1 0   20 16 f 490.9864 67.64508 7.900338       1.542814  7.697308       1.899129  8.294387       2.645749  502.5670 77.10249 479.4058 111.1694 23.16113       135.2902 
1 1 1 0   20 17 o 258.6651 62.20862 1.901284       0.9745191 1.017573       1.197528  3.633889       1.676796  198.4208 79.14977 318.9094 95.99460 -120.4886      124.4172 
1 1 1 0   20 18 o 512.3450 56.10790 8.544544       1.308289  8.991214       1.630736  7.737806       2.191576  555.6478 58.86609 469.0421 95.53622 86.60574       112.2158 
1 1 1 0   20 19 o 257.4646 64.12827 1.726924       1.098466  0.2383067      1.323874  5.016599       1.968029  167.7097 75.22338 347.2195 103.8806 -179.5098      128.2565 
1 1 1 0   21 1  o 531.0801 39.62635 7.327757       1.047812  6.835433       1.450685  7.864752       1.515072  512.0381 56.92476 550.1220 55.14129 -38.08386      79.25269 
1 1 1 0   21 2  o 387.6670 46.87351 3.989846       0.8760636 5.109415       1.284934  3.017363       1.197558  441.2316 58.99899 334.1024 72.85343 107.1292       93.74702 
1 1 1 0   21 3  f 882.1776 41.85200 19.56785       1.762388  22.17075       3.093680  18.31730       2.144361  921.5068 66.76484 842.8483 50.48580 78.65851       83.70400 
1 1 1 0   21 4  o 919.3086 43.99184 22.65362       1.916747  24.24891       2.401550  19.85404       3.181395  970.2322 49.05058 868.3850 73.04224 101.8472       87.98369 
1 1 1 0   21 5  o 451.1757 68.25187 5.797200       1.514195  4.360823       2.229115  7.027803       2.063277  392.8982 108.4913 509.4532 82.84264 -116.5550      136.5037 
1 1 1 0   21 6  o 305.6892 51.89759 2.598317       0.7980126 2.083205       1.188033  3.021809       1.077209  276.7466 80.16718 334.6318 65.92924 -57.88516      103.7952 
1 1 1 0   21 7  o 915.7061 34.06264 21.71792       1.573467  21.95767       2.241963  21.48521       2.208843  920.6579 48.26829 910.7542 48.07522 9.903748       68.12529 
1 1 1 0   21 8  o 400.9157 45.51912 4.338434       0.8925714 4.336873       1.269191  4.339961       1.255493  400.6948 64.77483 401.1367 63.97016 -0.4418640     91.03824 
1 1 1 0   21 9  o 153.7341 45.36765 -0.6653603E-01 0.6534477 0.6983336      0.8654969 -1.080519      0.9965226 182.4275 68.76503 125.0407 59.19685 57.38677       90.73531 
1 1 1 0   21 10 o 216.6193 78.34322 1.153158       1.103632  0.000000       0.000000  1.153158       1.103632  ?        ?        216.6193 78.34322 ?              ?        
1 1 1 0   21 11 o 347.3127 70.50203 3.632664       1.324799  2.776314       1.804329  4.634304       1.951399  304.7532 100.6466 389.8723 98.75428 -85.11905      141.0041 
1 1 1 0   21 12 o 251.2688 62.91097 1.088840       1.029491  0.2949539E-01  1.243595  3.395809       1.835191  172.9749 75.43582 329.5626 100.7005 -156.5877      125.8219 
1 1 1 0   21 13 o 207.3847 59.80682 0.8802052      0.9093917 1.159708       1.007939  -0.3431323     2.108699  209.6295 74.98394 205.1399 93.19245 4.489594       119.6136 
1 1 1 0   21 14 f 266.5608 70.74844 2.104271       1.277718  1.681553       1.660086  2.718623       2.001305  244.8926 94.50988 288.2289 105.3055 -43.33633      141.4969 
1 1 1 0   21 15 o 419.8701 61.96724 6.454538       1.237095  7.838830       1.514299  3.676858       2.145057  526.3530 57.77673 313.3871 109.6431 212.9659       123.9345 
1 1 1 0   21 16 o 319.0079 68.58578 3.855673       1.310262  4.959941       1.732785  2.381214       2.002275  380.3331 91.17493 257.6827 102.4850 122.6504       137.1716 
1 1 1 0   21 17 o 182.8676 56.08820 0.5459959      0.9142582 0.4856107      1.113921  0.6706377      1.600373  171.1964 72.98393 194.5388 85.18739 -23.34241      112.1764 
1 1 1 0   21 18 o 184.5739 55.56991 0.5498542      1.046646  1.570235       1.237252  -2.017873      1.962690  216.0845 82.03219 153.0632 74.98519 63.02132       111.1398 
1 1 1 0   22 0  o 270.5634 67.31084 1.683720       1.154093  2.086632       1.640981  1.289382       1.623427  288.7604 96.01242 252.3665 94.36424 36.39386       134.6217 
1 1 1 0   22 1  o 685.5311 37.36202 12.16525       1.284163  11.24506       1.762695  13.20602       1.874631  657.6584 53.40231 713.4038 52.26734 -55.74536      74.72404 
1 1 1 0   22 2  o 470.8248 43.32765 5.849503       1.007376  6.166003       1.453244  5.556746       1.397671  483.4265 60.71736 458.2231 61.82672 25.20331       86.65530 
1 1 1 0   22 3  o 628.8024 45.41472 10.15588       1.359687  9.551395       1.668152  11.35242       2.346958  604.7306 55.09098 652.8741 72.21475 -48.14355      90.82944 
1 1 1 0   22 4  o 292.3961 65.75173 2.369490       0.9960406 1.537577       2.264532  2.569040       1.109085  278.8469 109.5932 305.9453 72.68079 -27.09836      131.5035 
1 1 1 0   22 5  o 395.3557 49.99322 4.232495       0.9616150 4.530345       1.422104  3.981581       1.305255  408.1415 71.42536 382.5698 69.96931 25.57169       99.98643 
1 1 1 0   22 6  o 633.9539 38.88970 10.50351       1.226036  12.39218       1.809390  8.900215       1.667093  687.7557 52.35873 580.1520 57.51694 107.6036       77.77940 
1 1 1 0   22 7  o 543.9526 49.56887 7.757404       1.228970  8.826289       2.265477  7.311684       1.462936  563.1710 81.85408 524.7343 55.93034 38.43671       99.13775 
1 1 1 0   22 8  o 277.4617 62.81239 1.839593       0.9062303 3.155636       1.789805  1.385882       1.050896  326.4691 99.38074 228.4543 76.84432 98.01486       125.6248 
1 1 1 0   22 9  o 175.4090 70.99930 0.4673253      0.9788470 0.4673253      0.9788470 0.000000       0.000000  175.4090 70.99930 ?        ?        ?              ?        
1 1 1 0   22 10 o 315.9507 66.67338 2.571389       1.153982  1.449353       1.412735  4.821177       2.000452  237.4630 88.17822 394.4384 100.0298 -156.9754      133.3468 
1 1 1 0   22 11 o 298.7274 64.60249 2.281720       0.9625335 1.723468       1.109254  3.983190       1.936548  244.6775 78.79407 352.7773 102.3984 -108.0998      129.2050 
1 1 1 0   22 12 o 194.4046 56.78907 0.3636953      0.9494390 -0.4758708     1.279031  1.394094       1.416956  158.1584 72.13073 230.6507 87.73341 -72.49237      113.5781 
1 1 1 0   22 13 o 264.0326 59.55581 0.9272168      0.8809878 -0.9425150E-01 0.9911590 4.770982       1.922690  149.1017 66.09204 378.9634 99.09298 -229.8617      119.1116 
1 1 1 0   22 14 o 240.1962 83.45087 1.813903       1.241581  1.813903       1.241581  0.000000       0.000000  240.1962 83.45087 ?        ?        ?              ?        
1 1 1 0   22 15 o 168.6929 58.36586 -1.504260      1.249241  -1.766494      1.404928  -0.5138793     2.730301  133.1316 64.83279 204.2543 97.07214 -71.12268      116.7317 
1 1 1 0   22 16 o 208.2888 65.29530 1.000347       1.240514  1.222096       1.371131  -0.3958047E-05 2.912216  205.8424 83.77026 210.7353 100.1821 -4.892929      130.5906 
1 1 1 0   22 17 o 433.5609 65.11401 6.883952       1.335019  6.989244       1.662407  6.692719       2.240370  465.8055 72.88271 401.3163 107.9233 64.48929       130.2280 
1 1 1 0   23 1  o 338.8188 53.01324 3.147560       0.8837128 2.748967       1.190008  3.637632       1.319519  314.5127 75.65804 363.1250 74.27972 -48.61230      106.0265 
1 1 1 0   23 2  o 499.3316 54.96121 7.244984       1.227121  8.106989       1.521068  5.638162       2.076719  554.6267 54.89132 444.0365 95.23593 110.5902       109.9224 
1 1 1 0   23 3  o 467.9360 54.72715 6.027021       1.184637  6.010448       1.458923  6.059096       2.029651  473.4640 62.38316 462.4080 89.93657 11.05600       109.4543 
1 1 1 0   23 4  o 608.4166 62.19518 11.17082       1.495283  8.835735       3.019066  11.92981       1.721222  542.6243 113.5445 674.2089 50.79973 -131.5846      124.3904 
1 1 1 0   23 5  o 350.2647 56.45551 3.364352       0.9693346 4.311767       1.535903  2.737180       1.249646  390.2851 80.40733 310.2443 79.26892 80.04077       112.9110 
1 1 1 0   23 6  o 316.5535 63.48327 3.097584       1.044617  2.076172       2.024834  3.468036       1.219425  281.1490 105.3355 351.9581 70.88670 -70.80914      126.9665 
1 1 1 0   23 7  o 289.6310 66.85102 1.951393       1.050696  1.230262       1.227541  3.927347       2.031970  223.2950 82.33767 355.9670 105.3411 -132.6720      133.7020 
1 1 1 0   23 8  o 299.1266 65.90942 2.809459       1.119235  3.237274       1.324996  1.743860       2.091141  332.7989 79.69463 265.4544 104.9999 67.34451       131.8188 
1 1 1 0   23 9  o 152.4635 47.22058 -0.3235239     0.7488085 0.5153232      1.024102  -1.287225      1.097672  178.2454 72.45222 126.6816 60.57896 51.56382       94.44116 
1 1 1 0   23 10 o 165.5155 50.79336 0.9616384E-01  0.7840545 -0.2014810E-04 1.201745  0.1674500      1.034579  167.7370 73.62585 163.2941 69.99355 4.442871       101.5867 
1 1 1 0   23 11 o 335.6792 60.05589 4.051418       1.095349  5.001199       1.289939  1.596330       2.073916  420.8469 62.43594 250.5114 102.6089 170.3355       120.1118 
1 1 1 0   23 12 o 392.2592 58.89220 4.769379       1.136642  5.881441       1.664978  3.798744       1.555507  441.2709 77.34771 343.2475 88.82847 98.02338       117.7844 
1 1 1 0   23 13 o 451.0493 64.81487 7.352297       1.197724  7.838208       1.358865  5.660282       2.535712  530.4785 51.23463 371.6200 119.0751 158.8585       129.6297 
1 1 1 0   23 14 o 497.8715 59.19718 7.263721       1.462868  7.263721       1.462868  0.000000       0.000000  497.8715 59.19718 ?        ?        ?              ?        
1 1 1 0   23 15 o 201.4419 65.78888 -0.2808565     1.278465  -1.261068      1.452085  3.098619       2.696229  141.7890 68.28218 261.0949 112.4733 -119.3060      131.5778 
1 1 1 0   23 16 o 149.6321 52.73228 -2.185187      1.331322  -1.626618      1.485900  -4.458591      2.997709  136.0777 66.35666 163.1866 81.97295 -27.10892      105.4646 
1 1 1 0   23 17 o 171.8978 59.75231 -1.151325      1.710453  -1.016217      2.066090  -1.445635      3.049367  163.1060 79.24500 180.6897 89.45157 -17.58369      119.5046 
1 1 1 0   24 0  o 616.1451 58.39398 10.26515       1.767526  11.11010       2.481790  9.395411       2.517921  644.4616 77.62669 587.8286 87.25550 56.63300       116.7880 
1 1 1 0   24 1  o 676.3418 40.77106 12.35144       1.363353  13.88493       1.879273  10.64765       1.980882  724.9421 51.53968 627.7416 63.18842 97.20050       81.54211 
1 1 1 0   24 2  f 532.4462 60.40301 8.105739       1.571316  7.735307       2.232871  8.469157       2.211634  518.1878 88.27676 546.7047 82.47003 -28.51685      120.8060 
1 1 1 0   24 3  o 247.1813 82.82423 1.680795       1.220772  0.000000       0.000000  1.680795       1.220772  ?        ?        247.1813 82.82423 ?              ?        
1 1 1 0   24 4  o 202.9285 57.60858 0.6945297      0.9285134 1.166248       1.232743  0.7601325E-01  1.411584  220.1361 82.24582 185.7208 80.68842 34.41530       115.2172 
1 1 1 0   24 5  o 187.4177 56.61914 0.1073440      0.8536406 -0.2081077     0.9974558 0.9708171      1.650257  148.7402 66.09875 226.0952 91.94489 -77.35497      113.2383 
1 1 1 0   24 6  o 258.1129 57.94628 1.946345       0.8579128 1.629861       1.302868  2.188621       1.139935  242.7210 85.41789 273.5047 78.32541 -30.78369      115.8926 
1 1 1 0   24 7  o 277.4628 56.89561 2.298928       0.8381835 2.163103       1.343210  2.385545       1.072652  269.3485 86.70273 285.5770 73.69587 -16.22855      113.7912 
1 1 1 0   24 8  o 173.5278 53.55489 0.1572759      0.8313333 -0.1639488     1.551890  0.2865543      0.9845089 182.3081 81.63062 164.7476 69.34655 17.56058       107.1098 
1 1 1 0   24 9  o 254.5275 61.10988 1.993490       0.9570543 1.376497       1.616651  2.326391       1.187502  232.7621 92.24162 276.2929 80.18200 -43.53087      122.2198 
1 1 1 0   24 10 o 148.9293 51.38614 -1.232357      0.8965261 -1.133623      0.9829035 -1.721197      2.187060  119.1668 57.07518 178.6918 85.46675 -59.52503      102.7723 
1 1 1 0   24 11 o 195.0943 51.40332 0.8390779      0.7930977 1.758038       1.020054  -0.5655876     1.261135  239.1492 75.40725 151.0395 69.87814 88.10966       102.8066 
1 1 1 0   24 12 o 279.1653 65.66472 2.758681       1.090694  2.488824       1.551045  3.022654       1.534044  265.9262 93.22293 292.4045 92.50355 -26.47830      131.3294 
1 1 1 0   24 13 o 312.4152 64.26319 3.527557       1.054038  3.406873       1.315770  3.743726       1.760967  316.1058 81.64449 308.7245 99.26333 7.381317       128.5264 
1 1 1 0   24 14 f 449.6294 66.29646 6.301851       1.463853  6.301851       1.463853  0.000000       0.000000  449.6294 66.29646 ?        ?        ?              ?        
1 1 1 0   24 15 o 159.7554 52.95686 -0.2120633     1.019791  0.1948225      1.165165  -1.544254      2.108309  157.9675 70.73192 161.5433 78.83343 -3.575775      105.9137 
1 1 1 0   24 16 o 238.4938 66.63300 2.728443       1.304900  3.120877       1.447151  1.021533       3.018117  273.3299 90.12956 203.6576 98.16562 69.67230       133.2660 
1 1 1 0   25 1  o 379.6227 70.23310 4.601696       1.405038  5.697705       1.931445  3.369782       2.047696  434.4022 90.74889 324.8431 107.2166 109.5591       140.4662 
1 1 1 0   25 2  o 212.3458 81.63876 1.054334       1.235174  1.054334       1.235174  0.000000       0.000000  212.3458 81.63876 ?        ?        ?              ?        
1 1 1 0   25 3  f 419.4860 64.40663 5.101088       1.248107  6.187972       2.264107  4.626614       1.495930  440.5127 103.3095 398.4594 76.94156 42.05338       128.8133 
1 1 1 0   25 4  f 239.1777 58.60216 1.471774       0.8820533 2.390149       1.378482  0.8350653      1.147788  280.5187 87.53619 197.8368 77.93758 82.68198       117.2043 
1 1 1 0   25 5  o 427.6898 65.25842 6.433798       1.310160  7.553730       1.568406  3.847789       2.383295  521.6107 60.51651 333.7690 115.6391 187.8417       130.5168 
1 1 1 0   25 6  o 304.3522 61.16503 2.884856       0.9861088 2.935245       1.428518  2.838989       1.362929  306.2083 87.67811 302.4962 85.30647 3.712097       122.3301 
1 1 1 0   25 7  o 360.5009 55.80027 3.931953       0.9834757 4.032414       1.493032  3.854952       1.307124  361.2315 83.33655 359.7702 74.22736 1.461365       111.6005 
1 1 1 0   25 8  o 245.6815 59.78927 1.833275       0.9017595 2.109002       1.317714  1.590410       1.236699  259.2664 86.02914 232.0965 83.05429 27.16998       119.5785 
1 1 1 0   25 9  o 288.1068 61.24139 2.893685       1.053919  1.455135       1.801023  3.642822       1.299683  232.7406 95.50858 343.4731 76.68208 -110.7324      122.4828 
1 1 1 0   25 10 o 230.3623 63.79186 0.3815965      1.046633  -0.7859135     1.203699  4.000041       2.119085  140.6580 66.12037 320.0666 109.1133 -179.4086      127.5837 
1 1 1 0   25 11 o 142.1416 46.61199 -0.4398319     0.7712798 -0.5670181     0.9753949 -0.2276165     1.259937  128.9472 60.26313 155.3361 71.12711 -26.38889      93.22398 
1 1 1 0   25 12 o 202.0188 61.32446 1.092741       1.114664  1.422759       1.709344  0.8485796      1.470276  212.9955 90.59694 191.0420 82.67377 21.95346       122.6489 
1 1 1 0   25 13 o 178.5119 55.07766 0.4401986      0.8733979 -0.6416299E-01 1.050155  1.571780       1.572987  144.4786 65.68527 212.5453 88.42872 -68.06677      110.1553 
1 1 1 0   25 14 o 175.5728 55.25766 0.4349917      1.078410  1.266381       1.245545  -2.054314      2.155243  196.2775 79.85566 154.8682 76.39835 41.40933       110.5153 
1 1 1 0   25 15 o 242.0093 66.28677 1.156237       1.110980  -0.3903652     1.264778  6.380659       2.324577  142.3537 67.17953 341.6650 114.2920 -199.3113      132.5735 
1 1 1 0   26 0  o 348.4453 74.91010 3.615615       1.451529  4.137117       2.033904  3.074304       2.072174  372.1225 103.9538 324.7681 107.8874 47.35440       149.8202 
1 1 1 0   26 1  o 401.3086 65.81644 6.143143       1.359237  7.471138       1.597202  2.655710       2.588299  514.8328 62.56463 287.7844 115.8140 227.0484       131.6329 
1 1 1 0   26 2  o 532.9998 58.44400 8.859640       1.407308  9.595639       1.752997  7.525379       2.360276  585.9851 59.93302 480.0144 100.3536 105.9707       116.8880 
1 1 1 0   26 3  o 347.5786 68.36338 3.284100       1.203029  6.456897       2.262493  2.033439       1.420483  438.4553 103.5735 256.7019 89.25663 181.7534       136.7268 
1 1 1 0   26 4  o 289.7358 63.97176 2.642371       1.012019  3.055948       1.681123  2.407310       1.267394  302.5822 96.95526 276.8893 83.48188 25.69287       127.9435 
1 1 1 0   26 5  o 333.3914 56.77585 3.460856       0.9937437 5.018547       1.446116  2.067158       1.367877  410.7541 72.17440 256.0287 87.66325 154.7255       113.5517 
1 1 1 0   26 6  o 182.7716 54.71499 0.4229312      0.9122512 -0.4108787     1.427128  0.9990239      1.186248  164.6804 75.51364 200.8627 79.19981 -36.18230      109.4300 
1 1 1 0   26 7  o 334.9646 71.50227 3.377004       1.156618  5.743420       2.414447  2.672228       1.317643  384.4673 115.0691 285.4619 84.90816 99.00537       143.0045 
1 1 1 0   26 8  o 273.6809 62.09724 2.551671       0.9778051 2.362565       1.393527  2.735077       1.372366  263.5634 88.48986 283.7984 87.14249 -20.23499      124.1945 
1 1 1 0   26 9  o 338.5640 60.34128 4.487847       1.148880  2.179306       1.987159  5.646936       1.408063  246.1391 100.5853 430.9888 66.68495 -184.8497      120.6826 
1 1 1 0   26 10 o 195.9275 61.45172 -0.1411114E-01 1.057588  -0.9335645     1.214502  2.870426       2.151154  134.1296 64.02381 257.7254 104.9105 -123.5959      122.9034 
1 1 1 0   26 11 o 207.6578 59.24016 1.439937       1.089020  -0.6273333     2.090359  2.210034       1.275837  173.0597 82.97887 242.2559 84.57005 -69.19620      118.4803 
1 1 1 0   26 12 o 256.6490 61.85801 2.621463       0.9396169 2.598614       1.112399  2.678360       1.755382  268.3894 77.52345 244.9086 96.41456 23.48079       123.7160 
1 1 1 0   26 13 o 216.9616 61.68049 1.846400       0.9749296 1.858767       1.090324  1.797077       2.177460  222.7262 78.15607 211.1970 95.44401 11.52913       123.3610 
1 1 1 0   26 14 o 281.1463 70.03828 3.903486       1.218218  3.644153       1.513787  4.380100       2.052198  284.9522 92.07683 277.3404 105.5618 7.611786       140.0766 
1 1 1 0   27 1  o 208.5153 64.19054 0.6975850      1.089806  0.5630956      1.234782  1.171547       2.318024  183.6848 77.50824 233.3458 102.3434 -49.66096      128.3811 
1 1 1 0   27 2  o 165.3740 54.42978 -0.5995337     1.089135  -0.8633441     1.745324  -0.4312834     1.393824  169.5287 79.66832 161.2194 74.18464 8.309296       108.8596 
1 1 1 0   27 3  o 320.7079 63.44059 3.470754       1.075415  3.832076       1.526554  3.114768       1.515241  339.4248 88.07540 301.9910 91.33212 37.43387       126.8812 
1 1 1 0   27 4  o 419.2787 63.51352 6.037689       1.231937  6.358296       1.489285  5.342881       2.192420  464.1262 65.17741 374.4311 109.0311 89.69513       127.0270 
1 1 1 0   27 5  o 329.6578 73.07242 3.492148       1.153074  5.618009       2.594313  2.968807       1.287203  359.8699 120.7393 299.4457 82.34283 60.42426       146.1448 
1 1 1 0   27 6  o 234.0191 65.02679 1.788014       1.094437  1.893287       1.878535  1.733922       1.346573  238.0887 97.60399 229.9495 85.94997 8.139191       130.0536 
1 1 1 0   27 7  o 150.9188 49.26948 -0.4528449     0.9151121 -1.779604      1.549340  0.2579995      1.134065  139.2309 67.86441 162.6068 71.44472 -23.37592      98.53896 
1 1 1 0   27 8  o 244.4518 64.55470 1.481221       0.9952549 4.482840       2.015228  0.5129439      1.144580  319.5229 106.4066 169.3807 73.12232 150.1422       129.1094 
1 1 1 0   27 9  o 131.3346 44.08931 -0.6494597     0.7641201 -0.5918505     1.248768  -0.6839399     0.9660965 140.6683 66.49625 122.0009 57.91127 18.66746       88.17861 
1 1 1 0   27 10 o 262.4803 71.88091 2.510004       1.224184  1.353689       1.410126  6.047737       2.466507  198.1436 83.17694 326.8171 117.2564 -128.6735      143.7618 
1 1 1 0   27 11 o 188.6647 58.21452 1.128330       1.065410  0.2157542      2.023903  1.478156       1.253087  177.3186 84.06725 200.0108 80.55071 -22.69220      116.4290 
1 1 1 0   27 12 o 176.8230 55.07226 0.4891490      0.9275933 -0.3540951     1.142305  2.121685       1.589414  136.2663 64.16618 217.3796 89.52383 -81.11327      110.1445 
1 1 1 0   27 13 o 217.5322 61.67966 2.338836       1.083116  2.545019       1.250240  1.718562       2.168496  240.4215 83.72935 194.6429 90.59206 45.77858       123.3593 
1 1 1 0   28 0  o 616.6353 91.82269 11.49568       2.779119  11.49568       2.779119  0.000000       0.000000  616.6353 91.82269 ?        ?        ?              ?        
1 1 1 0   28 1  o 351.5564 69.38740 4.224358       1.355190  7.580418       2.241942  2.292071       1.701161  453.3042 100.3421 249.8086 95.86403 203.4956       138.7748 
1 1 1 0   28 2  o 164.8890 72.09326 0.3044414      1.142306  0.000000       0.000000  0.3044414      1.142306  ?        ?        164.8890 72.09326 ?              ?        
1 1 1 0   28 3  o 169.2657 52.60304 0.3016543      0.8797944 0.6768216      1.237291  -0.8203220E-01 1.251261  180.9898 77.03334 157.5417 71.65322 23.44817       105.2061 
1 1 1 0   28 4  o 150.8398 49.58990 -0.4270699     0.9259443 -0.9963856     1.415384  -0.1116996E-02 1.224273  144.1940 68.90775 157.4857 71.33272 -13.29170      99.17981 
1 1 1 0   28 5  o 197.3935 56.94910 1.168183       0.8961511 1.308535       1.325789  1.050112       1.216013  203.3582 82.51823 191.4288 78.50824 11.92946       113.8982 
1 1 1 0   28 6  o 170.8589 54.78604 0.1595491      1.035203  -0.5491425     1.403612  1.004825       1.532913  149.2361 70.53177 192.4818 83.85291 -43.24577      109.5721 
1 1 1 0   28 7  o 239.1214 54.64017 1.455435       1.124415  -2.245654      1.663998  4.565483       1.525357  132.8899 65.83977 345.3530 87.21993 -212.4631      109.2803 
1 1 1 0   28 8  o 156.0086 51.96843 0.3346320E-01  0.9202868 -1.698919      2.411954  0.3286396      0.9956073 161.4772 79.87160 150.5399 66.50864 10.93726       103.9369 
1 1 1 0   28 9  o 205.6931 61.12160 1.531723       0.9984832 2.721039       1.824248  1.023034       1.193058  232.2562 95.81048 179.1301 75.91937 53.12605       122.2432 
1 1 1 0   28 10 o 204.4029 64.82816 1.780791       1.270163  1.597344       1.436399  2.438580       2.719962  198.3772 83.64642 210.4286 99.06582 -12.05141      129.6563 
1 1 1 0   28 11 o 189.0071 63.01500 1.211337       1.624014  2.560787       2.210427  -0.3714796     2.393938  210.9554 95.67233 167.0587 82.03880 43.89668       126.0300 
1 1 1 0   28 12 o 152.0027 50.29266 0.2793117      0.9439982 0.9061763E-01  1.216020  0.5654916      1.497549  143.3332 67.08257 160.6723 74.94890 -17.33910      100.5853 
1 1 1 0   29 1  o 193.4547 62.03797 0.9399318      1.319222  0.6327475      1.995332  1.178489       1.758378  189.0877 87.62706 197.8217 87.84267 -8.734024      124.0759 
1 1 1 0   29 2  o 166.2863 55.04000 -0.4393785E-01 1.151769  0.2447656      1.710425  -0.2834561     1.557928  174.0180 80.81390 158.5546 74.74438 15.46339       110.0800 
1 1 1 0   29 3  o 216.7390 58.09563 1.641130       0.9616261 2.908873       1.391104  0.4809374      1.330789  265.4250 88.40769 168.0531 75.39557 97.37183       116.1913 
1 1 1 0   29 4  o 175.1033 52.88326 0.5430529      0.9371420 1.791855       1.266877  -0.9660671     1.392674  213.1647 82.47891 137.0419 66.21015 76.12283       105.7665 
1 1 1 0   29 5  o 163.1007 50.58874 0.2035623      0.8689809 1.559057       1.262321  -1.017407      1.198046  200.6220 80.82934 125.5794 60.85639 75.04262       101.1775 
1 1 1 0   29 6  o 241.9323 62.98190 2.764729       1.055653  2.261129       1.699739  3.080958       1.346913  216.8452 91.18879 267.0193 86.89928 -50.17407      125.9638 
1 1 1 0   29 7  o 190.9831 59.50330 1.420833       1.158639  0.6442167      1.748668  2.028603       1.546941  172.9632 80.78520 209.0030 87.38606 -36.03975      119.0066 
1 1 1 0   29 8  o 142.9280 48.59066 -0.3595536     0.9715706 -3.430408      2.478003  0.1982647      1.056133  141.9529 71.70280 143.9031 65.59662 -1.950150      97.18132 
1 1 1 0   29 9  o 295.6207 93.58549 4.254679       1.569930  4.254679       1.569930  0.000000       0.000000  295.6207 93.58549 ?        ?        ?              ?        
1 1 1 0   29 10 o 150.6951 74.50242 -0.7696823     2.089469  -0.7696823     2.089469  0.000000       0.000000  150.6951 74.50242 ?        ?        ?              ?        
1 1 1 0   29 11 o 134.8322 65.90800 -0.5524580     1.491544  0.000000       0.000000  -0.5524580     1.491544  ?        ?        134.8322 65.90800 ?              ?        
1 1 1 0   30 0  o 401.0921 112.1808 6.437485       2.367090  0.000000       0.000000  6.437485       2.367090  ?        ?        401.0921 112.1808 ?              ?        
1 1 1 0   30 1  o 183.4461 58.27781 1.247415       1.158258  1.659797       1.468449  0.5684161      1.884274  195.3467 83.55109 171.5456 81.26762 23.80112       116.5556 
1 1 1 0   30 2  o 221.0220 86.05402 2.316083       1.385724  2.316083       1.385724  0.000000       0.000000  221.0220 86.05402 ?        ?        ?              ?        
1 1 1 0   30 3  o 147.9264 48.94464 0.7626573E-02  0.9315592 -0.6124399     1.356510  0.5610424      1.281532  136.2009 65.68994 159.6519 72.57508 -23.45103      97.88927 
1 1 1 0   30 4  f 225.1664 62.73364 2.613780       1.064376  2.836590       1.441700  2.346838       1.578030  237.7644 88.92169 212.5684 88.51538 25.19601       125.4673 
1 1 1 0   30 5  o 150.6868 50.38450 0.4194438E-01  1.040724  0.5986819      1.302779  -0.9399486     1.730126  159.2330 72.68925 142.1406 69.79013 17.09247       100.7690 
1 1 1 0   30 6  o 238.6205 65.06654 3.450982       1.315797  4.504399       1.652274  1.624786       2.175483  292.3110 96.30157 184.9300 87.52499 107.3810       130.1331 
1 1 1 0   30 7  o 167.0040 55.68335 0.6767479      1.129382  1.858377       1.995388  0.1197882      1.369931  186.9278 86.96779 147.0802 69.56396 39.84760       111.3667 
1 1 1 0   30 8  o 200.2867 86.82772 0.8050770      1.402804  2.367684       1.627487  -3.711276      2.766856  200.2867 86.82772 ?        ?        ?              ?        
1 1 1 0   30 9  o 156.1947 55.02708 -0.5488915     1.284409  -2.057661      1.491307  3.785184       2.527574  115.2925 57.90229 197.0968 93.59083 -81.80422      110.0542 
1 1 1 0   31 1  o 129.7693 45.74578 -1.499332      1.170626  -1.666914      1.921961  -1.400498      1.475994  135.0708 67.53094 124.4678 61.72743 10.60300       91.49155 
1 1 1 0   31 2  o 117.5820 41.63064 -1.557255      0.8832685 -1.876953      1.058513  -0.8242923     1.602754  99.46791 49.78773 135.6961 66.73547 -36.22815      83.26128 
1 1 1 0   31 3  o 152.3615 51.23129 0.3518778      1.098915  0.8122846      1.385310  -0.4295937     1.804815  159.6272 73.63521 145.0958 71.24912 14.53139       102.4626 
1 1 1 0   31 4  o 172.0236 55.49556 1.355697       1.071071  1.372978       1.442379  1.334456       1.599171  172.7972 77.92298 171.2500 79.03821 1.547180       110.9911 
1 1 1 0   31 5  o 119.2011 41.66508 -1.190937      0.9060454 -1.769224      1.228251  -0.5006082     1.341972  108.1469 54.05721 130.2554 63.41713 -22.10857      83.33015 
1 1 1 0   31 6  o 135.8649 47.84277 -0.9978529     1.221316  -2.070721      1.582960  0.5801229      1.919761  117.4243 59.05871 154.3055 75.28472 -36.88117      95.68553 
1 1 1 0   31 7  o 146.2586 51.71996 -0.7156171E-01 1.603563  0.2487074      2.161513  -0.4635909     2.391440  148.3100 73.74407 144.2072 72.53707 4.102722       103.4399 
1 1 1 0   32 0  o 199.1259 65.57034 0.7569823      1.506912  -0.2561974     1.856554  2.713354       2.579823  167.9032 79.86967 230.3486 104.0131 -62.44543      131.1407 
1 1 1 0   32 1  o 143.4231 49.20217 0.3990914      1.113716  0.2606027      1.537152  0.5521249      1.615857  140.7362 68.37110 146.1101 70.77292 -5.373917      98.40434 
1 1 1 0   32 2  o 176.2865 55.47871 2.050849       1.146187  2.812747       1.375807  0.3224066      2.072223  206.5887 83.97528 145.9843 72.52380 60.60435       110.9574 
1 1 1 0   32 3  o 130.7168 45.35633 -0.2286200     1.041774  0.2541080      1.293196  -1.121030      1.758309  135.0742 64.89810 126.3594 63.38000 8.714806       90.71267 
1 1 1 0   32 4  o 160.5940 55.25323 1.595428       1.269843  0.8088941      1.480125  3.788676       2.471632  145.1224 69.64722 176.0655 85.79592 -30.94310      110.5065 
1 1 1 0   32 5  o 182.2278 80.53468 2.594555       1.460984  2.594555       1.460984  0.000000       0.000000  182.2278 80.53468 ?        ?        ?              ?        
1 1 1 1   0  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   0  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   0  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   0  3  o 15957.84 244.3783 6468.628       278.9172  6468.628       278.9172  6468.628       278.9172  15957.84 345.6031 15957.84 345.6031 0.000000       0.000000 
1 1 1 1   0  4  o 11017.39 169.7732 3081.105       133.7767  3081.105       133.7767  3081.105       133.7767  11017.39 240.0955 11017.39 240.0955 0.000000       0.000000 
1 1 1 1   0  5  o 7581.658 168.3545 1463.330       91.18359  1463.330       91.18359  1463.330       91.18359  7581.658 238.0892 7581.658 238.0892 0.000000       0.000000 
1 1 1 1   0  6  o 1201.080 33.60173 36.71307       2.879289  36.71307       2.879289  36.71307       2.879289  1201.080 47.52002 1201.080 47.52002 0.000000       0.000000 
1 1 1 1   0  7  o ?        ?        13.23880       1.576479  13.23880       1.576479  13.23880       1.576479  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 1   0  8  o 646.5163 45.59070 10.91296       2.062203  10.91296       2.062203  10.91296       2.062203  646.5163 64.47499 646.5163 64.47499 0.000000       0.000000 
1 1 1 1   0  9  o 355.2805 37.81445 3.407397       0.8975565 3.407397       0.8975565 3.407397       0.8975565 355.2805 53.47771 355.2805 53.47771 0.000000       0.000000 
1 1 1 1   0  10 o 1574.154 53.04800 63.33842       5.947861  63.33842       5.947861  63.33842       5.947861  1574.154 75.02119 1574.154 75.02119 0.000000       0.000000 
1 1 1 1   0  11 o 1724.737 38.76834 75.73062       4.776434  75.73062       4.776434  75.73062       4.776434  1724.737 54.82671 1724.737 54.82671 0.000000       0.000000 
1 1 1 1   0  12 o 378.2005 39.86113 3.861714       1.008760  3.861714       1.008760  3.861714       1.008760  378.2005 56.37215 378.2005 56.37215 0.000000       0.000000 
1 1 1 1   0  13 o 1650.074 38.53578 69.31286       4.541418  69.31286       4.541418  69.31286       4.541418  1650.074 54.49782 1650.074 54.49782 0.000000       0.000000 
1 1 1 1   0  14 o 609.8713 49.36762 9.831906       2.082557  9.831906       2.082557  9.831906       2.082557  609.8713 69.81636 609.8713 69.81636 0.000000       0.000000 
1 1 1 1   0  15 o 1442.417 52.76830 53.58707       5.416275  53.58707       5.416275  53.58707       5.416275  1442.417 74.62564 1442.417 74.62564 0.000000       0.000000 
1 1 1 1   0  16 o 840.0366 35.75569 18.15883       2.132667  18.15883       2.132667  18.15883       2.132667  840.0366 50.56618 840.0366 50.56618 0.000000       0.000000 
1 1 1 1   0  17 o 1085.831 36.67921 30.32346       2.836718  30.32346       2.836718  30.32346       2.836718  1085.831 51.87224 1085.831 51.87224 0.000000       0.000000 
1 1 1 1   0  18 o 701.0987 36.37480 12.80860       1.803312  12.80860       1.803312  12.80860       1.803312  701.0987 51.44173 701.0987 51.44173 0.000000       0.000000 
1 1 1 1   0  19 o 353.0438 95.31731 4.643575       2.271139  4.643575       2.271139  4.643575       2.271139  353.0438 134.7990 353.0438 134.7990 0.000000       0.000000 
1 1 1 1   0  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   0  21 o 181.0704 77.92609 1.183702       1.894356  1.183702       1.894356  1.183702       1.894356  181.0704 110.2041 181.0704 110.2041 0.000000       0.000000 
1 1 1 1   0  22 o 142.7170 65.50043 0.3440467      1.596537  0.3440467      1.596537  0.3440467      1.596537  142.7170 92.63161 142.7170 92.63161 0.000000       0.000000 
1 1 1 1   0  23 o 366.4048 73.28168 4.728855       1.664932  4.728855       1.664932  4.728855       1.664932  366.4048 103.6359 366.4048 103.6359 0.000000       0.000000 
1 1 1 1   1  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   1  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   1  2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   1  3  f 4124.270 68.34658 430.7207       14.27053  427.8159       20.18155  433.6254       20.18161  4110.358 96.98199 4138.181 96.33024 -27.82324      136.6932 
1 1 1 1   1  4  o 7356.040 140.2149 1367.022       49.32153  1356.381       60.40778  1388.301       85.42315  7315.463 163.1051 7396.616 228.1176 -81.15234      280.4299 
1 1 1 1   1  5  o 3152.484 68.17360 253.1938       10.23031  247.6770       17.71406  255.9548       12.53141  3126.077 111.9270 3178.892 77.86471 -52.81543      136.3472 
1 1 1 1   1  6  o 2282.465 44.47152 132.2269       5.138815  133.0704       7.267148  131.3833       7.267617  2289.766 62.68872 2275.165 63.09507 14.60034       88.94303 
1 1 1 1   1  7  o ?        ?        21.06228       1.446399  22.50846       2.054183  19.64024       2.036960  ?        ?        ?        ?        ?              ?        
1 1 1 1   1  8  o 2061.810 42.05076 107.9332       4.388980  106.1385       6.204470  109.7308       6.209442  2044.605 59.93929 2079.015 58.99446 -34.41028      84.10152 
1 1 1 1   1  9  o 2662.565 60.73179 180.9850       7.699154  182.6120       9.430182  177.7323       13.33340  2682.415 69.44013 2642.715 99.65675 39.69922       121.4636 
1 1 1 1   1  10 o 1105.877 41.41015 31.26150       2.170854  30.68841       3.764641  31.54699       2.657116  1096.566 68.14900 1115.188 47.06289 -18.62231      82.82030 
1 1 1 1   1  11 o 3330.352 58.24318 283.6537       9.819438  279.6867       13.88598  287.6215       13.88759  3306.823 82.94341 3353.880 81.78912 -47.05688      116.4864 
1 1 1 1   1  12 o 313.3096 40.18822 2.578810       0.6128504 2.382502       0.8775296 2.765719       0.8562644 300.9088 59.71022 325.7103 53.80577 -24.80151      80.37643 
1 1 1 1   1  13 o 1977.052 41.56217 99.39108       4.159365  101.6133       5.888042  97.17760       5.876435  1999.202 58.17423 1954.903 59.37521 44.29883       83.12434 
1 1 1 1   1  14 o 1271.974 43.06166 40.39940       2.618278  38.63268       3.189033  44.05347       4.586297  1232.384 51.11277 1311.565 69.31603 -79.18103      86.12333 
1 1 1 1   1  15 o 713.8464 44.16172 13.33924       1.475552  12.48340       2.540422  13.77496       1.812661  693.8421 73.43668 733.8507 49.07223 -40.00861      88.32343 
1 1 1 1   1  16 o 1246.376 35.83464 39.65242       2.259578  37.76427       3.182284  41.57232       3.208933  1216.244 51.68145 1276.508 49.65392 -60.26392      71.66927 
1 1 1 1   1  17 o 1113.246 44.43775 31.86634       2.366139  32.43682       4.059727  31.57287       2.911839  1116.514 72.20727 1109.978 51.81664 6.536011       88.87550 
1 1 1 1   1  18 o 834.3621 44.18196 17.19254       1.750130  21.16897       3.142578  15.40479       2.107134  897.8527 69.68072 770.8714 54.33950 126.9813       88.36393 
1 1 1 1   1  19 o 252.4965 77.81693 1.708181       1.093208  1.708181       1.093208  0.000000       0.000000  252.4965 77.81693 ?        ?        ?              ?        
1 1 1 1   1  20 o 438.8886 70.10069 5.565300       1.523131  6.100917       2.139003  5.014360       2.169384  463.0295 94.44712 414.7477 103.6155 48.28183       140.2014 
1 1 1 1   1  21 o 648.9657 42.76641 11.26472       1.387981  10.88869       1.920632  11.67577       2.008091  637.7271 60.19967 660.2043 60.76071 -22.47729      85.53282 
1 1 1 1   1  22 o 188.7032 58.47830 -0.1872612     1.037959  -0.7350803     1.298233  0.7833759      1.728075  154.8741 71.38688 222.5324 92.64319 -67.65837      116.9566 
1 1 1 1   1  23 o 517.1049 62.60975 8.100033       1.460946  8.342223       1.779718  7.599639       2.558166  547.0897 65.56119 487.1201 106.6848 59.96957       125.2195 
1 1 1 1   2  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   2  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   2  2  o 11706.47 254.8092 3483.423       151.0163  3476.735       213.5682  3490.110       213.5706  11695.18 360.6998 11717.75 360.0092 -22.56641      509.6184 
1 1 1 1   2  3  o 7746.750 149.2582 1527.184       55.08080  1505.179       95.41095  1538.184       67.45702  7702.538 244.6700 7790.962 171.0222 -88.42432      298.5163 
1 1 1 1   2  4  o 8798.065 166.0986 1955.414       69.91542  1935.490       85.63078  1995.255       121.0907  8735.354 193.6269 8860.776 269.9327 -125.4219      332.1973 
1 1 1 1   2  5  o 1867.445 55.91664 88.31213       5.286551  0.000000       0.000000  88.31213       5.286551  ?        ?        1867.445 55.91664 ?              ?        
1 1 1 1   2  6  o 2043.424 50.92512 105.8261       4.973363  104.7926       6.086269  107.9029       8.627834  2030.482 59.20636 2056.366 82.87387 -25.88464      101.8502 
1 1 1 1   2  7  o ?        ?        267.3082       9.299876  272.2822       13.15263  262.3352       13.15139  ?        ?        ?        ?        ?              ?        
1 1 1 1   2  8  o 2927.187 52.64319 217.8073       7.801301  216.1028       11.02995  219.5136       11.03546  2915.682 74.72224 2938.692 74.17419 -23.00928      105.2864 
1 1 1 1   2  9  o 2922.497 64.35325 217.0468       8.978223  216.7679       10.99675  217.6043       15.54872  2921.884 74.33915 2923.110 105.0669 -1.226074      128.7065 
1 1 1 1   2  10 o 2244.067 62.86346 127.9796       7.141967  0.000000       0.000000  127.9796       7.141967  ?        ?        2244.067 62.86346 ?              ?        
1 1 1 1   2  11 o 546.7706 43.19148 7.899830       1.069735  8.219706       1.292806  7.205264       1.905017  567.1447 45.40594 526.3966 73.48685 40.74811       86.38297 
1 1 1 1   2  12 o 1176.318 34.27350 35.12941       2.040875  35.71902       2.884600  34.53846       2.887868  1186.232 48.03218 1166.405 48.90400 19.82739       68.54700 
1 1 1 1   2  13 o 987.8970 34.02374 24.83246       1.697116  25.56163       2.374636  24.07117       2.426370  1003.450 46.74313 972.3444 49.45240 31.10516       68.04749 
1 1 1 1   2  14 f 1477.622 52.94717 55.94090       3.953127  56.53596       5.558000  55.33169       5.623712  1486.741 73.84134 1468.503 75.90170 18.23792       105.8943 
1 1 1 1   2  15 o 1021.743 48.48966 26.58505       2.508270  0.000000       0.000000  26.58505       2.508270  ?        ?        1021.743 48.48966 ?              ?        
1 1 1 1   2  16 o 705.7750 43.28558 12.54609       1.433149  12.00618       1.728526  13.73352       2.563424  684.0839 50.26141 727.4661 70.48657 -43.38226      86.57117 
1 1 1 1   2  17 o 757.2219 43.84703 14.90976       1.569502  14.99435       1.928545  14.74385       2.700883  763.5378 50.16948 750.9060 71.92547 12.63177       87.69407 
1 1 1 1   2  18 o 856.3555 35.85630 18.85028       1.543367  17.21760       2.103510  20.75408       2.271453  816.1015 51.17045 896.6096 50.24225 -80.50806      71.71261 
1 1 1 1   2  19 o 651.5737 47.75692 11.02236       1.481092  10.46164       1.821320  12.11710       2.544882  631.5142 57.60022 671.6332 76.19125 -40.11908      95.51383 
1 1 1 1   2  20 o 685.5503 47.09162 11.49334       1.539857  16.72510       2.708772  8.995436       1.871704  790.9266 68.31825 580.1740 64.83131 210.7526       94.18324 
1 1 1 1   2  21 o 368.2690 56.37839 3.824292       1.019407  3.364862       1.380928  4.374477       1.511178  343.1149 80.82686 393.4232 78.62004 -50.30826      112.7568 
1 1 1 1   2  22 o 505.9852 51.45089 7.197519       1.272061  6.264618       1.757663  8.223569       1.843325  468.3236 76.79458 543.6467 68.49358 -75.32309      102.9018 
1 1 1 1   2  23 o 616.8792 46.54345 10.58083       1.428939  10.94911       2.091238  10.25829       1.957077  625.9915 67.02779 607.7668 64.59448 18.22467       93.08691 
1 1 1 1   3  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   3  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   3  2  o 12521.28 272.4517 3989.209       172.7028  4035.754       244.2386  3942.664       244.2387  12594.71 383.0388 12447.86 387.5576 146.8496       544.9033 
1 1 1 1   3  3  o 16068.18 303.3418 6598.837       232.3175  6548.305       402.3999  6624.100       284.5247  16000.91 496.7404 16135.45 348.3015 -134.5361      606.6835 
1 1 1 1   3  4  o 3955.397 66.12982 396.2659       13.24217  392.8448       18.72635  399.6877       18.72816  3938.312 93.92027 3972.483 93.12141 -34.17139      132.2596 
1 1 1 1   3  5  o 6999.221 136.4409 1253.788       45.46778  1233.801       78.76093  1263.778       55.68345  6948.796 223.8812 7049.646 156.0182 -100.8506      272.8818 
1 1 1 1   3  6  o 2478.672 63.35852 172.7273       7.402077  176.0600       9.063295  166.0514       12.82746  2559.459 69.94463 2397.885 105.6644 161.5737       126.7170 
1 1 1 1   3  7  o ?        ?        66.55409       3.052335  65.51506       4.313874  67.59581       4.319437  ?        ?        ?        ?        ?              ?        
1 1 1 1   3  8  o 1465.517 35.91720 54.45752       2.664828  54.89107       3.772363  54.02568       3.764920  1471.346 50.64248 1459.687 50.94626 11.65881       71.83440 
1 1 1 1   3  9  f 1888.082 49.09991 90.14539       4.435298  89.44572       5.435397  91.53964       7.672889  1878.000 57.16787 1898.164 79.84384 -20.16443      98.19982 
1 1 1 1   3  10 o 1866.142 49.32417 88.73812       4.387543  88.30035       7.605922  88.95645       5.371336  1860.994 80.72784 1871.291 56.69665 -10.29712      98.64833 
1 1 1 1   3  11 o 807.5049 41.05336 16.82195       1.554998  17.09592       1.896597  16.26010       2.716046  819.2104 45.91443 795.7995 68.06892 23.41089       82.10671 
1 1 1 1   3  12 o 658.3541 42.31213 11.22598       1.302667  10.77101       2.260625  11.45216       1.593907  646.6526 70.17805 670.0555 47.28959 -23.40295      84.62426 
1 1 1 1   3  13 o 1896.567 50.24239 92.16740       4.533443  93.13540       5.551718  90.23014       7.853833  1913.860 57.29721 1879.273 82.54829 34.58728       100.4848 
1 1 1 1   3  14 o 484.8763 53.62656 6.057325       1.294382  6.057325       1.294382  0.000000       0.000000  484.8763 53.62656 ?        ?        ?              ?        
1 1 1 1   3  15 o 306.2429 56.61757 2.546421       0.8442222 2.210461       1.549798  2.688173       1.006691  293.9625 92.97529 318.5233 64.63585 -24.56082      113.2351 
1 1 1 1   3  16 o 868.1688 42.21474 19.30545       1.730440  19.13370       2.108338  19.65998       3.029094  864.6815 48.35530 871.6560 69.21058 -6.974487      84.42949 
1 1 1 1   3  17 o 320.8286 50.04585 2.802617       0.7890043 3.097170       1.062294  2.440188       1.178349  341.1568 63.85146 300.5005 77.08009 40.65637       100.0917 
1 1 1 1   3  18 o 656.1957 37.77202 11.18240       1.243356  11.18771       1.785575  11.17740       1.732373  656.0914 54.24287 656.3000 52.57960 -0.2085571     75.54404 
1 1 1 1   3  19 o 643.3759 39.79034 10.84536       1.283016  10.78664       1.811694  10.90444       1.817235  641.5908 56.34626 645.1609 56.19772 -3.570129      79.58067 
1 1 1 1   3  20 o 393.0663 65.57999 4.188933       1.253091  5.552589       2.087775  3.421060       1.566664  439.5481 96.46710 346.5844 88.86527 92.96362       131.1600 
1 1 1 1   3  21 o 210.7841 57.96450 0.8362388      0.8608121 0.5837337      1.076323  1.284423       1.433957  187.2715 74.92326 234.2969 88.46491 -47.02541      115.9290 
1 1 1 1   3  22 o 637.8929 44.85991 11.26676       1.410398  12.30059       1.924866  10.06825       2.072516  674.7819 56.87496 601.0039 69.38938 73.77795       89.71983 
1 1 1 1   3  23 o 496.8357 55.12500 7.172327       1.339364  7.468754       1.883784  6.869286       1.904681  509.4255 75.31124 484.2459 80.51881 25.17963       110.2500 
1 1 1 1   4  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   4  1  o 11351.85 349.8023 3276.314       201.0356  3276.314       201.0356  0.000000       0.000000  11351.85 349.8023 ?        ?        ?              ?        
1 1 1 1   4  2  o 16282.33 354.4705 6779.563       292.1411  6935.190       413.1515  6623.939       413.1483  16471.12 495.4532 16093.54 507.0735 377.5801       708.9410 
1 1 1 1   4  3  o 3833.283 128.7482 372.2802       24.98593  372.2802       24.98593  0.000000       0.000000  3833.283 128.7482 ?        ?        ?              ?        
1 1 1 1   4  4  o 4859.985 96.24908 597.1830       22.36229  604.1899       38.71593  593.6751       27.39401  4879.961 156.7075 4840.010 111.7958 39.95068       192.4982 
1 1 1 1   4  5  o 3693.990 76.48496 346.9647       13.47337  345.7189       23.34924  347.5866       16.49696  3686.794 125.0951 3701.187 88.03984 -14.39307      152.9699 
1 1 1 1   4  6  o ?        ?        38.59595       2.432568  38.25418       2.970224  39.29219       4.239285  ?        ?        ?        ?        ?              ?        
1 1 1 1   4  7  o 2292.714 45.02116 134.5718       5.225587  133.2671       7.389096  135.8772       7.391098  2281.475 63.97231 2303.954 63.36530 -22.47925      90.04231 
1 1 1 1   4  8  o 1015.229 32.45754 26.12747       1.667673  26.95912       2.360701  25.29899       2.356197  1031.378 45.21053 999.0806 46.58299 32.29706       64.91508 
1 1 1 1   4  9  o 1418.011 43.60659 50.67363       2.956421  52.07716       5.136291  49.97824       3.615377  1432.050 70.84476 1403.972 50.86412 28.07825       87.21318 
1 1 1 1   4  10 o 1223.661 41.72911 37.84014       2.436474  39.00290       4.228669  37.26229       2.981042  1235.860 67.84466 1211.462 48.60429 24.39746       83.45822 
1 1 1 1   4  11 o 2597.452 61.14080 174.9434       7.521734  179.3408       9.211465  166.1444       13.03012  2652.400 68.59714 2542.504 101.2286 109.8962       122.2816 
1 1 1 1   4  12 o 2516.534 47.62361 161.2609       6.062345  153.2658       8.556404  169.3201       8.590600  2453.557 68.88292 2579.512 65.78128 -125.9551      95.24722 
1 1 1 1   4  13 f 1009.607 34.01281 25.88017       1.737423  24.62691       2.434010  27.18212       2.480835  984.6434 48.82696 1034.570 47.36466 -49.92633      68.02561 
1 1 1 1   4  14 o 1284.392 35.41393 41.98059       2.302429  40.99803       3.247156  42.97408       3.265171  1269.217 50.53402 1299.568 49.62760 -30.35132      70.82786 
1 1 1 1   4  15 o 836.9286 43.24279 18.07353       1.706847  17.79539       2.962631  18.21172       2.088240  829.8190 71.20959 844.0382 49.08107 -14.21924      86.48559 
1 1 1 1   4  16 o 492.8061 48.43519 6.384677       1.100563  6.431422       1.346462  6.290581       1.910345  498.6146 54.21264 486.9977 80.27989 11.61688       96.87038 
1 1 1 1   4  17 o 521.6661 39.26131 7.052627       1.018622  6.784065       1.385015  7.369040       1.503348  511.0441 54.36671 532.2881 56.65743 -21.24396      78.52263 
1 1 1 1   4  18 o 531.5955 40.49286 7.439711       1.064597  7.888695       1.456484  6.924655       1.559973  550.3672 52.92464 512.8239 61.29982 37.54333       80.98571 
1 1 1 1   4  19 o 348.2853 58.13168 3.584410       1.040007  2.056394       1.612445  4.672901       1.360923  279.8828 95.18114 416.6878 66.76617 -136.8050      116.2634 
1 1 1 1   4  20 o 271.3596 67.60513 1.766424       1.124975  2.605668       1.877474  1.296322       1.405161  306.0302 102.7126 236.6889 87.93149 69.34129       135.2103 
1 1 1 1   4  21 o 546.5981 54.26392 7.830621       1.329198  7.147159       1.558696  9.652560       2.544903  514.1292 61.07817 579.0670 89.70924 -64.93781      108.5278 
1 1 1 1   4  22 o 181.9547 52.64709 0.3819690      0.8138395 1.006524       1.092531  -0.3966357     1.219851  205.6646 77.31160 158.2449 71.48273 47.41969       105.2942 
1 1 1 1   4  23 o 174.4799 55.66169 -0.2039637     0.9698913 -0.4906138E-01 1.151034  -0.5832416     1.801101  163.2712 71.85123 185.6885 85.03114 -22.41733      111.3234 
1 1 1 1   5  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   5  1  o 8391.554 184.5060 1787.868       78.38250  1806.225       110.8493  1769.511       110.8499  8434.763 259.5832 8348.345 262.2715 86.41797       369.0119 
1 1 1 1   5  2  o 829.5756 43.89711 17.52403       1.829406  18.17897       2.594924  16.87686       2.579485  845.1560 61.05718 813.9951 63.08601 31.16095       87.79421 
1 1 1 1   5  3  o 2929.240 104.7113 217.3812       15.52859  217.3812       15.52859  0.000000       0.000000  2929.240 104.7113 ?        ?        ?              ?        
1 1 1 1   5  4  o 951.1230 38.14685 22.86562       1.733763  23.25319       2.984720  22.66824       2.129957  956.1059 61.99574 946.1401 44.46637 9.965759       76.29371 
1 1 1 1   5  5  o 2076.607 42.38592 109.6890       4.456125  110.0963       6.301920  109.2817       6.301906  2080.482 59.83088 2072.733 60.05440 7.748291       84.77184 
1 1 1 1   5  6  o ?        ?        50.62068       3.589984  51.56888       5.075070  49.67104       5.078942  ?        ?        ?        ?        ?              ?        
1 1 1 1   5  7  o 2267.786 54.03149 130.0830       5.860743  133.6792       10.17025  128.2950       7.171174  2288.918 87.76431 2246.654 63.04786 42.26367       108.0630 
1 1 1 1   5  8  o 1145.541 46.89551 33.25884       2.719728  33.25884       2.719728  0.000000       0.000000  1145.541 46.89551 ?        ?        ?              ?        
1 1 1 1   5  9  o 389.5033 50.92397 3.964227       0.9631236 3.837876       1.294870  4.120691       1.440933  382.8068 69.36748 396.1997 74.57317 -13.39291      101.8479 
1 1 1 1   5  10 o 2391.125 57.58046 147.5573       6.534094  141.8843       11.31656  150.3944       8.002890  2352.200 95.02905 2430.049 65.05013 -77.84839      115.1609 
1 1 1 1   5  11 o 2617.072 61.06160 176.5428       7.588745  179.1837       9.290011  171.2464       13.15618  2651.597 69.20303 2582.547 100.6231 69.04956       122.1232 
1 1 1 1   5  12 o 1899.603 40.69714 91.72876       3.912931  94.26364       5.542276  89.20947       5.525204  1925.868 56.84314 1873.338 58.25706 52.52979       81.39428 
1 1 1 1   5  13 o 1730.768 48.50204 77.12897       3.988190  78.59307       4.888666  74.21563       6.896054  1757.853 54.93184 1703.684 79.95175 54.16943       97.00407 
1 1 1 1   5  14 o 1312.409 43.87082 43.92192       2.741889  44.41015       4.753375  43.67846       3.356604  1315.028 71.66793 1309.789 50.61919 5.239746       87.74164 
1 1 1 1   5  15 o 724.8750 44.23951 14.03774       1.506719  11.95971       2.497268  15.22719       1.889352  678.2595 73.92234 771.4905 48.62125 -93.23096      88.47903 
1 1 1 1   5  16 o 835.5160 43.72181 17.92701       1.693873  17.77901       2.034606  18.26125       3.057651  833.0002 48.45427 838.0317 72.79127 -5.031555      87.44361 
1 1 1 1   5  17 o 956.3572 35.81593 23.54568       1.727724  23.15025       2.444049  23.94068       2.442694  948.1667 51.10320 964.5477 50.19547 -16.38098      71.63185 
1 1 1 1   5  18 f 1508.239 47.66132 59.06286       3.418131  57.97013       4.169181  61.30330       5.969814  1496.318 55.03555 1520.161 77.82990 -23.84277      95.32263 
1 1 1 1   5  19 o 936.7297 44.13187 22.99693       1.978221  23.54490       3.371368  22.70919       2.442994  939.5371 71.41204 933.9222 51.87301 5.614868       88.26375 
1 1 1 1   5  20 o 859.5881 49.33946 20.28386       1.983988  18.59125       3.385162  21.16945       2.448610  821.5308 82.50498 897.6454 54.13370 -76.11469      98.67892 
1 1 1 1   5  21 o 237.5668 63.32794 1.299460       0.9839572 1.127327       1.193448  1.664813       1.738712  217.6061 80.99839 257.5275 97.37029 -39.92137      126.6559 
1 1 1 1   5  22 o 172.5942 52.54823 -0.3313571     0.9156790 0.9563323      1.289693  -1.640323      1.300304  210.3381 82.69381 134.8504 64.86139 75.48770       105.0965 
1 1 1 1   5  23 o 232.8122 66.33269 1.090759       1.161866  0.6079744      1.444047  1.977054       1.956563  200.9906 84.26135 264.6339 102.4701 -63.64331      132.6654 
1 1 1 1   6  0  o 4986.951 113.9150 630.4916       28.76058  632.7415       40.67433  628.2419       40.67287  4995.862 160.8149 4978.041 161.3848 17.82178       227.8300 
1 1 1 1   6  1  o 6339.252 141.6618 1019.831       45.46463  1017.518       64.29520  1022.145       64.29818  6332.044 200.5631 6346.460 200.1168 -14.41602      283.3236 
1 1 1 1   6  2  o 694.8933 43.61476 12.32379       1.518417  12.27484       2.151739  12.37235       2.143020  693.4863 61.93879 696.3004 61.42129 -2.814087      87.22952 
1 1 1 1   6  3  o 2640.692 68.83588 176.8570       9.195172  168.4398       12.99425  185.2994       13.01364  2577.640 99.57386 2703.744 95.07135 -126.1035      137.6718 
1 1 1 1   6  4  o 1659.344 53.00768 69.79703       4.453063  0.000000       0.000000  69.79703       4.453063  ?        ?        1659.344 53.00768 ?              ?        
1 1 1 1   6  5  o ?        ?        135.7053       7.439034  134.8344       10.51328  136.5785       10.52750  ?        ?        ?        ?        ?              ?        
1 1 1 1   6  6  o ?        ?        56.01410       3.132373  56.93511       3.828618  54.14951       5.447522  ?        ?        ?        ?        ?              ?        
1 1 1 1   6  7  o 496.6835 31.93726 6.316741       0.7891662 7.170750       1.127484  5.496519       1.104956  530.2149 42.35602 463.1522 47.81132 67.06274       63.87452 
1 1 1 1   6  8  o 1028.171 39.87663 26.87775       1.956959  26.90957       2.406951  26.81570       3.361311  1030.406 46.13972 1025.935 65.05157 4.470947       79.75326 
1 1 1 1   6  9  o 1701.103 46.17780 72.46364       3.777818  77.04298       6.534103  70.16420       4.630152  1739.830 74.18150 1662.377 55.01512 77.45264       92.35561 
1 1 1 1   6  10 o 1343.264 35.00529 45.85307       2.380287  44.95630       3.359433  46.75714       3.373076  1330.034 49.89069 1356.494 49.11619 -26.45959      70.01057 
1 1 1 1   6  11 o 2428.562 58.11466 152.0864       6.696102  154.9100       8.197422  146.4244       11.60818  2466.697 65.64140 2390.427 95.91903 76.26929       116.2293 
1 1 1 1   6  12 o 1406.023 36.23268 50.21900       2.578642  51.38919       3.647956  49.05036       3.645545  1422.450 50.65577 1389.597 51.81913 32.85352       72.46536 
1 1 1 1   6  13 o 469.7512 45.15225 5.767540       0.9941356 5.867229       1.238139  5.586658       1.667796  477.5078 52.05952 461.9946 73.78827 15.51318       90.30450 
1 1 1 1   6  14 o 1749.063 49.02773 78.72237       4.086736  77.22530       7.055960  79.47809       5.013212  1732.979 80.42281 1765.148 56.09851 -32.16919      98.05545 
1 1 1 1   6  15 o 1077.422 35.25629 29.65068       1.919874  31.38589       2.701555  27.88020       2.728873  1109.597 48.09111 1045.246 51.56810 64.35120       70.51258 
1 1 1 1   6  16 o 740.2125 44.21103 14.42073       1.523638  14.86125       1.861144  13.52555       2.653110  761.0249 48.55887 719.4001 73.89517 41.62482       88.42206 
1 1 1 1   6  17 o 1226.194 36.39966 38.66304       2.259305  38.58746       3.166515  38.74143       3.224556  1225.131 51.05231 1227.258 51.89799 -2.126709      72.79932 
1 1 1 1   6  18 o 267.7653 63.07484 1.632731       0.8846668 1.368494       1.011781  2.490596       1.823053  230.4171 75.33246 305.1136 101.1868 -74.69650      126.1497 
1 1 1 1   6  19 o 318.7826 62.59259 2.951528       1.025714  2.327118       1.822820  3.240853       1.240800  294.8457 101.1898 342.7195 73.70184 -47.87384      125.1852 
1 1 1 1   6  20 o 567.8478 56.42820 8.908480       1.496773  8.999119       2.533768  8.859897       1.855039  562.0922 92.23849 573.6035 65.02792 -11.51129      112.8564 
1 1 1 1   6  21 o 199.0554 59.05808 0.4445478      1.015286  0.8948563      1.266632  -0.3647644     1.698061  208.9057 82.00843 189.2051 85.00614 19.70065       118.1162 
1 1 1 1   6  22 o 540.8503 46.71102 8.132915       1.249640  7.487739       1.719354  8.855364       1.819404  517.0559 67.27509 564.6448 64.82083 -47.58887      93.42204 
1 1 1 1   6  23 o 451.9379 70.07671 6.492635       1.422358  6.448865       1.667605  6.609486       2.724731  472.6918 71.95456 431.1840 120.2727 41.50784       140.1534 
1 1 1 1   7  0  o 3159.986 78.30855 253.1088       12.52758  255.1887       17.71750  251.0293       17.71585  3172.986 110.2937 3146.987 111.1945 25.99878       156.6171 
1 1 1 1   7  1  o 3019.443 75.73272 231.2810       11.56495  243.4943       16.35922  219.0794       16.35140  3099.300 104.2595 2939.587 109.8715 159.7124       151.4654 
1 1 1 1   7  2  f 3117.459 109.8210 246.6208       17.33284  246.6208       17.33284  0.000000       0.000000  3117.459 109.8210 ?        ?        ?              ?        
1 1 1 1   7  3  o 1787.387 78.05001 81.11367       7.062774  0.000000       0.000000  81.11367       7.062774  ?        ?        1787.387 78.05001 ?              ?        
1 1 1 1   7  4  o ?        ?        58.92927       3.282725  60.98907       4.011993  54.75676       5.710142  ?        ?        ?        ?        ?              ?        
1 1 1 1   7  5  o ?        ?        27.81669       2.005979  27.41669       2.443619  28.64325       3.512701  ?        ?        ?        ?        ?              ?        
1 1 1 1   7  6  o 2748.318 50.43246 192.3058       7.015193  197.5654       9.922638  187.0497       9.919325  2786.104 70.34709 2710.532 72.28429 75.57202       100.8649 
1 1 1 1   7  7  o 2134.333 42.41944 115.5577       4.583639  115.3575       6.482090  115.7580       6.482399  2132.480 60.04078 2136.186 59.93948 -3.706055      84.83888 
1 1 1 1   7  8  o 988.8350 39.82591 25.25957       1.866202  26.08743       2.299975  23.66414       3.192874  1014.470 44.78169 963.2004 65.87118 51.26923       79.65182 
1 1 1 1   7  9  o 343.4317 43.44731 3.196140       0.6936234 2.709484       1.144614  3.478563       0.8719632 319.8120 72.38137 367.0514 48.07923 -47.23932      86.89462 
1 1 1 1   7  10 o 425.5939 35.12191 4.695415       0.7366135 5.045584       1.011828  4.300563       1.074447  443.3686 45.73406 407.8193 53.31594 35.54926       70.24381 
1 1 1 1   7  11 o 192.6406 44.78007 0.9013593      0.5054454 0.8538893      0.7103502 0.9500398      0.7193501 188.9615 63.18020 196.3196 63.47662 -7.358170      89.56014 
1 1 1 1   7  12 o 713.7572 33.61760 13.00558       1.206399  12.34419       1.710718  13.65988       1.701530  695.4543 48.89870 732.0601 46.14639 -36.60577      67.23520 
1 1 1 1   7  13 o 2066.344 53.45264 110.9626       5.234289  114.2458       6.421590  104.4628       9.035399  2116.893 59.91837 2015.795 88.53545 101.0979       106.9053 
1 1 1 1   7  14 o 673.7791 43.31569 11.85998       1.375502  11.19748       2.338606  12.21040       1.700805  656.9324 71.46883 690.6258 48.96122 -33.69342      86.63137 
1 1 1 1   7  15 o 343.1324 48.21836 3.122257       0.8137872 1.685277       1.103494  4.835537       1.204921  255.0381 78.11286 431.2268 56.55461 -176.1887      96.43673 
1 1 1 1   7  16 o 721.3688 36.40737 13.43407       1.316444  14.01512       1.817653  12.79303       1.909185  738.4916 48.89290 704.2460 53.95804 34.24554       72.81474 
1 1 1 1   7  17 o 206.6867 50.58899 0.5624414      0.7004071 -0.2415539     0.8750681 1.995775       1.168392  141.1146 62.34819 272.2588 79.68491 -131.1441      101.1780 
1 1 1 1   7  18 o 424.9207 59.73238 5.087929       1.135153  5.248896       1.348968  4.697416       2.101119  444.3907 61.61681 405.4507 102.3484 38.94000       119.4648 
1 1 1 1   7  19 o 523.5819 45.37006 7.322666       1.176274  6.930720       1.627892  7.750888       1.701557  508.5356 64.69425 538.6283 63.62721 -30.09271      90.74011 
1 1 1 1   7  20 o 458.3912 51.48263 5.941514       1.120823  6.662759       1.483349  4.981783       1.711104  498.1313 60.02783 418.6512 83.65707 79.48010       102.9653 
1 1 1 1   7  21 o 453.7937 58.42845 5.669252       1.237646  4.973773       1.511470  7.084435       2.156075  418.4132 74.06303 489.1742 90.38916 -70.76102      116.8569 
1 1 1 1   7  22 o 464.8903 53.12397 6.233645       1.207681  6.240500       1.705887  6.226757       1.709959  465.2708 74.96769 464.5098 75.28925 0.7609863      106.2479 
1 1 1 1   7  23 o 223.4868 57.40016 0.7593246      1.006304  2.771001       1.476165  -0.9871563     1.375427  295.9327 90.29169 151.0409 70.89799 144.8918       114.8003 
1 1 1 1   8  0  o 2635.621 68.96762 176.4592       9.199156  170.8292       13.00654  182.0944       13.01260  2593.410 99.06194 2677.832 95.98365 -84.42163      137.9352 
1 1 1 1   8  1  o 5053.192 116.5568 654.6995       29.81815  658.7023       42.16867  650.6964       42.16979  5068.840 164.3227 5037.545 165.3480 31.29541       233.1135 
1 1 1 1   8  2  o 1835.622 79.28146 85.91827       7.367813  85.91827       7.367813  0.000000       0.000000  1835.622 79.28146 ?        ?        ?              ?        
1 1 1 1   8  3  o ?        ?        134.9732       10.48041  0.000000       0.000000  134.9732       10.48041  ?        ?        ?        ?        ?              ?        
1 1 1 1   8  4  o ?        ?        93.32132       3.897570  94.26539       4.493944  90.45560       7.829643  ?        ?        ?        ?        ?              ?        
1 1 1 1   8  5  o 1752.317 38.24135 78.17477       3.392352  79.17615       4.796262  77.17236       4.798760  1763.613 53.71752 1741.021 54.44291 22.59192       76.48270 
1 1 1 1   8  6  o 2992.819 63.60724 224.9901       9.133349  237.1848       15.84423  218.9213       11.17729  3050.351 102.5977 2935.288 75.21458 115.0630       127.2145 
1 1 1 1   8  7  o 2086.371 42.18921 110.4335       4.455940  112.0806       6.300920  108.7856       6.302382  2101.969 59.20987 2070.773 60.11579 31.19531       84.37841 
1 1 1 1   8  8  o 2425.920 45.82882 149.5730       5.628537  150.2097       7.958756  148.9358       7.961152  2431.108 64.66322 2420.732 64.95992 10.37524       91.65765 
1 1 1 1   8  9  o 395.6776 34.48685 4.033742       0.6748656 4.361278       0.9704559 3.727016       0.9391232 411.6466 47.43359 379.7086 50.07420 31.93796       68.97370 
1 1 1 1   8  10 o 833.8243 32.02868 17.70853       1.346666  18.12897       1.903958  17.28764       1.904990  843.8222 44.72763 823.8265 45.85612 19.99567       64.05736 
1 1 1 1   8  11 o 439.9312 46.66162 5.036457       0.9279049 5.020736       1.670163  5.043476       1.115988  437.1126 78.34933 442.7499 50.70117 -5.637268      93.32323 
1 1 1 1   8  12 o 1154.172 34.18364 33.86891       1.994540  36.10263       2.829006  31.66121       2.812477  1192.164 46.87208 1116.180 49.77041 75.98438       68.36729 
1 1 1 1   8  13 o 2014.982 42.39305 103.6155       4.323601  100.7259       6.098804  106.5352       6.130307  1986.551 60.64030 2043.413 59.25736 -56.86267      84.78609 
1 1 1 1   8  14 o 1155.010 35.02886 34.00853       2.048292  34.19546       2.899832  33.82241       2.893624  1158.191 49.45486 1151.829 49.62158 6.362183       70.05772 
1 1 1 1   8  15 o 1024.017 35.03661 26.77557       1.816190  27.28192       2.591065  26.28650       2.546476  1033.538 49.51860 1014.496 49.57988 19.04150       70.07322 
1 1 1 1   8  16 o 287.3529 53.46780 2.423042       0.8567045 0.7683105      1.448002  3.314228       1.062648  221.1506 87.40613 353.5552 61.60674 -132.4046      106.9356 
1 1 1 1   8  17 o 536.0887 42.91748 7.655006       1.123807  8.756852       1.551151  6.437670       1.630418  579.9119 53.43444 492.2655 67.17442 87.64639       85.83496 
1 1 1 1   8  18 f 861.1855 36.15594 19.26379       1.567542  18.07705       2.176857  20.54190       2.259107  833.2586 51.85910 889.1125 50.39485 -55.85394      72.31188 
1 1 1 1   8  19 o 665.7466 40.03931 11.71031       1.335322  12.19840       1.881573  11.21503       1.895363  680.5487 55.08319 650.9446 58.12424 29.60413       80.07862 
1 1 1 1   8  20 o 550.0341 46.02183 8.238993       1.251855  8.612026       1.732341  7.831286       1.811062  565.1771 61.53770 534.8911 68.44814 30.28601       92.04366 
1 1 1 1   8  21 o 251.8866 64.90366 1.732184       1.076542  1.530973       1.513945  1.937987       1.531120  242.5919 91.04471 261.1814 92.52458 -18.58957      129.8073 
1 1 1 1   8  22 o 256.9869 63.08873 1.919969       1.009825  1.582715       1.404424  2.280973       1.453033  239.7580 88.12120 274.2157 90.30729 -34.45766      126.1775 
1 1 1 1   8  23 o 238.9527 67.97041 1.501581       1.285161  0.1196342      2.426954  2.040095       1.515007  220.6369 100.1344 257.2685 91.94022 -36.63161      135.9408 
1 1 1 1   9  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   9  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   9  2  o ?        ?        134.7283       10.45333  0.000000       0.000000  134.7283       10.45333  ?        ?        ?        ?        ?              ?        
1 1 1 1   9  3  o ?        ?        92.93066       5.535264  90.13248       7.818860  95.74203       7.837263  ?        ?        ?        ?        ?              ?        
1 1 1 1   9  4  o 1403.785 32.00672 49.55221       2.236174  47.33632       2.879904  52.91670       3.548649  1365.120 41.66999 1442.451 48.59354 -77.33032      64.01344 
1 1 1 1   9  5  o 4359.907 66.61344 485.6826       14.38339  490.6519       18.56512  478.2210       22.74903  4391.001 83.51234 4328.813 103.8031 62.18750       133.2269 
1 1 1 1   9  6  o 2137.332 52.20794 116.2389       5.315286  115.3777       9.223052  116.6672       6.503985  2130.182 85.52129 2144.481 59.90645 -14.29907      104.4159 
1 1 1 1   9  7  o 634.3170 44.21067 10.25016       1.410890  10.25016       1.410890  0.000000       0.000000  634.3170 44.21067 ?        ?        ?              ?        
1 1 1 1   9  8  o 752.4392 44.51418 14.44777       1.675226  13.07102       2.294046  16.02076       2.452098  713.7486 64.17120 791.1299 61.70985 -77.38129      89.02836 
1 1 1 1   9  9  o 1739.016 38.86953 76.95670       3.421923  77.88726       4.837543  76.02475       4.841118  1749.596 54.61391 1728.435 55.32342 21.16150       77.73905 
1 1 1 1   9  10 o 664.2672 31.62904 11.24379       1.056696  10.66162       1.475507  11.85676       1.514025  646.4788 45.36939 682.0557 44.08179 -35.57690      63.25809 
1 1 1 1   9  11 o 890.9636 40.77451 19.96927       1.716575  21.14473       3.036719  19.41730       2.080939  908.7415 66.46669 873.1857 47.24849 35.55585       81.54901 
1 1 1 1   9  12 o 1325.838 44.12346 44.91808       2.778162  44.97847       3.397464  44.79620       4.826370  1329.809 50.46404 1321.868 72.39406 7.941040       88.24692 
1 1 1 1   9  13 o 1159.958 43.10720 34.32129       2.392509  34.83407       4.106554  34.05780       2.943708  1163.737 70.02705 1156.179 50.29053 7.558472       86.21441 
1 1 1 1   9  14 o 783.5927 35.03020 15.72793       1.382046  15.25178       1.953695  16.20487       1.955322  771.5349 50.29198 795.6504 48.77680 -24.11554      70.06039 
1 1 1 1   9  15 o 1664.660 39.58105 71.12772       3.330484  75.59408       4.705747  66.64511       4.714296  1717.772 54.11024 1611.548 57.78166 106.2239       79.16210 
1 1 1 1   9  16 o 1145.449 44.10380 33.75616       2.436272  34.98141       4.128318  33.10143       3.017791  1156.573 70.84587 1134.325 52.54942 22.24854       88.20760 
1 1 1 1   9  17 o 932.5732 47.92809 24.03554       2.060236  26.39291       2.549406  19.59807       3.497783  1011.126 49.80235 854.0201 81.90320 157.1063       95.85619 
1 1 1 1   9  18 o 254.0604 66.63491 1.225111       1.044416  2.405941       2.006957  0.7865605      1.223078  301.3509 106.0189 206.7699 80.75168 94.58107       133.2698 
1 1 1 1   9  19 o 192.2530 56.36881 0.3907911      0.9084811 0.7112338      1.204030  -0.3280605E-01 1.384327  201.0161 79.62236 183.4899 79.81260 17.52623       112.7376 
1 1 1 1   9  20 o 256.9417 61.09395 1.775695       0.9893189 0.9265934      1.428311  2.558739       1.371626  217.6786 86.56361 296.2048 86.23586 -78.52612      122.1879 
1 1 1 1   9  21 o 278.8215 68.11729 2.323699       1.195727  1.692273       1.744839  2.882806       1.641881  252.7263 97.06236 304.9167 95.59686 -52.19043      136.2346 
1 1 1 1   9  22 o 424.1211 72.48544 5.872045       1.437548  5.905630       1.694615  5.785846       2.714864  448.1193 77.49992 400.1230 122.5166 47.99628       144.9709 
1 1 1 1   9  23 o 219.7526 66.56561 0.8310569      1.376433  -0.7132735     2.370953  1.616127       1.690468  200.7208 93.85481 238.7845 94.42030 -38.06375      133.1312 
1 1 1 1   10 0  o ?        ?        49.11632       3.481934  49.11632       3.481934  0.000000       0.000000  ?        ?        ?        ?        ?              ?        
1 1 1 1   10 1  o ?        ?        51.39045       5.121029  51.39045       5.121029  0.000000       0.000000  ?        ?        ?        ?        ?              ?        
1 1 1 1   10 2  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 1   10 3  o 1835.565 79.59516 85.92873       7.396738  0.000000       0.000000  85.92873       7.396738  ?        ?        1835.565 79.59516 ?              ?        
1 1 1 1   10 4  o 3798.512 80.36774 367.8785       14.59110  371.1817       25.23473  366.2195       17.88378  3805.457 130.9810 3791.567 93.16586 13.88940       160.7355 
1 1 1 1   10 5  o 3256.082 65.97414 274.2657       9.320276  278.5907       10.75514  261.2231       18.67702  3313.169 64.11929 3198.995 115.3216 114.1746       131.9483 
1 1 1 1   10 6  o 1731.697 38.51033 76.07552       3.376102  75.31038       4.775322  76.84015       4.773736  1722.972 54.74454 1740.422 54.17765 -17.45020      77.02066 
1 1 1 1   10 7  o 1090.436 46.92797 30.17851       2.590691  30.17851       2.590691  0.000000       0.000000  1090.436 46.92797 ?        ?        ?              ?        
1 1 1 1   10 8  o 1668.731 46.59173 70.78261       3.726457  71.76547       6.417530  70.28262       4.577169  1675.453 75.65752 1662.010 54.39759 13.44250       93.18346 
1 1 1 1   10 9  o 1006.038 33.10196 25.70961       1.685947  25.92385       2.388077  25.49673       2.380521  1010.225 46.69242 1001.851 46.93376 8.374573       66.20393 
1 1 1 1   10 10 o 1480.701 36.41356 55.70706       2.728724  53.76680       3.843580  57.67876       3.874604  1454.631 52.19147 1506.771 50.79212 -52.14063      72.82712 
1 1 1 1   10 11 o 1345.195 41.20002 44.47075       2.667324  51.10997       4.677453  41.27136       3.247013  1416.107 65.24237 1274.282 50.33090 141.8248       82.40004 
1 1 1 1   10 12 o 462.9232 53.84681 5.532011       1.238402  5.532011       1.238402  0.000000       0.000000  462.9232 53.84681 ?        ?        ?              ?        
1 1 1 1   10 13 o 298.1725 54.83551 2.393250       0.8355544 2.131026       1.260900  2.598554       1.115685  284.3878 82.64925 311.9573 72.08909 -27.56949      109.6710 
1 1 1 1   10 14 o 954.1162 34.49266 23.26012       1.659014  25.37538       2.378864  21.25718       2.314845  997.3010 47.11506 910.9315 50.38992 86.36951       68.98531 
1 1 1 1   10 15 o 1128.662 35.54654 32.64017       2.030840  33.20604       2.866388  32.06982       2.877727  1138.631 49.72425 1118.693 50.81068 19.93823       71.09308 
1 1 1 1   10 16 o 620.8679 47.42260 10.26465       1.413008  9.714916       2.280063  10.60742       1.800421  603.5262 76.32845 638.2096 56.29900 -34.68341      94.84519 
1 1 1 1   10 17 o 347.1865 81.04935 3.346170       1.398703  3.346170       1.398703  0.000000       0.000000  347.1865 81.04935 ?        ?        ?              ?        
1 1 1 1   10 18 o 571.2056 51.25301 8.925246       1.359553  8.575972       2.315110  9.109106       1.679696  555.5220 85.02154 586.8891 57.26102 -31.36713      102.5060 
1 1 1 1   10 19 o 535.3320 48.23281 7.806511       1.277425  7.771719       1.794041  7.842291       1.819329  534.3035 67.85233 536.3605 68.56876 -2.057007      96.46561 
1 1 1 1   10 20 o 512.1454 51.45555 7.419448       1.281459  7.900303       1.736934  6.845090       1.898312  535.4219 65.43911 488.8690 79.42556 46.55289       102.9111 
1 1 1 1   10 21 o 220.2863 62.30975 1.049003       1.071921  0.4867889      1.640363  1.467996       1.416093  205.8190 88.17551 234.7536 88.06305 -28.93460      124.6195 
1 1 1 1   10 22 o 585.3654 66.08946 9.719389       1.924294  9.719389       1.924294  0.000000       0.000000  585.3654 66.08946 ?        ?        ?              ?        
1 1 1 1   11 0  o 2328.219 90.18945 138.3846       10.63073  138.3846       10.63073  0.000000       0.000000  2328.219 90.18945 ?        ?        ?              ?        
1 1 1 1   11 1  f 1753.704 77.71587 78.30103       6.900010  0.000000       0.000000  78.30103       6.900010  ?        ?        1753.704 77.71587 ?              ?        
1 1 1 1   11 2  o 1886.820 80.56544 90.58598       7.695964  0.000000       0.000000  90.58598       7.695964  ?        ?        1886.820 80.56544 ?              ?        
1 1 1 1   11 3  f 2406.396 65.48355 147.4571       7.975942  151.1677       11.28298  143.7508       11.27639  2436.832 91.45650 2375.961 93.74481 60.87085       130.9671 
1 1 1 1   11 4  o 1839.610 48.71796 88.19300       4.227295  92.62715       5.192467  79.47752       7.279711  1911.105 53.66676 1768.114 81.32427 142.9913       97.43592 
1 1 1 1   11 5  o 1359.365 41.96844 45.82676       2.761582  43.42847       3.395864  50.50986       4.745334  1308.514 51.26114 1410.215 66.46574 -101.7010      83.93687 
1 1 1 1   11 6  o 1654.881 44.46836 65.87025       3.586834  83.94450       6.179225  56.68560       4.404892  1816.270 67.20011 1493.492 58.25707 322.7776       88.93673 
1 1 1 1   11 7  o 606.0569 42.33613 9.804225       1.163042  10.40280       1.410474  8.532697       2.055741  638.5122 43.89946 573.6017 72.40324 64.91052       84.67226 
1 1 1 1   11 8  o 1920.996 40.44790 93.95965       3.933157  91.78169       5.543486  96.16747       5.581355  1898.487 57.67554 1943.506 56.72443 -45.01892      80.89579 
1 1 1 1   11 9  o 1039.855 33.05296 27.46110       1.739854  27.98373       2.462299  26.93997       2.458757  1049.766 46.33027 1029.944 47.15398 19.82166       66.10591 
1 1 1 1   11 10 o 806.9252 33.24621 16.59333       1.352271  16.63593       1.906556  16.55020       1.918298  807.9949 46.80817 805.8555 47.22539 2.139404       66.49242 
1 1 1 1   11 11 f 918.5891 40.25474 21.11820       1.772166  23.04989       3.070195  20.15303       2.170198  948.2604 64.33268 888.9179 48.40539 59.34247       80.50948 
1 1 1 1   11 12 o 1521.100 51.86600 58.98603       3.994149  58.98603       3.994149  0.000000       0.000000  1521.100 51.86600 ?        ?        ?              ?        
1 1 1 1   11 13 o 695.5674 50.28125 12.58911       1.734804  12.74844       2.339689  12.39454       2.585446  701.5823 66.67260 689.5524 75.28335 12.02997       100.5625 
1 1 1 1   11 14 o 971.5178 35.01659 24.15086       1.717058  22.64464       2.399463  25.73170       2.458174  939.5913 50.62874 1003.444 48.38778 -63.85303      70.03319 
1 1 1 1   11 15 o 216.0802 54.29309 1.058120       0.7541232 0.7776054      1.078246  1.326727       1.055113  201.5300 76.56226 230.6304 77.00117 -29.10039      108.5862 
1 1 1 1   11 16 o 319.8408 61.03253 3.033426       1.083435  1.281150       1.806666  4.017479       1.353898  254.5970 98.49928 385.0846 72.09557 -130.4876      122.0651 
1 1 1 1   11 17 f 458.8442 63.64604 5.634313       1.438681  5.634313       1.438681  0.000000       0.000000  458.8442 63.64604 ?        ?        ?              ?        
1 1 1 1   11 18 o 304.1544 65.66051 2.763138       1.129014  1.534437       2.051693  3.296805       1.352149  266.4367 104.4402 341.8720 79.60809 -75.43524      131.3210 
1 1 1 1   11 19 f 392.5082 53.09637 4.344493       1.011387  4.401608       1.362137  4.274316       1.509882  397.8302 70.19596 387.1862 79.68330 10.64392       106.1927 
1 1 1 1   11 20 o 491.3399 49.14486 6.807742       1.178781  7.718046       1.678255  5.921354       1.656062  527.8237 64.12054 454.8560 74.49447 72.96768       98.28973 
1 1 1 1   11 21 o 207.9964 63.53514 0.4808470      1.152758  0.7361911      2.037380  0.3606108      1.398063  226.2920 97.62482 189.7009 81.34032 36.59108       127.0703 
1 1 1 1   11 22 o 273.8929 91.80582 2.396717       1.499898  2.396717       1.499898  0.000000       0.000000  273.8929 91.80582 ?        ?        ?              ?        
1 1 1 1   12 0  o 1318.538 34.65915 44.08094       2.313631  44.09337       3.271048  44.06849       3.272890  1318.725 48.99469 1318.351 49.03618 0.3739014      69.31830 
1 1 1 1   12 1  o 1734.652 54.55587 76.48730       4.790413  77.38921       6.744307  75.56895       6.805442  1745.047 76.33900 1724.257 77.95979 20.79016       109.1117 
1 1 1 1   12 2  o 1048.550 46.73935 28.05609       2.461839  25.63016       3.466583  30.52442       3.496746  1002.294 68.73124 1094.806 63.35836 -92.51160      93.47869 
1 1 1 1   12 3  o 1164.424 48.13823 34.64151       2.810221  30.47437       3.955425  38.88894       3.993352  1092.843 71.89238 1236.004 64.03625 -143.1613      96.27645 
1 1 1 1   12 4  o 1404.804 34.24172 50.06135       2.435295  50.18290       3.439802  49.93921       3.448267  1406.521 48.30628 1403.088 48.54365 3.433716       68.48344 
1 1 1 1   12 5  o 1347.486 34.98541 46.10377       2.386639  45.72173       3.370649  46.48788       3.379806  1341.876 49.61551 1353.095 49.33779 -11.21936      69.97083 
1 1 1 1   12 6  o 2189.989 62.88122 122.2449       6.971824  122.2449       6.971824  0.000000       0.000000  2189.989 62.88122 ?        ?        ?              ?        
1 1 1 1   12 7  o 295.6757 71.69776 2.323443       1.062181  2.323443       1.062181  0.000000       0.000000  295.6757 71.69776 ?        ?        ?              ?        
1 1 1 1   12 8  o 1280.782 50.38947 41.69149       3.267372  0.000000       0.000000  41.69149       3.267372  ?        ?        1280.782 50.38947 ?              ?        
1 1 1 1   12 9  o 660.2349 41.51361 11.63713       1.281791  9.742413       2.128714  12.71487       1.605475  614.2615 69.68413 706.2083 45.14026 -91.94678      83.02723 
1 1 1 1   12 10 o 1102.418 34.12224 30.90768       1.903313  32.01802       2.685268  29.78665       2.698159  1122.418 47.25516 1082.417 49.23676 40.00171       68.24448 
1 1 1 1   12 11 o 1079.667 42.17014 29.45636       2.161552  30.89039       3.796507  28.76853       2.629327  1096.340 68.74767 1062.995 48.85735 33.34570       84.34029 
1 1 1 1   12 12 o 703.6864 44.51662 12.93433       1.432305  13.16858       1.720484  12.40542       2.585279  717.1988 47.65476 690.1740 75.20600 27.02484       89.03325 
1 1 1 1   12 13 o 1282.454 36.15339 42.02710       2.347008  41.10473       3.292609  42.97985       3.346386  1268.115 51.28591 1296.793 50.97083 -28.67859      72.30678 
1 1 1 1   12 14 o 316.3347 49.92440 2.631351       0.7766362 2.155840       1.024515  3.273752       1.190807  282.9601 71.49078 349.7092 69.70547 -66.74902      99.84880 
1 1 1 1   12 15 o 387.4647 46.18996 3.935360       0.8663950 3.277645       1.147386  4.807859       1.321518  349.0661 67.36625 425.8634 63.21265 -76.79727      92.37992 
1 1 1 1   12 16 o 824.9473 44.24186 17.87029       1.739740  18.07247       2.966880  17.76434       2.147744  823.4457 71.88825 826.4489 51.58921 -3.003113      88.48371 
1 1 1 1   12 17 o 395.3024 61.71732 4.316614       1.164397  4.009988       1.451139  4.870930       1.951121  379.4050 78.14944 411.1998 95.54463 -31.79477      123.4346 
1 1 1 1   12 18 o 473.5692 49.68871 6.158676       1.143459  7.239130       1.645538  5.149827       1.590077  517.3751 64.20284 429.7633 75.85423 87.61179       99.37741 
1 1 1 1   12 19 o 229.1558 61.35362 1.085103       1.012313  0.3261342      1.365322  2.011765       1.508634  191.3375 81.16120 266.9740 92.03220 -75.63655      122.7072 
1 1 1 1   12 20 o 182.4481 55.42775 0.2299562      0.9313712 0.5662066      1.277029  -0.1521507     1.361324  192.2174 79.79932 172.6788 76.94808 19.53862       110.8555 
1 1 1 1   12 21 o 268.1202 68.41939 2.158284       1.180977  2.728688       1.824705  1.747115       1.549214  289.8771 101.1414 246.3632 92.16981 43.51389       136.8388 
1 1 1 1   12 22 o 252.2865 68.51695 1.632379       1.188858  0.8365187      1.449637  3.267188       2.077660  203.3630 84.77325 301.2099 107.6652 -97.84691      137.0339 
1 1 1 1   13 0  o 1953.872 49.96977 96.63707       4.674517  98.26112       8.076418  95.81896       5.732231  1964.884 81.18919 1942.860 58.27716 22.02344       99.93954 
1 1 1 1   13 1  o 1639.726 45.47618 67.20175       3.576029  71.70657       6.227080  64.98511       4.368119  1679.202 73.24837 1600.250 53.91667 78.95166       90.95236 
1 1 1 1   13 2  o 443.6838 49.45978 5.722109       0.9327344 3.828826       1.670457  6.579804       1.124330  379.9343 88.49189 507.4332 44.20705 -127.4989      98.91956 
1 1 1 1   13 3  o 790.3621 31.45027 15.89434       1.252802  16.56477       1.788520  15.24850       1.755402  806.8221 43.95141 773.9021 44.99724 32.91998       62.90054 
1 1 1 1   13 4  o 1649.966 37.07686 69.20605       3.096969  70.04543       4.379358  68.36635       4.380192  1660.017 52.10919 1639.915 52.75800 20.10217       74.15372 
1 1 1 1   13 5  o 1622.644 38.21165 67.02766       3.138532  68.42897       4.436630  65.62393       4.440482  1639.721 53.44408 1605.568 54.62831 34.15308       76.42331 
1 1 1 1   13 6  o 1381.817 51.34551 48.58732       3.592004  48.58732       3.592004  0.000000       0.000000  1381.817 51.34551 ?        ?        ?              ?        
1 1 1 1   13 7  o 1024.782 48.66457 26.97158       2.503406  27.98806       3.462497  25.85824       3.623705  1045.693 65.73818 1003.872 71.77364 41.82098       97.32915 
1 1 1 1   13 8  o 1028.121 31.28703 27.39506       1.559954  28.94025       1.982151  24.88069       2.528482  1068.110 36.65534 988.1314 50.71390 79.97845       62.57407 
1 1 1 1   13 9  o 1202.026 44.88201 38.32524       2.500768  40.90308       3.056396  33.10412       4.349748  1268.665 47.58599 1135.387 76.11275 133.2778       89.76402 
1 1 1 1   13 10 f 818.3571 43.57815 17.98709       1.643218  19.49651       2.019709  15.03169       2.826130  874.3435 45.78636 762.3707 74.16084 111.9728       87.15630 
1 1 1 1   13 11 o 1520.511 75.60657 59.51196       5.820131  0.000000       0.000000  59.51196       5.820131  ?        ?        1520.511 75.60657 ?              ?        
1 1 1 1   13 12 o 474.3199 56.15782 5.857719       1.289779  4.983659       1.700538  7.041488       1.979015  432.1949 80.68575 516.4450 78.13202 -84.25015      112.3156 
1 1 1 1   13 13 o 957.4915 34.94317 23.52176       1.687211  23.74106       2.354152  23.29014       2.419336  962.3300 48.47553 952.6529 50.34106 9.677063       69.88634 
1 1 1 1   13 14 o 948.7831 34.82289 23.16684       1.666354  22.93447       2.321475  23.41381       2.393328  944.0260 48.73945 953.5402 49.74937 -9.514160      69.64577 
1 1 1 1   13 15 o 387.3642 48.21825 4.144629       0.8941520 5.076610       1.231672  3.106138       1.300149  438.8162 56.77169 335.9122 77.95496 102.9040       96.43651 
1 1 1 1   13 16 o 593.5176 49.80283 8.512405       1.383744  13.65242       2.435708  6.062924       1.681435  714.8148 68.12968 472.2203 72.66109 242.5945       99.60565 
1 1 1 1   13 17 f 234.5652 66.71688 0.9881285      1.197268  1.111070       1.528095  0.7926706      1.926765  232.1596 90.37322 236.9708 98.16949 -4.811249      133.4338 
1 1 1 1   13 18 o 306.7584 62.27256 2.745853       1.018949  2.876230       1.428447  2.610787       1.453913  314.0544 86.90045 299.4624 89.21770 14.59201       124.5451 
1 1 1 1   13 19 o 401.0902 56.89931 4.865965       1.117974  2.983794       1.598448  6.668385       1.564217  311.9760 93.68403 490.2044 64.60207 -178.2284      113.7986 
1 1 1 1   13 20 o 165.5670 51.65408 -0.3673671     0.8832074 -1.254690      1.192940  0.7090043      1.313889  133.3068 63.58170 197.8271 81.42446 -64.52034      103.3082 
1 1 1 1   13 21 o 408.4961 70.85596 5.647538       1.456624  5.029913       2.222836  6.112360       1.928362  376.9148 109.7935 440.0774 89.59714 -63.16260      141.7119 
1 1 1 1   14 0  o 2084.035 52.41722 111.6210       5.200328  108.5111       8.980443  113.1899       6.378611  2059.076 86.14732 2108.994 59.74026 -49.91846      104.8344 
1 1 1 1   14 1  o 1317.955 49.98402 44.48100       3.319171  46.26292       4.658622  42.64389       4.730230  1345.260 68.63003 1290.649 72.68789 54.61133       99.96805 
1 1 1 1   14 2  o 197.6281 39.13672 0.9907282      0.4169900 1.367132       0.6152313 0.6708841      0.5671272 227.3020 54.22163 167.9543 56.45127 59.34770       78.27344 
1 1 1 1   14 3  o 1516.518 36.78918 58.51966       2.824509  58.81367       4.009764  58.23011       3.979329  1520.289 52.09657 1512.748 51.95885 7.540283       73.57836 
1 1 1 1   14 4  o 1923.515 41.14142 94.33729       4.004741  97.72569       5.674643  90.97523       5.652541  1958.148 57.24129 1888.882 59.10923 69.26599       82.28284 
1 1 1 1   14 5  o 1662.509 38.09449 70.39012       3.205312  72.40938       4.531686  68.36852       4.534306  1686.516 53.07446 1638.501 54.66135 48.01514       76.18899 
1 1 1 1   14 6  o 1770.634 46.96956 79.11755       3.969314  77.46732       4.838626  82.51323       6.940848  1744.850 54.77474 1796.419 76.31700 -51.56873      93.93912 
1 1 1 1   14 7  o 796.3929 39.27326 15.32409       1.477697  13.81524       1.769219  18.80485       2.687176  735.8478 47.74883 856.9380 62.36670 -121.0901      78.54652 
1 1 1 1   14 8  o 1376.837 41.73111 47.98177       2.473479  47.64917       2.831549  49.05300       5.081645  1369.968 40.82537 1383.707 72.79582 -13.73889      83.46223 
1 1 1 1   14 9  o 2249.309 40.63921 127.9320       4.541139  123.6283       5.837691  134.5272       7.226644  2203.214 52.33604 2295.405 62.18616 -92.19092      81.27841 
1 1 1 1   14 10 o 1055.627 34.49937 28.52865       1.833674  30.81861       2.568081  26.14682       2.619084  1100.030 46.11269 1011.224 51.32686 88.80627       68.99874 
1 1 1 1   14 11 o 1135.838 70.36613 33.34415       4.026429  33.34415       4.026429  0.000000       0.000000  1135.838 70.36613 ?        ?        ?              ?        
1 1 1 1   14 12 o 1246.931 70.85777 40.29942       4.454685  40.29942       4.454685  0.000000       0.000000  1246.931 70.85777 ?        ?        ?              ?        
1 1 1 1   14 13 o 1362.766 44.38891 47.06232       2.891792  45.07854       3.524968  51.14540       5.057106  1324.755 52.55767 1400.776 71.54853 -76.02197      88.77782 
1 1 1 1   14 14 o 514.7386 47.72050 7.072048       1.192990  6.794205       1.833689  7.275965       1.570915  503.3587 74.17936 526.1185 60.05337 -22.75983      95.44100 
1 1 1 1   14 15 o 275.1027 57.23257 2.042333       0.9054557 1.066758       1.300192  2.960987       1.261691  223.5089 84.27493 326.6965 77.45971 -103.1876      114.4651 
1 1 1 1   14 16 o 247.6018 56.41249 1.741591       0.9038598 2.465238       1.041094  -0.4733300     1.821402  298.0174 70.16478 197.1862 88.35373 100.8312       112.8250 
1 1 1 1   14 17 o 328.2960 70.38360 2.894278       1.257446  1.996485       1.567280  4.516273       2.106605  270.4086 93.77039 386.1833 104.9882 -115.7746      140.7672 
1 1 1 1   14 18 o 195.3910 55.92130 0.6468418      0.8290182 0.6426194      1.027076  0.6547356      1.404334  185.8434 73.56226 204.9387 84.24585 -19.09528      111.8426 
1 1 1 1   14 19 o 162.9247 51.79869 -0.2622434     0.8875961 -0.2133946E-01 1.140285  -0.6326227     1.413887  163.1263 71.65742 162.7231 74.81733 0.4031219      103.5974 
1 1 1 1   14 20 o 189.6018 56.49675 0.5247871      0.9315131 0.7788557      1.245614  0.2024011      1.403124  196.3096 79.86208 182.8940 79.93485 13.41560       112.9935 
1 1 1 1   14 21 o 293.0236 66.33022 2.306242       1.174367  0.8711187      1.448692  5.056816       2.005594  204.4555 84.94628 381.5918 101.8966 -177.1363      132.6604 
1 1 1 1   15 0  f 1988.527 50.98593 100.8892       4.835496  100.2170       5.911394  102.2487       8.406283  1982.252 58.90435 1994.801 83.23784 -12.54919      101.9719 
1 1 1 1   15 1  o 1013.725 32.12745 26.12842       1.648686  26.64630       2.343138  25.62061       2.320220  1023.695 45.21094 1003.755 45.65809 19.94025       64.25489 
1 1 1 1   15 2  o 1175.806 41.34714 35.32682       2.318724  35.28307       3.992990  35.34909       2.848141  1172.849 67.53229 1178.763 47.72560 -5.913574      82.69427 
1 1 1 1   15 3  f 2323.746 46.17015 138.0051       5.426846  131.3752       7.675814  144.6312       7.673624  2267.404 66.86702 2380.088 63.68305 -112.6841      92.34029 
1 1 1 1   15 4  o 540.9485 35.00397 7.516686       0.9461076 7.169086       1.356573  7.845880       1.320166  528.3845 51.36090 553.5125 47.57278 -25.12799      70.00793 
1 1 1 1   15 5  o 978.0455 39.86339 24.66647       1.859991  25.25045       2.302190  23.56876       3.156334  996.9363 45.61314 959.1546 65.38960 37.78174       79.72678 
1 1 1 1   15 6  o 1357.052 50.49939 47.15914       3.454914  47.26965       4.802428  47.04058       4.974064  1358.999 70.03862 1355.104 72.76913 3.894043       100.9988 
1 1 1 1   15 7  o 1967.319 42.01213 98.64480       4.183086  96.04607       5.925938  101.2258       5.905668  1941.294 60.29512 1993.344 58.51986 -52.04980      84.02425 
1 1 1 1   15 8  o 370.2076 53.89220 3.773812       0.7591512 3.869873       0.8340691 3.309999       1.832735  387.7940 43.21836 352.6211 98.74031 35.17291       107.7844 
1 1 1 1   15 9  o 1775.728 40.58107 80.67769       3.643349  84.71245       5.123346  76.54986       5.182106  1821.222 55.56574 1730.233 59.15861 90.98901       81.16213 
1 1 1 1   15 10 o 1438.131 33.39100 52.01014       2.379928  49.28220       3.034090  56.37286       3.836983  1390.756 43.09172 1485.505 51.01900 -94.74915      66.78199 
1 1 1 1   15 11 o 466.5584 48.60319 5.659037       0.9324486 5.604423       1.060927  5.844446       1.954796  466.3935 45.51126 466.7232 85.89416 -0.3297119     97.20638 
1 1 1 1   15 12 o 1027.950 49.89867 27.50806       2.576798  27.01770       3.531059  28.06669       3.768838  1018.820 68.86226 1037.081 72.23225 -18.26093      99.79733 
1 1 1 1   15 13 o 260.1929 53.49415 1.772999       0.7529148 1.362983       1.010740  2.284155       1.128537  230.8337 75.28520 289.5521 76.01733 -58.71838      106.9883 
1 1 1 1   15 14 o 389.0150 50.38481 3.933748       0.9383990 2.320875       1.214890  6.319315       1.477518  289.8784 80.11364 488.1516 61.12545 -198.2732      100.7696 
1 1 1 1   15 15 o 240.0372 55.99934 1.558417       0.9170070 2.377259       1.049698  -1.080126      1.884284  292.6831 71.46170 187.3913 86.23763 105.2919       111.9987 
1 1 1 1   15 16 o 636.2349 51.73108 10.89228       1.467637  10.63300       1.730523  11.55652       2.769891  633.4591 54.49076 639.0106 87.94985 -5.551514      103.4622 
1 1 1 1   15 17 o 528.4573 53.18407 7.784226       1.364833  8.059259       2.114013  7.587653       1.787214  532.6560 80.94038 524.2586 69.01329 8.397400       106.3681 
1 1 1 1   15 18 o 280.4709 59.09744 2.344471       0.8957635 2.379406       1.168893  2.294761       1.394312  283.9260 78.62639 277.0157 88.24919 6.910217       118.1949 
1 1 1 1   15 19 o 198.1186 57.55986 0.5835539      0.8892738 0.1686638      1.092639  1.397588       1.530494  165.4344 71.43124 230.8028 90.27805 -65.36839      115.1197 
1 1 1 1   15 20 o 168.8662 54.14074 -0.2665465     0.9774499 -0.4320115     1.258018  -0.1449602E-01 1.552665  155.3858 71.12160 182.3467 81.64922 -26.96092      108.2815 
1 1 1 1   15 21 o 268.5698 71.94401 1.870684       1.212512  0.9821589      1.397565  4.575209       2.438275  203.6329 83.91479 333.5066 116.8849 -129.8737      143.8880 
1 1 1 1   16 0  f 2437.821 58.23428 152.8734       6.756660  153.6352       8.268621  151.3427       11.72151  2452.667 66.59027 2422.974 95.55448 29.69360       116.4686 
1 1 1 1   16 1  o 1635.360 37.90314 68.08555       3.138127  68.32607       4.438784  67.84519       4.437181  1638.263 53.51762 1632.458 53.68853 5.804688       75.80629 
1 1 1 1   16 2  o 509.1763 43.86590 7.053433       1.017103  7.798344       1.266099  5.697944       1.707905  552.0668 45.71061 466.2858 74.88263 85.78107       87.73180 
1 1 1 1   16 3  o 871.8696 32.59056 19.35579       1.432876  20.01652       2.059265  18.73562       1.995046  886.3281 46.05034 857.4113 46.12965 28.91681       65.18112 
1 1 1 1   16 4  o 2339.610 45.95261 139.6553       5.439997  145.3675       7.710422  133.9935       7.676327  2387.583 63.78756 2291.637 66.16432 95.94580       91.90522 
1 1 1 1   16 5  o 2378.046 66.69415 144.3355       8.029557  144.3355       8.029557  0.000000       0.000000  2378.046 66.69415 ?        ?        ?              ?        
1 1 1 1   16 6  o 785.9100 48.29682 15.76807       1.912346  0.000000       0.000000  15.76807       1.912346  ?        ?        785.9100 48.29682 ?              ?        
1 1 1 1   16 7  o 1043.280 42.43563 28.15900       2.089968  26.98333       3.621438  28.74609       2.559145  1023.887 70.28835 1062.673 47.56763 -38.78625      84.87127 
1 1 1 1   16 8  o 1071.587 43.14918 29.23707       2.161880  28.87164       2.602085  30.05145       3.884553  1064.208 48.29601 1078.967 71.51854 -14.75830      86.29836 
1 1 1 1   16 9  o 1193.714 45.06794 37.11305       2.491423  37.82699       3.000895  35.52932       4.469513  1217.191 48.69770 1170.237 75.84861 46.95325       90.13589 
1 1 1 1   16 10 o 1640.739 39.21882 69.02108       3.256810  69.02926       4.551969  69.01250       4.661638  1641.091 54.78769 1640.387 56.13175 0.7038574      78.43764 
1 1 1 1   16 11 o 1197.170 32.19228 35.85496       1.905163  33.20163       2.409035  40.28527       3.112899  1140.313 41.72876 1254.026 49.03144 -113.7133      64.38456 
1 1 1 1   16 12 o 531.2378 40.66479 7.353814       1.068051  7.210016       1.420701  7.540714       1.619690  526.1618 54.10431 536.3138 60.72252 -10.15204      81.32958 
1 1 1 1   16 13 f 193.6548 53.43237 0.6200029      0.7426628 0.4393418      0.9502802 0.9034957      1.190393  175.6726 70.35833 211.6370 80.43492 -35.96432      106.8647 
1 1 1 1   16 14 o 602.9291 39.85853 9.509833       1.190705  9.039783       1.562719  10.16044       1.838524  586.5005 53.20860 619.3578 59.36038 -32.85730      79.71706 
1 1 1 1   16 15 o 859.5291 37.86155 19.47380       1.636100  19.53286       2.247775  19.40725       2.385997  862.0370 51.74374 857.0212 55.28629 5.015747       75.72310 
1 1 1 1   16 16 o 1010.747 37.70639 27.06083       1.920005  26.91951       2.645190  27.21819       2.791292  1009.093 51.95395 1012.402 54.66146 -3.309082      75.41278 
1 1 1 1   16 17 f 462.8414 50.99953 6.061376       1.134630  6.112151       1.479235  5.988806       1.768434  470.3213 63.76825 455.3616 79.60790 14.95963       101.9991 
1 1 1 1   16 18 o 399.9714 68.35155 4.559929       1.181177  4.065653       1.331841  6.381285       2.556612  372.3135 73.26694 427.6294 115.4110 -55.31583      136.7031 
1 1 1 1   16 19 o 208.9610 59.54367 0.9267842      1.008489  0.1715879      1.461899  1.612502       1.393029  183.3111 80.80945 234.6109 87.47357 -51.29982      119.0873 
1 1 1 1   16 20 o 201.6819 60.80048 0.7033467      1.105163  1.104173       1.536141  0.2732802      1.591185  213.8477 88.03311 189.5163 83.88663 24.33141       121.6010 
1 1 1 1   17 0  o 2010.093 42.02842 102.9963       4.275369  106.3255       6.047682  99.67015       6.044888  2042.789 58.47657 1977.396 60.38248 65.39246       84.05684 
1 1 1 1   17 1  o 2347.616 58.05332 144.1254       6.425047  149.5216       7.864271  133.2936       11.14205  2420.848 64.16634 2274.384 96.76482 146.4644       116.1066 
1 1 1 1   17 2  o 771.0027 33.14332 15.14164       1.286119  15.67658       1.873669  14.66504       1.768571  783.8320 47.43913 758.1734 46.29739 25.65857       66.28664 
1 1 1 1   17 3  o 899.7299 42.06184 21.01094       1.769992  19.92369       3.098370  21.53765       2.156513  880.1831 70.11217 919.2767 46.48740 -39.09357      84.12369 
1 1 1 1   17 4  o 1090.200 41.01304 30.11729       2.159964  29.55644       2.678965  31.15917       3.651361  1077.832 49.09443 1102.568 65.71160 -24.73547      82.02608 
1 1 1 1   17 5  o 1095.504 43.64109 31.28096       2.239488  32.32264       2.733117  29.15259       3.906741  1126.941 47.90419 1064.067 72.96141 62.87427       87.28218 
1 1 1 1   17 6  o 546.8165 35.06671 7.715149       0.9544234 8.533499       1.341359  6.875976       1.358317  577.0646 46.30309 516.5684 52.67561 60.49628       70.13342 
1 1 1 1   17 7  o 1078.390 44.10463 30.35424       2.231978  28.54804       3.886885  31.24284       2.726274  1050.154 73.57269 1106.627 48.66142 -56.47241      88.20926 
1 1 1 1   17 8  o 928.4774 32.41297 22.28100       1.480210  23.24206       1.914713  20.85351       2.333544  955.3186 39.58875 901.6361 51.33355 53.68250       64.82594 
1 1 1 1   17 9  o 1339.177 44.73309 47.44164       2.520134  48.47291       2.881512  44.08631       5.197575  1378.668 41.28355 1299.685 79.37168 78.98279       89.46617 
1 1 1 1   17 10 o 855.4770 39.38999 18.67239       1.705995  18.67239       1.705995  0.000000       0.000000  855.4770 39.38999 ?        ?        ?              ?        
1 1 1 1   17 11 o 998.6349 45.74485 25.93486       2.077273  25.86898       2.460961  26.09811       3.874055  1003.443 48.44269 993.8264 77.61230 9.617004       91.48969 
1 1 1 1   17 12 o 370.2755 52.25955 4.525709       0.8784313 5.696202       1.055304  1.884965       1.585099  468.3677 45.06093 272.1832 94.30671 196.1845       104.5191 
1 1 1 1   17 13 o 716.6652 34.22574 13.00530       1.199060  11.90873       1.500472  14.94290       1.994545  677.6329 43.97474 755.6976 52.45786 -78.06470      68.45148 
1 1 1 1   17 14 o 820.8313 37.55621 17.63336       1.547503  16.20124       2.095312  19.35197       2.295340  784.2712 53.08402 857.3914 53.14097 -73.12018      75.11243 
1 1 1 1   17 15 o 252.4556 58.24172 1.570488       0.8828287 0.8171690      1.141862  2.689971       1.391980  200.9183 78.14664 303.9928 86.37993 -103.0745      116.4834 
1 1 1 1   17 16 f 234.8632 63.61803 1.274919       1.098585  0.4739625      1.664259  1.893440       1.462492  210.1246 89.38542 259.6018 90.54977 -49.47720      127.2361 
1 1 1 1   17 17 o 236.7636 67.25755 1.325707       1.219703  1.134233       1.955522  1.447627       1.560429  236.6101 98.53175 236.9170 91.57404 -0.3068848     134.5151 
1 1 1 1   17 18 o 212.5847 57.84744 1.171254       0.9183729 1.656145       1.116071  0.1544559      1.616170  234.9821 79.19060 190.1873 84.34545 44.79478       115.6949 
1 1 1 1   17 19 o 184.2855 58.45497 -0.7809596E-01 1.143807  -0.7461550     1.567545  0.6826437      1.672749  163.9511 76.54610 204.6198 88.36644 -40.66872      116.9099 
1 1 1 1   17 20 o 193.8204 79.49146 0.8862339      1.246708  0.8862339      1.246708  0.000000       0.000000  193.8204 79.49146 ?        ?        ?              ?        
1 1 1 1   18 0  o 396.6362 55.40885 4.572134       0.9810279 3.156370       1.775100  5.194714       1.177130  344.7344 97.40256 448.5380 52.85173 -103.8036      110.8177 
1 1 1 1   18 1  o 1116.270 49.92660 32.04069       2.804543  33.61277       3.975219  30.48277       3.957289  1144.036 68.95604 1088.504 72.21999 55.53210       99.85320 
1 1 1 1   18 2  o 698.6052 40.75859 11.47490       1.350893  9.500812       1.619249  15.99469       2.450135  608.3007 53.11156 788.9098 61.84023 -180.6091      81.51718 
1 1 1 1   18 3  f 1647.694 49.06289 71.21371       3.796879  74.17230       4.648474  65.28326       6.581297  1705.343 53.84125 1590.046 82.03529 115.2969       98.12578 
1 1 1 1   18 4  o 1279.597 50.93156 41.76020       3.299466  41.76020       3.299466  0.000000       0.000000  1279.597 50.93156 ?        ?        ?              ?        
1 1 1 1   18 5  o 258.8877 57.88308 1.654222       0.9023609 2.449558       1.241146  0.7624331      1.314251  302.5160 79.86379 215.2594 83.80679 87.25662       115.7662 
1 1 1 1   18 6  o 1103.640 43.71088 31.64841       2.271065  30.44282       3.958621  32.23988       2.772754  1083.720 72.57046 1123.559 48.74519 -39.83960      87.42176 
1 1 1 1   18 7  o 967.4868 34.61148 23.97042       1.691767  24.23373       2.372138  23.69787       2.413437  973.6822 48.12150 961.2913 49.76083 12.39087       69.22296 
1 1 1 1   18 8  o 549.8296 35.67886 7.991923       0.9465749 8.682431       1.226804  6.976070       1.488011  581.7880 41.93224 517.8712 57.73743 63.91687       71.35771 
1 1 1 1   18 9  o 571.6725 49.68090 8.537885       1.232506  8.462375       1.435286  8.749921       2.405130  572.2320 50.04636 571.1131 85.83781 1.118896       99.36180 
1 1 1 1   18 10 f 1081.211 39.45242 29.89508       2.159572  29.89508       2.159572  0.000000       0.000000  1081.211 39.45242 ?        ?        ?              ?        
1 1 1 1   18 11 o 484.9407 58.17747 6.910746       1.197790  7.528708       1.416603  5.360940       2.243398  536.6859 52.82122 433.1955 103.6744 103.4904       116.3549 
1 1 1 1   18 12 o 369.5687 55.20409 3.566984       0.9704807 2.902497       1.200989  4.817298       1.647424  323.1833 74.87029 415.9541 81.14435 -92.77081      110.4082 
1 1 1 1   18 13 o 815.8273 34.62320 16.53289       1.368031  14.41695       1.677218  20.73870       2.364631  743.8464 44.74534 887.8082 52.84808 -143.9617      69.24641 
1 1 1 1   18 14 o 377.6678 52.83543 3.880416       0.9438605 3.473216       1.173749  4.625595       1.587820  353.1106 68.12536 402.2250 80.77911 -49.11438      105.6709 
1 1 1 1   18 15 o 988.8194 44.52766 24.29550       2.060586  20.77971       2.432849  33.21985       3.876071  881.1693 54.80611 1096.469 70.19360 -215.3002      89.05532 
1 1 1 1   18 16 o 178.0195 78.26418 0.9986074E-02  1.362713  0.000000       0.000000  0.9986074E-02  1.362713  ?        ?        178.0195 78.26418 ?              ?        
1 1 1 1   18 17 o 274.6672 76.71899 2.401887       1.571180  2.446337       2.085620  2.343557       2.389148  275.3577 106.0261 273.9766 110.9129 1.381073       153.4380 
1 1 1 1   18 18 o 604.2164 56.62965 10.48143       1.495219  9.579784       1.731872  13.12092       2.963188  579.6336 59.88018 628.7993 96.13550 -49.16571      113.2593 
1 1 1 1   18 19 o 303.2828 62.00090 2.873388       1.060033  1.592980       1.364764  4.820523       1.682989  227.2913 86.18713 379.2744 89.15280 -151.9831      124.0018 
1 1 1 1   18 20 o 182.8768 60.22852 0.1073673      1.103305  0.1306615      1.217094  -0.2509143E-04 2.613283  162.2410 72.49333 203.5126 96.20091 -41.27161      120.4570 
1 1 1 1   19 0  o 1205.325 50.14579 37.49539       3.045012  37.47453       4.372468  37.51503       4.243043  1204.635 72.02483 1206.015 69.79131 -1.380371      100.2916 
1 1 1 1   19 1  o 783.1119 42.59106 15.56565       1.567686  16.45849       2.784431  15.15128       1.896905  797.1119 69.69822 769.1118 48.97093 28.00012       85.18212 
1 1 1 1   19 2  o 1337.787 44.48841 45.76230       2.821725  45.34608       3.437316  46.62239       4.941216  1332.509 50.95251 1343.065 72.94324 -10.55579      88.97682 
1 1 1 1   19 3  o 486.2075 62.61809 6.494825       1.459781  8.539644       2.050018  4.391425       2.079175  571.0530 72.54544 401.3620 102.0846 169.6911       125.2362 
1 1 1 1   19 4  o 668.9854 50.07196 11.50356       1.683580  11.50356       1.683580  0.000000       0.000000  668.9854 50.07196 ?        ?        ?              ?        
1 1 1 1   19 5  o 325.4219 51.99432 3.054757       0.8063742 2.121143       1.408141  3.510305       0.9836246 284.6962 88.41281 366.1476 54.74313 -81.45132      103.9886 
1 1 1 1   19 6  o ?        ?        -1.211028      0.3052360 0.000000       0.000000  -1.211028      0.3052360 ?        ?        ?        ?        ?              ?        
1 1 1 1   19 7  o 1240.320 34.53170 39.46182       2.164344  42.32575       3.067326  36.62197       3.054404  1285.705 47.12322 1194.936 50.48916 90.76904       69.06340 
1 1 1 1   19 8  o 1229.445 35.63887 38.83763       2.218122  38.95872       3.121208  38.71407       3.152826  1231.503 50.06147 1227.387 50.73820 4.116211       71.27773 
1 1 1 1   19 9  o 596.5651 34.27074 9.249155       0.9926310 9.356046       1.260551  9.074689       1.610451  602.9055 41.55153 590.2247 54.51060 12.68079       68.54148 
1 1 1 1   19 10 o 1176.496 42.84178 35.56610       2.124400  35.01516       2.409938  37.48656       4.499386  1167.557 40.77030 1185.435 75.36216 -17.87744      85.68356 
1 1 1 1   19 11 o 1036.761 44.40778 27.90991       1.898123  27.50398       2.138198  29.41918       4.122924  1032.898 40.88904 1040.624 78.84344 -7.726074      88.81555 
1 1 1 1   19 12 o 741.1122 46.44243 13.78700       1.390772  13.11604       1.548348  16.58921       3.164250  709.8057 43.29390 772.4186 82.17807 -62.61292      92.88486 
1 1 1 1   19 13 o 201.9894 57.97633 0.2481346      0.7693133 -0.1201680     0.8571611 1.773709       1.744523  141.6327 62.17390 262.3461 97.87454 -120.7133      115.9527 
1 1 1 1   19 14 o 191.7201 59.00097 -0.3017240     1.117297  1.042707       1.673993  -1.381795      1.500412  229.5017 92.86426 153.9386 72.80582 75.56310       118.0019 
1 1 1 1   19 15 o 383.3181 72.09860 4.227664       1.347813  4.227664       1.347813  0.000000       0.000000  383.3181 72.09860 ?        ?        ?              ?        
1 1 1 1   19 16 o 466.8869 67.78308 6.955605       1.545370  6.278840       2.093791  7.765424       2.290383  440.6700 96.52158 493.1038 95.19332 -52.43378      135.5662 
1 1 1 1   19 17 f 238.8297 55.62266 1.278553       1.158964  -3.471063      2.046822  3.519958       1.406083  147.3939 73.02502 330.2654 83.92181 -182.8715      111.2453 
1 1 1 1   19 18 o 149.5486 51.23567 -0.9842069     0.9120486 -0.8633736     1.007841  -1.530736      2.143412  125.3351 59.39315 173.7620 83.50346 -48.42683      102.4713 
1 1 1 1   19 19 o 337.5262 65.23589 4.220423       1.163799  4.634348       1.495306  3.584435       1.853506  373.9933 81.29402 301.0592 102.0498 72.93414       130.4718 
1 1 1 1   20 0  o 875.8535 33.64701 19.66883       1.486310  19.41201       2.097740  19.92772       2.106205  870.0432 47.80750 881.6638 47.35956 -11.62054      67.29401 
1 1 1 1   20 1  o 680.2791 43.04137 11.54685       1.384173  13.36523       2.464022  10.70846       1.673112  715.9924 68.82349 644.5658 51.70652 71.42657       86.08273 
1 1 1 1   20 2  o 624.0254 43.57782 9.623968       1.279861  11.61039       2.304354  8.737846       1.539078  666.5611 69.29806 581.4896 52.85722 85.07147       87.15564 
1 1 1 1   20 3  o 1089.036 42.02906 30.47820       2.199785  30.22966       2.721125  30.94699       3.737193  1086.419 49.47291 1091.654 67.95732 -5.234619      84.05811 
1 1 1 1   20 4  o 598.2915 44.40377 9.275478       1.251329  9.522275       2.159570  9.150736       1.535338  601.4437 72.37627 595.1393 51.46315 6.304382       88.80755 
1 1 1 1   20 5  o 920.1789 41.92299 20.99714       1.815535  24.54810       3.302527  19.45920       2.173422  970.6880 67.62457 869.6698 49.56879 101.0182       83.84597 
1 1 1 1   20 6  o 473.6981 48.63432 5.667721       1.051398  6.710622       1.937597  5.232489       1.251706  500.2911 79.13146 447.1050 56.56323 53.18613       97.26864 
1 1 1 1   20 7  o 836.2712 34.04543 18.05717       1.431548  19.56371       2.029410  16.56507       2.019654  871.7669 46.14609 800.7755 50.06898 70.99146       68.09086 
1 1 1 1   20 8  o 677.4957 35.98536 11.94778       1.221814  12.62188       1.704168  11.23478       1.752663  698.0816 48.52097 656.9098 53.15543 41.17181       71.97072 
1 1 1 1   20 9  o 774.6990 42.69893 16.05418       1.468217  16.36892       1.729886  15.24343       2.776419  795.9370 43.08992 753.4611 73.72960 42.47589       85.39787 
1 1 1 1   20 10 o 319.8967 63.72927 3.045252       0.9990433 3.273887       1.132149  2.240817       2.123623  345.4509 67.15295 294.3426 108.3335 51.10825       127.4585 
1 1 1 1   20 11 o 479.2184 70.78736 6.882568       1.642976  7.353529       2.158644  6.234068       2.533046  507.6856 87.12248 450.7512 111.5934 56.93445       141.5747 
1 1 1 1   20 12 o 357.5268 78.10915 4.026547       1.546118  4.221889       1.958522  3.703463       2.518768  371.4229 101.3374 343.6308 118.8903 27.79205       156.2183 
1 1 1 1   20 13 o 342.5612 67.05347 3.434606       0.9703280 3.402670       1.049625  3.622330       2.544797  350.2877 61.42665 334.8346 119.2117 15.45313       134.1069 
1 1 1 1   20 14 o 230.6326 62.58936 0.8362610      0.9198034 0.2683124      1.053580  2.656415       1.886110  168.9110 71.45229 292.3543 102.7827 -123.4433      125.1787 
1 1 1 1   20 15 o 201.0398 59.22793 0.7393531      0.9324588 0.7888658      1.098594  0.6117700      1.763500  191.2164 75.95634 210.8632 90.89787 -19.64680      118.4559 
1 1 1 1   20 16 o 219.0435 50.93534 1.160782       0.8984231 2.694192       1.115970  -1.663601      1.514555  294.6088 74.71181 143.4782 69.25158 151.1306       101.8707 
1 1 1 1   20 17 o 312.9347 73.43832 3.717806       1.337713  3.814434       2.241622  3.664361       1.667100  306.1105 111.5081 319.7589 95.59654 -13.64835      146.8766 
1 1 1 1   20 18 o 381.6377 74.03904 5.255057       1.359727  4.699078       1.591283  6.759355       2.617492  371.4709 86.26653 391.8044 120.3545 -20.33356      148.0781 
1 1 1 1   21 0  o 1106.443 35.33348 31.42446       1.979014  32.03389       2.803437  30.81910       2.794082  1117.261 49.56244 1095.626 50.37245 21.63452       70.66695 
1 1 1 1   21 1  f 629.9696 36.53630 10.25990       1.154820  10.46931       1.649675  10.05867       1.617134  636.3150 51.65440 623.6243 51.68584 12.69073       73.07259 
1 1 1 1   21 2  o 242.5098 59.65649 1.430911       0.8529344 1.058668       1.623652  1.572787       1.002384  240.6397 93.29968 244.3798 74.36906 -3.740021      119.3130 
1 1 1 1   21 3  o 301.7810 64.80777 2.465042       1.063474  2.223151       1.743754  2.608297       1.341929  294.3083 98.98620 309.2537 83.67748 -14.94534      129.6155 
1 1 1 1   21 4  o 1077.811 49.15191 29.86225       2.682049  0.000000       0.000000  29.86225       2.682049  ?        ?        1077.811 49.15191 ?              ?        
1 1 1 1   21 5  o 231.6450 57.45607 1.303420       0.8007361 0.9333132      1.488989  1.454002       0.9497628 228.2877 89.11417 235.0023 72.54976 -6.714661      114.9121 
1 1 1 1   21 6  o 955.5587 44.21035 24.11761       1.993276  23.29387       3.440631  24.53374       2.445467  937.2894 73.08475 973.8279 49.76786 -36.53851      88.42071 
1 1 1 1   21 7  o 971.3599 36.05110 24.50809       1.766617  25.96626       2.500277  23.05436       2.496474  1001.662 49.30412 941.0576 52.61018 60.60449       72.10220 
1 1 1 1   21 8  o 931.6508 35.58447 22.66065       1.670332  23.54298       2.345182  21.75223       2.379606  950.8973 48.87991 912.4042 51.72787 38.49304       71.16894 
1 1 1 1   21 9  o 215.7721 60.42840 0.7359546      1.059744  -0.9716034     1.855937  1.562029       1.290878  186.8096 85.82789 244.7347 85.08783 -57.92509      120.8568 
1 1 1 1   21 10 o 213.9494 64.29111 0.3059806E-03  1.300320  -1.436287      1.835473  1.447774       1.842407  174.8222 82.00966 253.0766 99.03434 -78.25441      128.5822 
1 1 1 1   21 11 o 393.6038 63.01183 4.633976       0.9917183 4.684119       1.092956  4.400302       2.359397  417.3123 52.92107 369.8953 114.3736 47.41699       126.0237 
1 1 1 1   21 12 o 249.4779 59.92312 1.833584       0.8229648 2.050254       0.8898625 0.5529168      2.163425  268.2910 65.97391 230.6648 100.0528 37.62616       119.8462 
1 1 1 1   21 13 o 249.8761 65.37910 1.712011       0.9149420 1.808871       0.9818063 1.072682       2.522418  248.9265 73.09991 250.8257 108.4164 -1.899261      130.7582 
1 1 1 1   21 14 o 226.5530 63.64374 1.350749       0.9739997 1.631053       1.041233  -0.6118713     2.755191  234.7044 76.40584 218.4017 101.8050 16.30269       127.2875 
1 1 1 1   21 15 o 217.4011 63.74567 0.6226258      1.075608  -0.1729875     1.270737  2.633097       2.020010  161.4224 72.93456 273.3798 104.5686 -111.9574      127.4913 
1 1 1 1   21 16 o 389.5123 61.89500 5.757401       1.119394  6.418945       1.297892  3.836248       2.211771  473.7650 55.14345 305.2596 110.8294 168.5055       123.7900 
1 1 1 1   21 17 o 241.8256 65.42456 2.064286       1.117781  2.103392       1.517173  2.017858       1.653124  243.9178 91.22020 239.7335 93.81026 4.184235       130.8491 
1 1 1 1   21 18 o 343.1269 67.13362 5.039491       1.309841  5.825334       1.598964  3.436336       2.283802  416.2571 78.75871 269.9967 108.7417 146.2604       134.2672 
1 1 1 1   22 0  o 1150.648 43.91460 34.51152       2.410037  34.49804       2.964766  34.53779       4.138017  1156.600 50.63185 1144.697 71.76619 11.90259       87.82921 
1 1 1 1   22 1  o 1556.592 48.03756 63.44247       3.538956  63.34235       4.315866  63.64797       6.182865  1564.760 54.47993 1548.424 79.13510 16.33545       96.07511 
1 1 1 1   22 2  o 622.2187 53.46118 10.27334       1.642219  11.53743       2.447805  9.238673       2.214568  657.4830 74.87284 586.9544 76.33118 70.52856       106.9224 
1 1 1 1   22 3  o 996.0777 49.64960 25.61455       2.503760  0.000000       0.000000  25.61455       2.503760  ?        ?        996.0777 49.64960 ?              ?        
1 1 1 1   22 4  o 813.7089 43.53686 16.75607       1.645053  19.13023       3.036205  15.76950       1.957232  848.0487 71.38129 779.3691 49.86526 68.67963       87.07372 
1 1 1 1   22 5  o 674.7148 45.98111 12.12028       1.415869  12.00879       2.565945  12.16909       1.697722  665.8177 77.57610 683.6119 49.38623 -17.79419      91.96222 
1 1 1 1   22 6  o 325.1096 72.56926 3.016127       1.293509  3.105063       1.569921  2.828121       2.282573  329.7416 91.04563 320.4775 113.0305 9.264038       145.1385 
1 1 1 1   22 7  o 327.5848 61.65672 2.784625       0.9280643 3.783605       1.892900  2.468497       1.064830  357.9956 100.3842 297.1741 71.61852 60.82147       123.3134 
1 1 1 1   22 8  o 219.6310 63.43208 0.9046105      0.9578670 1.155055       1.040758  -0.4824049     2.449260  214.6685 76.25769 224.5934 101.3868 -9.924805      126.8642 
1 1 1 1   22 9  o 169.8082 48.36162 0.3521522      0.6517929 -0.4430904E-01 0.8774230 0.8403032      0.9736116 145.9622 63.51538 193.6541 72.94643 -47.69185      96.72324 
1 1 1 1   22 10 o 225.1351 54.71814 1.383664       0.7518465 1.532599       0.9557242 1.141837       1.217833  233.2444 72.90446 217.0258 81.61642 16.21861       109.4363 
1 1 1 1   22 11 o 547.5253 49.91886 7.118316       1.114369  6.189153       1.234184  11.21884       2.592708  478.6696 51.75222 616.3809 85.37726 -137.7114      99.83772 
1 1 1 1   22 12 o 478.7506 65.29507 7.806119       1.186418  8.284208       1.322190  5.830334       2.687878  555.4815 47.47134 402.0197 121.6563 153.4619       130.5901 
1 1 1 1   22 13 o 279.4312 64.45851 2.333684       0.9140129 2.223915       1.020311  2.779680       2.056637  271.6989 72.73323 287.1635 106.4400 -15.46466      128.9170 
1 1 1 1   22 14 o 130.8486 60.89520 -0.5857897     0.9794778 -0.5857897     0.9794778 0.000000       0.000000  130.8486 60.89520 ?        ?        ?              ?        
1 1 1 1   22 15 o 204.0448 62.71271 0.8190972      1.084067  0.6234661      1.261365  1.371966       2.120474  182.5545 77.74110 225.5350 98.42692 -42.98055      125.4254 
1 1 1 1   22 16 f 297.9023 70.76716 2.970911       1.134134  2.230331       1.311599  5.165633       2.257900  251.2566 85.84187 344.5479 112.5306 -93.29138      141.5343 
1 1 1 1   22 17 o 264.4191 71.59219 2.961782       1.347321  2.367595       1.835160  3.656523       1.984375  242.4520 97.53744 286.3863 104.8247 -43.93427      143.1844 
1 1 1 1   23 0  o 640.0002 39.55074 10.83631       1.255790  12.39632       1.772031  9.262402       1.779904  688.8040 51.18069 591.1964 60.31236 97.60760       79.10148 
1 1 1 1   23 1  o 908.1906 43.51444 21.61103       1.886565  21.22051       2.321308  22.37083       3.237853  902.0587 51.03862 914.3224 70.49174 -12.26367      87.02888 
1 1 1 1   23 2  o 710.8402 43.79770 13.21521       1.495694  12.73484       1.855235  14.10718       2.528044  696.8972 52.97987 724.7833 69.75735 -27.88611      87.59540 
1 1 1 1   23 3  o 391.0203 68.33669 4.177453       1.303564  0.000000       0.000000  4.177453       1.303564  ?        ?        391.0203 68.33669 ?              ?        
1 1 1 1   23 4  o 283.1845 61.96801 2.306296       0.9275328 1.695344       1.890753  2.499918       1.064409  267.0292 101.3995 299.3398 71.26205 -32.31067      123.9360 
1 1 1 1   23 5  o 286.3636 57.62643 1.619803       0.9584321 0.2700487      1.164616  4.452263       1.687086  179.6507 75.51118 393.0764 87.07056 -213.4256      115.2529 
1 1 1 1   23 6  o 292.3233 67.48880 2.363976       1.053368  2.265554       1.221907  2.648763       2.078501  281.1109 81.26470 303.5357 107.7729 -22.42480      134.9776 
1 1 1 1   23 7  o 502.2558 53.70064 6.740676       1.201376  8.055089       2.293594  6.243698       1.410324  524.9784 89.50634 479.5332 59.36034 45.44516       107.4013 
1 1 1 1   23 8  o 522.3651 47.55625 7.783887       1.174627  8.662724       1.534601  6.540542       1.825312  567.3934 54.07735 477.3366 78.24339 90.05679       95.11250 
1 1 1 1   23 9  o 203.8358 55.71327 0.9390780      0.8202773 0.7301098      1.224005  1.109439       1.105170  197.2980 79.55693 210.3735 78.01646 -13.07547      111.4265 
1 1 1 1   23 10 o 255.2333 56.27113 1.934707       0.7995851 1.981730       1.034940  1.865077       1.259379  259.0789 74.75875 251.3877 84.12424 7.691238       112.5423 
1 1 1 1   23 11 o 343.3968 54.78198 3.821519       0.9106347 4.427104       1.123046  2.658991       1.556007  398.4262 57.32637 288.3673 93.36995 110.0589       109.5640 
1 1 1 1   23 12 o 286.0439 68.85197 0.9725997      0.9093663 0.2344422      0.9680590 6.512215       2.651961  158.9112 67.89936 413.1765 119.8000 -254.2652      137.7039 
1 1 1 1   23 13 o 183.0900 58.40582 0.1620805      1.055685  0.2236456      1.240105  0.2461338E-04  2.011980  170.4594 74.80697 195.7207 89.71552 -25.26131      116.8116 
1 1 1 1   23 14 o 439.2328 79.50289 6.286990       1.702829  6.286990       1.702829  0.000000       0.000000  439.2328 79.50289 ?        ?        ?              ?        
1 1 1 1   23 15 o 284.0467 65.44823 3.268393       1.107082  3.502801       1.246754  2.394519       2.407234  323.8275 77.14691 244.2660 105.7461 79.56146       130.8965 
1 1 1 1   23 16 o 209.6113 62.75300 1.066159       1.018374  0.4938542      1.180203  2.734348       2.014956  169.0065 73.60258 250.2161 101.6583 -81.20958      125.5060 
1 1 1 1   23 17 o 176.7164 59.11967 0.1247580      1.396455  0.1056319      1.884804  0.1480340      2.079253  174.2207 82.15470 179.2121 85.03614 -4.991440      118.2393 
1 1 1 1   24 0  o 413.9655 60.20916 4.786824       1.157390  5.383036       2.038407  4.503165       1.406012  425.9309 96.73463 402.0000 71.71459 23.93091       120.4183 
1 1 1 1   24 1  o 524.2986 60.69230 7.815772       1.550196  8.345183       2.309102  7.381392       2.091614  539.5004 87.54147 509.0967 84.08752 30.40372       121.3846 
1 1 1 1   24 2  o 516.4427 86.26809 7.655873       2.176003  7.655873       2.176003  0.000000       0.000000  516.4427 86.26809 ?        ?        ?              ?        
1 1 1 1   24 3  o 188.8044 58.04491 0.6264655E-01  0.9831372 -0.7969452E-01 1.209054  0.3404462      1.689065  168.7614 73.96794 208.8474 89.47397 -40.08598      116.0898 
1 1 1 1   24 4  o 233.0180 59.24838 1.416747       0.8749186 1.281172       1.458097  1.493025       1.093691  232.4463 88.85848 233.5896 78.39420 -1.143311      118.4968 
1 1 1 1   24 5  o 285.7412 54.23751 2.311842       0.8092144 3.033798       1.222544  1.748892       1.079552  323.7463 75.90700 247.7362 77.49166 76.01006       108.4750 
1 1 1 1   24 6  o 431.2715 47.92660 5.294465       0.9956641 4.498292       1.455931  5.993943       1.364660  394.8199 75.59110 467.7232 58.93913 -72.90332      95.85320 
1 1 1 1   24 7  o 193.0071 52.04934 0.6277646      0.7114395 1.543146       1.179207  0.1038780      0.8920882 234.5094 81.33603 151.5048 64.96912 83.00461       104.0987 
1 1 1 1   24 8  o 262.2115 54.92859 1.945047       0.8819668 3.267765       1.250772  0.6369594      1.243836  331.7959 76.08221 192.6272 79.24707 139.1687       109.8572 
1 1 1 1   24 9  o 246.0558 60.47678 1.815285       0.9179593 1.538877       1.520174  1.973916       1.151628  236.6501 90.66711 255.4615 80.05772 -18.81142      120.9536 
1 1 1 1   24 10 o 184.0849 58.17052 0.1169900      0.9819433 0.1007263      1.971307  0.1223571      1.132433  203.1865 91.41105 164.9833 71.96705 38.20322       116.3410 
1 1 1 1   24 11 o 267.6437 56.97340 2.377041       0.8822553 2.929563       1.123070  1.486467       1.425828  308.9547 72.96562 226.3328 87.52079 82.62187       113.9468 
1 1 1 1   24 12 o 257.2896 62.14976 2.413323       0.9911696 2.720216       1.089338  0.9371309      2.389136  292.6352 73.59870 221.9439 100.1679 70.69124       124.2995 
1 1 1 1   24 13 o 130.3498 60.21999 -0.3742949     0.9316899 -0.3742949     0.9316899 0.000000       0.000000  130.3498 60.21999 ?        ?        ?              ?        
1 1 1 1   24 14 o 267.3914 67.17509 3.058774       1.232391  3.514779       1.449782  1.870992       2.339841  307.3332 88.42406 227.4495 101.1492 79.88365       134.3502 
1 1 1 1   24 15 o 189.9669 57.58625 0.9881437      0.9258175 1.073519       1.061172  0.7160518      1.894422  187.6264 74.61321 192.3073 87.73580 -4.680908      115.1725 
1 1 1 1   24 16 o 167.7711 55.42244 0.2709111      1.043527  0.5015169      1.154114  -0.7623650     2.442991  162.5636 71.72485 172.9785 84.51114 -10.41481      110.8449 
1 1 1 1   25 0  o 308.4487 80.19051 2.815757       1.263880  2.815757       1.263880  0.000000       0.000000  308.4487 80.19051 ?        ?        ?              ?        
1 1 1 1   25 1  o 361.0500 54.99702 3.800188       0.9755074 4.147650       1.414126  3.484724       1.347441  377.8782 76.54198 344.2218 78.99375 33.65643       109.9940 
1 1 1 1   25 2  o 305.8792 60.40694 2.662046       1.201424  5.010649       1.661115  0.8580907E-01  1.739754  411.6528 82.57745 200.1057 88.18706 211.5471       120.8139 
1 1 1 1   25 3  o 674.7260 39.29268 12.30034       1.323995  13.97297       1.936690  10.83269       1.814135  719.4217 53.55684 630.0302 57.50935 89.39154       78.58537 
1 1 1 1   25 4  o 394.7218 51.82984 4.515416       0.9975241 4.462981       1.398849  4.569669       1.422882  392.4737 73.09013 396.9699 73.50620 -4.496246      103.6597 
1 1 1 1   25 5  o 181.1386 52.17094 0.1299706      0.7869387 1.441683       1.279194  -0.6687074     0.9981664 229.4049 84.13321 132.8723 61.71571 96.53259       104.3419 
1 1 1 1   25 6  o 228.9114 56.86677 1.443011       0.8137569 1.891503       1.253635  1.116431       1.069765  250.9264 83.93235 206.8964 76.75075 44.03008       113.7335 
1 1 1 1   25 7  o 340.1116 54.22554 3.619170       0.9128740 2.779299       1.403696  4.234722       1.201709  295.7825 87.55925 384.4408 63.99229 -88.65823      108.4511 
1 1 1 1   25 8  o 299.4058 56.95191 2.775817       0.8782393 3.104151       1.324350  2.518085       1.173350  314.0848 82.29588 284.7269 78.74939 29.35794       113.9038 
1 1 1 1   25 9  o 157.7369 48.64852 0.5429468E-01  0.7539225 -0.5298511     1.140432  0.5077696      1.004813  144.1311 66.60033 171.3428 70.93031 -27.21178      97.29704 
1 1 1 1   25 10 o 133.5054 44.22449 -0.6663016     0.7459182 -0.5605912     0.9894106 -0.8054997     1.135362  131.5434 61.21343 135.4674 63.84466 -3.924026      88.44899 
1 1 1 1   25 11 o 226.7504 65.39911 1.474725       0.9847900 1.277045       1.088268  2.368425       2.313929  204.3797 77.09195 249.1211 105.6646 -44.74142      130.7982 
1 1 1 1   25 12 o 175.8895 54.57986 0.5126390      0.8502697 0.3982090      0.9990008 0.8134207      1.619651  159.1063 68.50115 192.6727 84.99081 -33.56644      109.1597 
1 1 1 1   25 13 o 119.6479 56.44724 -0.5849262     0.8917176 -0.5849262     0.8917176 0.000000       0.000000  119.6479 56.44724 ?        ?        ?              ?        
1 1 1 1   25 14 o 246.4644 63.30442 2.767576       1.241663  3.536794       1.403650  0.1257626E-04  2.662460  302.2857 87.01575 190.6431 91.96770 111.6426       126.6088 
1 1 1 1   25 15 o 229.3600 68.41035 2.487882       1.285712  2.130537       1.533287  3.334280       2.359754  220.3212 88.97163 238.3988 103.9421 -18.07762      136.8207 
1 1 1 1   26 0  f 596.7352 52.88737 10.54128       1.449030  10.88019       1.789341  9.895566       2.469845  627.4276 56.95124 566.0430 89.13390 61.38458       105.7747 
1 1 1 1   26 1  o 125.3538 42.83410 -1.484057      0.7997136 -1.283322      1.255687  -1.621037      1.037284  136.6281 65.18423 114.0795 55.58827 22.54855       85.66820 
1 1 1 1   26 2  o 565.0521 50.08917 8.613670       1.339683  11.65696       2.358839  7.164635       1.627668  629.3528 75.54152 500.7513 65.79650 128.6016       100.1783 
1 1 1 1   26 3  o 393.8536 51.94080 4.621755       0.9933102 7.474872       1.480931  2.288485       1.339237  517.7930 57.46210 269.9142 86.54187 247.8788       103.8816 
1 1 1 1   26 4  o 206.5317 55.91441 1.047876       0.8407615 1.552165       1.183232  0.5336045      1.194886  229.7219 81.34149 183.3415 76.74142 46.38045       111.8288 
1 1 1 1   26 5  o 203.3712 56.63383 0.9476175      0.8681749 1.478767       1.284267  0.5006151      1.178154  226.2086 84.05868 180.5338 75.91905 45.67479       113.2677 
1 1 1 1   26 6  o 182.7016 50.51445 0.5098827      0.7131796 1.529857       1.118676  -0.1885245     0.9256868 225.7031 79.16769 139.7001 62.76397 86.00308       101.0289 
1 1 1 1   26 7  o 246.1121 58.27547 1.949655       0.9143577 1.054741       1.403657  2.609319       1.205124  207.2775 84.60175 284.9466 80.16649 -77.66914      116.5509 
1 1 1 1   26 8  o 267.7561 64.55035 2.447307       1.009784  2.620870       1.801505  2.367795       1.219341  268.3081 99.58598 267.2041 82.15609 1.103973       129.1007 
1 1 1 1   26 9  o 401.7950 54.30264 5.199198       1.064122  5.399637       1.525107  5.009043       1.485469  410.1168 76.25977 393.4733 77.32758 16.64343       108.6053 
1 1 1 1   26 10 o 133.0063 44.11948 -0.6911445     0.7709430 -0.5606251E-01 1.064980  -1.390370      1.117469  146.9889 66.55864 119.0238 57.93153 27.96519       88.23897 
1 1 1 1   26 11 o 226.1642 65.70374 2.036240       1.195950  2.239996       1.340634  1.242157       2.646600  240.8517 86.44354 211.4767 98.97192 29.37503       131.4075 
1 1 1 1   26 12 o 203.2095 61.96243 1.434477       1.160905  1.249809       1.784839  1.569887       1.528371  199.2436 88.48632 207.1755 86.76141 -7.931946      123.9249 
1 1 1 1   26 13 o 259.5468 77.22132 2.496601       1.089754  2.496601       1.089754  0.000000       0.000000  259.5468 77.22132 ?        ?        ?              ?        
1 1 1 1   26 14 o 188.4387 62.51705 0.7537533      1.122297  0.2556692      1.227089  3.301960       2.775506  153.7521 70.32541 223.1253 103.3821 -69.37314      125.0341 
1 1 1 1   27 0  o 230.9345 63.02881 1.590602       1.043719  1.323035       1.671253  1.761681       1.336363  224.2312 92.00847 237.6377 86.16824 -13.40645      126.0576 
1 1 1 1   27 1  o 385.3115 64.71433 5.229797       1.218637  4.160890       2.136813  5.745041       1.483552  331.1480 109.5357 439.4751 68.94711 -108.3271      129.4287 
1 1 1 1   27 2  f 165.6906 49.69230 -0.5126649     0.9102241 1.327746       1.178975  -3.228360      1.432148  214.3723 80.36533 117.0089 58.46977 97.36337       99.38461 
1 1 1 1   27 3  o 266.8111 65.64651 2.234115       1.028448  1.789929       1.244010  3.193208       1.827982  237.5047 83.47491 296.1176 101.3400 -58.61287      131.2930 
1 1 1 1   27 4  o 199.8809 58.56429 0.3395838      0.9636828 2.255390       1.692909  -0.5788174     1.172125  256.2101 96.25216 143.5516 66.74300 112.6586       117.1286 
1 1 1 1   27 5  o 166.9526 56.24283 -1.175232      1.323205  -1.897645      1.986789  -0.5993721     1.773852  160.8957 78.06456 173.0095 80.98733 -12.11377      112.4857 
1 1 1 1   27 6  o 268.5806 59.61410 2.041435       0.9201145 4.177410       1.613811  1.012669       1.119987  343.6095 91.23796 193.5517 76.75285 150.0578       119.2282 
1 1 1 1   27 7  o 312.9659 58.59663 3.436390       1.042358  5.160831       1.492852  1.795881       1.456069  397.6236 76.94008 228.3081 88.39957 169.3155       117.1933 
1 1 1 1   27 8  o 204.3307 60.00212 1.180732       0.9467206 1.905979       1.735675  0.8735784      1.129543  226.4811 93.44511 182.1804 75.29295 44.30074       120.0042 
1 1 1 1   27 9  o 218.1450 67.22801 1.559890       1.181204  1.192456       1.323543  2.997831       2.618300  194.4454 81.02464 241.8446 107.3006 -47.39923      134.4560 
1 1 1 1   27 10 f 253.0770 59.58068 2.496904       0.9894097 1.245029       1.380232  3.820184       1.419049  193.4505 81.80473 312.7035 86.64534 -119.2530      119.1614 
1 1 1 1   27 11 o 210.7524 65.73108 1.591020       1.112045  1.309794       1.210312  3.114932       2.817411  192.5408 78.56995 228.9641 105.3995 -36.42325      131.4622 
1 1 1 1   27 12 o 232.5291 62.62333 2.495211       1.248483  0.1794317      2.036086  3.890539       1.580468  173.1121 82.70499 291.9461 94.05643 -118.8340      125.2467 
1 1 1 1   27 13 o 190.5244 61.16251 1.466615       1.151886  1.331858       1.283921  2.022564       2.607838  184.5107 78.50025 196.5381 93.81429 -12.02742      122.3250 
1 1 1 1   28 0  o 369.8918 68.41795 4.926140       1.334846  7.017131       2.050887  3.389318       1.758237  444.6339 94.04543 295.1497 99.39579 149.4842       136.8359 
1 1 1 1   28 1  o 276.2962 61.70321 2.685249       0.9935321 3.485307       1.441599  1.961446       1.371178  314.5858 87.38966 238.0067 87.13319 76.57916       123.4064 
1 1 1 1   28 2  o 121.6095 41.67365 -1.335800      0.7938819 -1.475080      1.171101  -1.217373      1.079877  122.2751 59.46599 120.9438 58.40006 1.331253       83.34729 
1 1 1 1   28 3  o 241.8257 62.90551 1.836736       0.9764992 3.194698       1.703561  1.172205       1.191713  284.3305 97.80971 199.3210 79.13073 85.00949       125.8110 
1 1 1 1   28 4  o 218.1423 62.47515 1.306593       1.060380  0.4923648      1.326848  2.745824       1.764059  176.0790 77.32353 260.2057 98.15115 -84.12669      124.9503 
1 1 1 1   28 5  o 220.1454 58.66530 1.522378       1.068333  2.910233       1.397441  -0.4295597     1.657274  276.4992 88.37605 163.7917 77.17607 112.7074       117.3306 
1 1 1 1   28 6  o 142.9657 45.94067 -0.9621916     0.8488348 0.9780524      1.158446  -3.211645      1.247344  184.1057 76.18249 101.8257 51.36545 82.27998       91.88134 
1 1 1 1   28 7  o 182.4080 57.89095 0.7663911      0.9617564 0.9943197      2.140454  0.7087337      1.076550  195.8810 90.76904 168.9350 71.87788 26.94603       115.7819 
1 1 1 1   28 8  o 170.7352 52.84681 0.6801658      0.8311000 1.049474       1.418147  0.4869753      1.025698  184.5329 80.51406 156.9375 68.47356 27.59537       105.6936 
1 1 1 1   28 9  o 260.2585 63.05927 2.981588       0.9970275 3.155411       1.498578  2.843540       1.335491  262.8003 91.66040 257.7167 86.62712 5.083527       126.1185 
1 1 1 1   28 10 o 190.0498 62.07829 1.148872       1.184818  0.9059349      1.314555  2.200597       2.735160  174.4210 76.77113 205.6787 97.57587 -31.25768      124.1566 
1 1 1 1   28 11 o 185.8943 59.94901 1.337441       1.188179  1.490772       1.297283  0.5391791      2.959999  190.5984 79.88267 181.1902 89.41081 9.408218       119.8980 
1 1 1 1   28 12 o 172.4190 58.03687 1.001041       1.386248  1.129565       2.068746  0.8962989      1.867556  174.8900 83.50196 169.9480 80.62590 4.941971       116.0737 
1 1 1 1   29 0  o 260.3519 63.21300 3.024997       1.184888  3.909444       1.441039  1.178928       2.081920  319.4114 86.83247 201.2924 91.88937 118.1190       126.4260 
1 1 1 1   29 1  o 234.1422 61.33211 2.134451       0.9991603 1.391195       1.378669  2.956707       1.450087  200.5485 83.05762 267.7360 90.26595 -67.18756      122.6642 
1 1 1 1   29 2  o 161.1237 51.13202 0.3332175      0.8663293 0.3450558      1.210136  0.3207718      1.240788  160.9514 72.07485 161.2959 72.54758 -0.3444977     102.2640 
1 1 1 1   29 3  o 252.3703 52.30978 2.193577       0.9473332 4.372540       1.320371  -0.1180406     1.359969  351.4366 76.39086 153.3040 71.48209 198.1326       104.6196 
1 1 1 1   29 4  o 211.5518 62.45733 1.886978       1.135255  1.442539       1.881265  2.141514       1.423697  198.8440 89.39308 224.2596 87.24992 -25.41560      124.9147 
1 1 1 1   29 5  o 212.4119 57.38867 1.485940       1.081161  3.426373       1.461709  -0.8579920     1.606513  279.0983 90.50981 145.7255 70.58194 133.3728       114.7773 
1 1 1 1   29 6  o 304.1284 96.24692 4.368284       1.660599  4.368284       1.660599  0.000000       0.000000  304.1284 96.24692 ?        ?        ?              ?        
1 1 1 1   29 7  o 153.8943 52.09532 0.7836925E-02  0.8782635 0.4865458      2.190376  -0.8387043E-01 0.9587051 175.7372 84.44222 132.0513 61.03442 43.68597       104.1906 
1 1 1 1   29 8  o 186.5736 57.53352 1.156299       0.9691330 2.421463       1.678120  0.5231878      1.187106  215.8620 90.68233 157.2851 70.83177 58.57692       115.0670 
1 1 1 1   29 9  o 120.6933 42.54361 -1.560842      0.8777958 -0.8095251     1.597565  -1.885764      1.050597  140.5561 68.59864 100.8305 50.33948 39.72559       85.08723 
1 1 1 1   29 10 f 112.0536 39.93066 -1.986697      0.8226180 -0.6613137     1.472093  -2.588491      0.9919466 135.9562 66.24250 88.15102 44.60673 47.80522       79.86131 
1 1 1 1   29 11 o 153.2991 52.46951 0.4237567      1.212597  0.7778863      1.334446  -1.254034      2.904617  155.6653 71.96976 150.9330 76.37115 4.732330       104.9390 
1 1 1 1   30 0  o 279.4030 70.29692 4.883189       1.431496  4.970318       1.597810  4.528809       3.222399  333.6778 91.73518 225.1283 106.5424 108.5495       140.5938 
1 1 1 1   30 1  o 138.6027 46.60993 -0.3344779     0.8936511 -0.4590704     1.263386  -0.2097165     1.264242  136.0146 65.02781 141.1907 66.79316 -5.176041      93.21986 
1 1 1 1   30 2  o 149.3013 50.57085 -0.1790881     1.040991  -0.1251741     1.262644  -0.2935101     1.839436  142.5966 67.24207 156.0060 75.55228 -13.40939      101.1417 
1 1 1 1   30 3  o 149.0641 48.76500 0.1814819      0.8768260 0.5799364      1.229057  -0.2315117     1.251280  158.7670 71.73222 139.3611 66.08016 19.40587       97.52999 
1 1 1 1   30 4  o 171.9568 54.54871 0.9452063      1.003975  0.3656468      1.441445  1.491268       1.399168  157.0618 73.35413 186.8519 80.75529 -29.79012      109.0974 
1 1 1 1   30 5  o 169.6973 54.54955 0.9055884      1.051374  1.374505       1.373772  0.2426395      1.633454  181.8914 79.30618 157.5031 74.92093 24.38835       109.0991 
1 1 1 1   30 6  o 128.5901 44.19571 -0.7173761     0.8648621 -0.4227146     1.435013  -0.8854586     1.083816  139.8423 67.47504 117.3379 57.09783 22.50437       88.39143 
1 1 1 1   30 7  o 133.8810 45.16308 -0.2447157     0.8334388 -0.5230377E-01 1.311626  -0.3750146     1.079356  141.4935 67.25564 126.2685 60.29507 15.22500       90.32616 
1 1 1 1   30 8  o 162.3033 52.32683 0.9351956      0.9337018 0.6503543      1.750748  1.048414       1.103776  159.8163 76.44649 164.7904 71.47254 -4.974121      104.6537 
1 1 1 1   30 9  o 143.0656 47.69657 0.3414310      0.9069439 -0.1228228     1.455458  0.6361272      1.159603  138.0069 66.92617 148.1243 67.97602 -10.11746      95.39314 
1 1 1 1   31 0  o 164.4809 58.32585 -0.5783721     1.135675  -1.573832      1.229565  5.203084       2.963181  112.1527 55.74185 216.8091 102.4718 -104.6564      116.6517 
1 1 1 1   31 1  o 224.4007 65.64277 3.474033       1.310674  3.709102       1.573735  2.941839       2.367932  252.3463 93.19345 196.4552 92.47094 55.89111       131.2855 
1 1 1 1   31 2  o 172.2400 57.17339 1.256493       1.301682  1.878869       1.703467  0.3831140      2.017944  185.2229 83.99655 159.2571 77.58714 25.96587       114.3468 
1 1 1 1   31 3  o 156.9637 52.12889 -0.4175526     1.198366  2.478376       1.635688  -3.773051      1.760699  201.4975 87.19939 112.4298 57.14850 89.06773       104.2578 
1 1 1 1   31 4  o 170.7337 52.42840 0.6541712      1.015687  -1.781186      1.485264  2.793467       1.392059  119.0254 59.48735 222.4421 86.34930 -103.4167      104.8568 
1 1 1 1   31 5  o 135.6312 46.37700 -0.2448614     0.9827519 0.2058974      1.305070  -0.8352329     1.493566  141.7155 67.28082 129.5470 63.84823 12.16852       92.75400 
1 1 1 1   31 6  o 185.1592 61.46585 1.698796       1.181087  5.617032       2.520179  0.5960049      1.337004  222.1301 101.2844 148.1884 69.66836 73.94171       122.9317 
1 1 1 1   31 7  o 172.1726 53.54574 1.638248       0.9000182 1.893165       1.329589  1.422653       1.222749  178.3599 77.88635 165.9853 73.50035 12.37460       107.0915 
1 1 1 1   32 0  o 132.7192 45.82658 -0.1695458     1.024725  0.2790589      1.295888  -0.9181403     1.674013  137.2933 65.69846 128.1450 63.90629 9.148315       91.65316 
1 1 1 1   32 1  o ?        ?        -3.751393      1.550462  0.000000       0.000000  -3.751393      1.550462  ?        ?        ?        ?        ?              ?        
1 1 1 1   32 2  o 165.9142 52.51527 1.463673       0.9294915 2.164186       1.322321  0.7794923      1.306815  185.0853 79.22681 146.7431 68.95308 38.34210       105.0305 
1 1 1 1   32 3  o 162.0188 52.34223 1.478432       0.9613053 1.159830       1.350810  1.805359       1.368342  153.8817 71.58055 170.1559 76.38757 -16.27419      104.6845 
1 1 1 1   32 4  o 160.8307 74.92598 -0.7834852     1.168470  1.650203       1.488972  -4.684748      1.885196  160.8307 74.92598 ?        ?        ?              ?        
1 1 1 2   0  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2   0  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2   0  2  o 3336.918 57.68361 282.4032       13.76290  282.4032       13.76290  282.4032       13.76290  3336.918 81.57695 3336.918 81.57695 0.000000       0.000000 
1 1 1 2   0  3  o 10871.10 167.5728 2999.205       130.2895  2999.205       130.2895  2999.205       130.2895  10871.10 236.9837 10871.10 236.9837 0.000000       0.000000 
1 1 1 2   0  4  o 4641.751 107.5136 547.5374       35.64405  547.5374       35.64405  547.5374       35.64405  4641.751 152.0472 4641.751 152.0472 0.000000       0.000000 
1 1 1 2   0  5  o 5563.638 126.4648 788.1146       50.25850  788.1146       50.25850  788.1146       50.25850  5563.638 178.8483 5563.638 178.8483 0.000000       0.000000 
1 1 1 2   0  6  o 1125.480 33.30260 32.41979       2.672897  32.41979       2.672897  32.41979       2.672897  1125.480 47.09699 1125.480 47.09699 0.000000       0.000000 
1 1 1 2   0  7  o ?        ?        400.3288       18.90752  400.3288       18.90752  400.3288       18.90752  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 2   0  8  o 2438.570 46.60187 151.0928       8.123056  151.0928       8.123056  151.0928       8.123056  2438.570 65.90500 2438.570 65.90500 0.000000       0.000000 
1 1 1 2   0  9  o 708.0058 46.26408 13.02780       2.299159  13.02780       2.299159  13.02780       2.299159  708.0058 65.42729 708.0058 65.42729 0.000000       0.000000 
1 1 1 2   0  10 o 208.6318 68.13978 1.614288       1.121325  1.614288       1.121325  1.614288       1.121325  208.6318 96.36420 208.6318 96.36420 0.000000       0.000000 
1 1 1 2   0  11 o 2225.745 44.39485 126.1446       7.061944  126.1446       7.061944  126.1446       7.061944  2225.745 62.78379 2225.745 62.78379 0.000000       0.000000 
1 1 1 2   0  12 o 455.1102 38.09315 5.470242       1.195495  5.470242       1.195495  5.470242       1.195495  455.1102 53.87185 455.1102 53.87185 0.000000       0.000000 
1 1 1 2   0  13 o 1828.400 40.23992 85.10650       5.256218  85.10650       5.256218  85.10650       5.256218  1828.400 56.90784 1828.400 56.90784 0.000000       0.000000 
1 1 1 2   0  14 o 679.3543 50.59999 12.14206       2.398708  12.14206       2.398708  12.14206       2.398708  679.3543 71.55919 679.3543 71.55919 0.000000       0.000000 
1 1 1 2   0  15 o 94.18436 45.68635 -0.6692404     0.9912287 -0.6692404     0.9912287 -0.6692404     0.9912287 94.18436 64.61026 94.18436 64.61026 0.000000       0.000000 
1 1 1 2   0  16 o 934.3062 34.54514 22.40454       2.296439  22.40454       2.296439  22.40454       2.296439  934.3062 48.85421 934.3062 48.85421 0.000000       0.000000 
1 1 1 2   0  17 o 569.9634 38.35396 8.530946       1.532586  8.530946       1.532586  8.530946       1.532586  569.9634 54.24069 569.9634 54.24069 0.000000       0.000000 
1 1 1 2   0  18 o 129.8141 58.39627 0.1842720      1.190115  0.1842720      1.190115  0.1842720      1.190115  129.8141 82.58480 129.8141 82.58480 0.000000       0.000000 
1 1 1 2   0  19 o 732.9683 52.83375 14.55493       2.706616  14.55493       2.706616  14.55493       2.706616  732.9683 74.71820 732.9683 74.71820 0.000000       0.000000 
1 1 1 2   0  20 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2   0  21 o 399.2413 57.29162 4.782731       1.449716  4.782731       1.449716  4.782731       1.449716  399.2413 81.02258 399.2413 81.02258 0.000000       0.000000 
1 1 1 2   0  22 o 252.6429 77.95296 2.716383       1.465309  2.716383       1.465309  2.716383       1.465309  252.6429 110.2421 252.6429 110.2421 0.000000       0.000000 
1 1 1 2   0  23 o 267.4374 85.21769 3.319818       1.749282  3.319818       1.749282  3.319818       1.749282  267.4374 120.5160 267.4374 120.5160 0.000000       0.000000 
1 1 1 2   1  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2   1  1  o 37610.38 1191.071 37387.83       2267.927  37387.83       2267.927  0.000000       0.000000  37610.38 1191.071 ?        ?        ?              ?        
1 1 1 2   1  2  o 3262.170 80.05646 269.5324       13.21892  275.9141       18.69584  263.1527       18.69291  3300.804 111.8772 3223.535 114.5410 77.26953       160.1129 
1 1 1 2   1  3  o 13092.19 200.6908 4353.146       133.0200  4326.108       188.1177  4380.185       188.1197  13051.40 284.7011 13132.98 282.9353 -81.58691      401.3815 
1 1 1 2   1  4  o 3827.379 78.08789 369.8913       14.29033  367.4615       17.50489  374.7461       24.74341  3809.065 90.77316 3845.693 127.0870 -36.62866      156.1758 
1 1 1 2   1  5  o 1368.753 49.23780 47.53750       3.404081  45.76042       4.800990  49.33412       4.827312  1342.050 70.91249 1395.456 68.32907 -53.40601      98.47560 
1 1 1 2   1  6  f 4867.024 90.48660 695.3637       22.29621  694.3717       31.53143  696.3558       31.53177  4863.002 128.0724 4871.046 127.8623 -8.043945      180.9732 
1 1 1 2   1  7  o ?        ?        318.2261       10.86646  309.9844       15.36525  326.4726       15.36973  ?        ?        ?        ?        ?              ?        
1 1 1 2   1  8  o 2563.087 47.86872 166.7974       6.210445  163.1360       8.780187  170.4633       8.785607  2534.856 68.41744 2591.319 66.96799 -56.46313      95.73745 
1 1 1 2   1  9  o 1657.245 47.11695 70.80866       3.701634  72.99866       4.541701  66.47541       6.388569  1696.803 52.86928 1617.687 78.00556 79.11682       94.23390 
1 1 1 2   1  10 o 800.2338 38.96835 15.91904       1.493596  17.70359       2.594461  15.03445       1.826649  832.2030 62.02460 768.2645 47.19194 63.93848       77.93671 
1 1 1 2   1  11 o 1505.636 36.79902 57.62070       2.805010  57.80543       3.961091  57.43488       3.972701  1508.076 51.88095 1503.197 52.20190 4.879272       73.59805 
1 1 1 2   1  12 o 755.1979 33.02429 14.53428       1.256001  14.79172       1.764989  14.27017       1.787736  762.0763 45.96180 748.3195 47.43340 13.75677       66.04858 
1 1 1 2   1  13 o 1450.228 36.57902 53.44440       2.685174  52.49210       3.807897  54.38628       3.787007  1437.314 52.32992 1463.142 51.12415 -25.82825      73.15804 
1 1 1 2   1  14 o 1670.976 47.67994 71.52903       3.796173  71.93099       4.650298  70.72610       6.572470  1680.641 54.65403 1661.311 78.14373 19.33008       95.35988 
1 1 1 2   1  15 o 228.0468 81.66041 1.144907       1.195729  0.000000       0.000000  1.144907       1.195729  ?        ?        228.0468 81.66041 ?              ?        
1 1 1 2   1  16 o 1002.885 42.71978 26.05203       2.040075  25.16382       3.479592  26.51727       2.518313  986.4124 70.13347 1019.358 48.79770 -32.94543      85.43956 
1 1 1 2   1  17 o 1231.667 45.78749 39.69396       2.650136  40.48829       3.231580  38.06270       4.631028  1256.641 50.79486 1206.693 76.19618 49.94885       91.57497 
1 1 1 2   1  18 o 1032.952 45.68096 28.58097       2.214580  30.06826       2.729678  25.71687       3.787978  1080.524 49.89915 985.3804 76.53153 95.14386       91.36192 
1 1 1 2   1  19 o 943.4315 46.69464 24.10860       2.049279  25.28990       2.511594  21.75584       3.544523  987.1737 50.42237 899.6893 78.60753 87.48438       93.38928 
1 1 1 2   1  20 o 702.7007 55.05664 13.47418       1.920387  14.49979       2.723159  12.45953       2.708575  731.6070 74.56321 673.7945 81.02630 57.81250       110.1133 
1 1 1 2   1  21 o 512.4495 63.00269 8.382309       1.366862  9.553678       1.633973  5.652011       2.494612  599.2363 54.45401 425.6626 113.6315 173.5737       126.0054 
1 1 1 2   1  22 o 277.5483 67.62450 2.176958       1.139012  2.810087       1.795496  1.750584       1.473443  303.1019 100.4143 251.9946 90.60498 51.10732       135.2490 
1 1 1 2   1  23 o 343.7214 68.39984 3.582842       1.242821  4.865374       1.951419  2.707622       1.612038  391.9935 98.46159 295.4492 94.97089 96.54431       136.7997 
1 1 1 2   2  0  o 5841.018 185.5480 864.5690       54.86917  864.5690       54.86917  0.000000       0.000000  5841.018 185.5480 ?        ?        ?              ?        
1 1 1 2   2  1  o 5572.687 125.6575 787.0930       35.43917  762.9241       50.11553  811.2678       50.12158  5487.011 180.4068 5658.363 174.9646 -171.3525      251.3150 
1 1 1 2   2  2  o 6987.619 154.9594 1238.167       54.81416  1257.102       77.51972  1219.233       77.51813  7041.142 217.4631 6934.096 220.8156 107.0454       309.9189 
1 1 1 2   2  3  o 4974.177 98.68784 627.6978       23.41742  629.3954       28.68456  624.3054       40.54827  4984.981 113.6583 4963.373 161.3659 21.60791       197.3757 
1 1 1 2   2  4  o 3430.056 58.94930 298.0005       10.23510  304.3001       14.47655  291.7042       14.47267  3466.323 82.49213 3393.789 84.23260 72.53394       117.8986 
1 1 1 2   2  5  o 2192.646 54.63611 124.2699       5.658029  115.0447       9.797861  128.8855       6.930396  2129.809 90.86716 2255.483 60.69247 -125.6743      109.2722 
1 1 1 2   2  6  o ?        ?        68.82272       3.134616  67.32014       4.432642  70.32581       4.433390  ?        ?        ?        ?        ?              ?        
1 1 1 2   2  7  o ?        ?        4.207084       0.6647397 4.551044       0.9448656 3.870000       0.9353739 ?        ?        ?        ?        ?              ?        
1 1 1 2   2  8  o 899.2631 32.05451 20.54755       1.454650  20.53202       2.060029  20.56300       2.054354  898.9155 45.41296 899.6105 45.25074 -0.6950073     64.10902 
1 1 1 2   2  9  o 1099.547 41.01247 30.81067       2.143771  30.98665       2.628462  30.46103       3.704988  1105.662 46.95649 1093.433 67.25459 12.22888       82.02495 
1 1 1 2   2  10 o 499.2801 46.65978 6.381439       1.165753  0.000000       0.000000  6.381439       1.165753  ?        ?        499.2801 46.65978 ?              ?        
1 1 1 2   2  11 o 2045.422 42.24426 106.4734       4.374502  107.0666       6.185471  105.8798       6.187489  2051.154 59.56497 2039.689 59.91930 11.46448       84.48851 
1 1 1 2   2  12 o 1402.887 36.05389 49.98036       2.559697  51.78617       3.631580  48.19748       3.608447  1428.137 50.22755 1377.637 51.73706 50.49976       72.10777 
1 1 1 2   2  13 o 865.3497 41.06361 19.24840       1.685202  18.77128       2.895681  19.49275       2.072285  855.7865 67.37965 874.9129 46.95597 -19.12640      82.12722 
1 1 1 2   2  14 o 808.5397 47.92744 16.68461       1.953116  16.68461       1.953116  0.000000       0.000000  808.5397 47.92744 ?        ?        ?              ?        
1 1 1 2   2  15 o 1697.557 56.13032 74.17847       4.823933  73.89664       6.803736  74.46337       6.840555  1694.337 79.31659 1700.776 79.44389 -6.439331      112.2606 
1 1 1 2   2  16 o 1555.624 38.34532 61.89172       3.019515  63.20141       4.275746  60.58875       4.264751  1572.190 53.71843 1539.057 54.73376 33.13245       76.69064 
1 1 1 2   2  17 o 1255.496 36.30729 40.43807       2.307716  40.04284       3.255475  40.83727       3.271792  1249.289 51.47160 1261.703 51.22063 -12.41382      72.61459 
1 1 1 2   2  18 o 1126.627 35.97575 32.71454       2.047442  29.89954       2.861807  35.66621       2.930456  1076.321 52.51881 1176.934 49.18123 -100.6133      71.95150 
1 1 1 2   2  19 o 757.5931 47.95736 15.52760       1.676517  16.07146       2.042639  14.40497       2.934704  785.7842 51.63319 729.4020 80.83098 56.38220       95.91472 
1 1 1 2   2  20 o 570.5298 43.13116 8.729085       1.214476  9.600794       1.680505  7.776092       1.757111  603.1667 55.66034 537.8929 65.90232 65.27380       86.26233 
1 1 1 2   2  21 f 185.9306 55.28338 0.2130398      0.8470549 -0.9583124E-01 1.044771  0.8055239      1.447008  157.3455 68.86694 214.5157 86.50060 -57.17024      110.5668 
1 1 1 2   2  22 f 368.0243 56.63717 4.003652       1.047044  5.587515       1.505599  2.520224       1.457080  446.0341 68.89392 290.0145 89.91498 156.0196       113.2743 
1 1 1 2   2  23 o 585.0667 60.25995 9.707991       1.555352  9.139566       1.824067  11.22223       2.977162  572.9015 63.98215 597.2319 102.1339 -24.33044      120.5199 
1 1 1 2   3  0  o 25681.91 563.1663 17048.29       732.2280  17094.53       1035.527  17002.04       1035.526  25717.48 795.3338 25646.34 797.5394 71.13477       1126.333 
1 1 1 2   3  1  o 8581.949 188.4135 1869.050       81.85661  1893.496       115.7635  1844.605       115.7619  8638.214 264.7063 8525.686 268.1963 112.5283       376.8271 
1 1 1 2   3  2  o 10963.00 239.1820 3056.440       132.7322  3117.343       187.7123  2995.539       187.7111  11072.73 334.8532 10853.27 341.6218 219.4570       478.3640 
1 1 1 2   3  3  o 5152.341 116.7666 672.9433       30.45707  680.6931       43.10248  665.2148       43.04319  5182.005 164.2937 5122.677 165.9678 59.32813       233.5331 
1 1 1 2   3  4  o 4356.472 87.61142 478.7700       18.26415  488.2375       31.62084  474.0301       22.37374  4387.645 142.3503 4325.300 102.1736 62.34473       175.2228 
1 1 1 2   3  5  o 736.9016 37.54269 13.75319       1.304596  14.05129       2.290748  13.61010       1.587126  742.0383 61.53236 731.7648 43.03004 10.27344       75.08539 
1 1 1 2   3  6  o ?        ?        100.8931       4.823610  101.8776       5.901261  98.91108       8.373015  ?        ?        ?        ?        ?              ?        
1 1 1 2   3  7  o 2529.853 48.06297 163.7629       6.155791  162.8023       8.705194  164.7236       8.706011  2522.354 68.16930 2537.352 67.77272 -14.99805      96.12594 
1 1 1 2   3  8  o 667.7004 31.02539 11.34770       1.042213  11.88877       1.481054  10.81693       1.466873  683.6080 43.01303 651.7930 44.72335 31.81500       62.05078 
1 1 1 2   3  9  o 1037.626 32.89931 27.29335       1.728218  27.33867       2.435855  27.24742       2.452368  1038.500 46.32990 1036.753 46.72256 1.746826       65.79861 
1 1 1 2   3  10 o 736.7126 39.63092 13.95173       1.380705  13.63693       2.377643  14.11189       1.695956  729.1244 65.09575 744.3008 45.22150 -15.17645      79.26185 
1 1 1 2   3  11 o 2625.497 70.11954 177.0895       9.314555  184.2487       13.17418  169.9333       13.17136  2679.342 97.12067 2571.652 101.1661 107.6895       140.2391 
1 1 1 2   3  12 o 3380.573 72.92680 293.5370       11.74087  294.5461       14.37051  291.5113       20.36149  3396.743 83.56527 3364.403 119.5413 32.33984       145.8536 
1 1 1 2   3  13 o 1700.088 39.04569 73.49992       3.360379  74.52096       4.746878  72.47423       4.757728  1711.987 54.76764 1688.190 55.66660 23.79724       78.09138 
1 1 1 2   3  14 o 228.8969 47.40580 1.309184       0.6360230 0.5032437      0.9164968 2.057904       0.8833628 179.3762 69.94387 278.4177 64.00854 -99.04147      94.81159 
1 1 1 2   3  15 o 674.1515 42.70452 11.16619       1.378119  13.55391       2.407726  10.00281       1.680647  724.4221 66.38800 623.8809 53.73396 100.5412       85.40904 
1 1 1 2   3  16 o 623.3899 45.89145 9.954443       1.311144  9.748220       1.567040  10.43579       2.394086  615.6688 50.72619 631.1111 76.49154 -15.44232      91.78291 
1 1 1 2   3  17 o 1071.842 36.15207 29.46384       1.960869  28.27337       2.735473  30.72211       2.812297  1049.485 51.48402 1094.199 50.76696 -44.71411      72.30413 
1 1 1 2   3  18 o 1051.207 36.87722 28.59762       1.956383  29.65478       2.736244  27.49197       2.798284  1072.450 50.39578 1029.963 53.85149 42.48694       73.75445 
1 1 1 2   3  19 o 671.2915 38.11467 11.76460       1.281862  11.49640       1.750475  12.07473       1.882353  663.5405 52.53765 679.0426 55.23322 -15.50214      76.22934 
1 1 1 2   3  20 o 215.2557 60.87936 0.6132994      1.085144  -0.8621348     1.767728  1.505486       1.374623  185.1444 84.57783 245.3670 87.58868 -60.22263      121.7587 
1 1 1 2   3  21 o 235.2787 49.54437 0.9018962      0.8693398 3.163845       1.231753  -1.343083      1.227124  333.7414 74.75687 136.8159 65.03837 196.9255       99.08875 
1 1 1 2   3  22 o 628.7659 44.45529 10.85150       1.390752  10.68816       1.882572  11.04776       2.063498  625.5676 60.18480 631.9641 65.44373 -6.396423      88.91058 
1 1 1 2   3  23 o 326.4705 62.64716 3.443134       1.089708  4.049663       1.376536  2.424976       1.783486  371.7542 75.71086 281.1868 99.83251 90.56735       125.2943 
1 1 1 2   4  0  o 23432.04 513.6980 14181.10       609.3976  14214.39       861.8181  14147.80       861.8186  23460.11 725.6078 23403.98 727.3484 56.13086       1027.396 
1 1 1 2   4  1  o 3574.882 86.08790 323.6970       15.58072  323.6192       22.03456  323.7748       22.03436  3574.453 121.7619 3575.312 121.7315 -0.8593750     172.1758 
1 1 1 2   4  2  o 5912.391 132.8068 886.3210       39.75252  889.7307       56.21683  882.9108       56.22027  5923.783 187.4492 5900.998 188.1845 22.78467       265.6136 
1 1 1 2   4  3  o 8086.571 252.2714 1662.420       103.2800  1662.420       103.2800  0.000000       0.000000  8086.571 252.2714 ?        ?        ?              ?        
1 1 1 2   4  4  o 1662.819 45.90638 70.95301       3.624997  67.34840       6.255736  72.77526       4.447875  1630.415 75.78732 1695.223 51.82534 -64.80786      91.81276 
1 1 1 2   4  5  o 4028.164 85.44416 422.5618       16.28557  399.8651       28.22291  433.8915       19.94021  3935.044 141.6670 4121.283 95.56825 -186.2385      170.8883 
1 1 1 2   4  6  o ?        ?        260.2098       10.46266  253.5931       12.80215  273.5175       18.15577  ?        ?        ?        ?        ?              ?        
1 1 1 2   4  7  o 2123.736 52.40785 114.3000       5.318790  116.5654       9.229389  113.1735       6.508184  2137.342 85.29340 2110.130 60.92100 27.21167       104.8157 
1 1 1 2   4  8  o 2051.361 59.18701 106.9442       6.144447  110.8234       8.719430  103.1178       8.659994  2088.431 82.46777 2014.290 84.92040 74.14172       118.3740 
1 1 1 2   4  9  o 3188.308 79.89931 259.8719       12.89604  262.8236       18.21151  256.9031       18.26410  3206.692 112.1773 3169.923 113.8062 36.76953       159.7986 
1 1 1 2   4  10 o 2266.547 63.72090 131.5786       7.309830  135.3083       10.34678  127.8621       10.32857  2298.969 88.89722 2234.125 91.31647 64.84473       127.4418 
1 1 1 2   4  11 o 411.5724 52.86317 5.001118       0.9426997 5.794092       1.131623  3.202895       1.704096  475.3100 47.66867 347.8349 94.37032 127.4751       105.7263 
1 1 1 2   4  12 o 537.0814 34.15435 7.381799       0.9179026 6.992771       1.289626  7.781234       1.306764  522.5005 49.33605 551.6622 47.24440 -29.16168      68.30871 
1 1 1 2   4  13 o 2169.344 43.80966 119.8540       4.811317  118.5012       6.799269  121.2108       6.809202  2157.017 62.26226 2181.670 61.64865 -24.65234      87.61932 
1 1 1 2   4  14 o 393.1480 50.37417 3.960458       0.9303525 4.491533       1.580273  3.678744       1.150955  411.7220 78.68165 374.5740 62.92398 37.14801       100.7483 
1 1 1 2   4  15 f 990.2197 43.01401 25.12482       2.021128  25.20334       3.506561  25.08575       2.473300  988.3914 70.53912 992.0480 49.24482 -3.656616      86.02802 
1 1 1 2   4  16 o 615.2216 42.87466 9.290939       1.262254  8.156742       1.540544  11.60777       2.201794  561.8580 54.85801 668.5851 65.90556 -106.7271      85.74931 
1 1 1 2   4  17 o 821.7262 36.81843 17.45886       1.519872  18.40161       2.118882  16.45974       2.181323  845.3880 49.72604 798.0643 54.31120 47.32367       73.63686 
1 1 1 2   4  18 o 923.5922 44.96847 21.93781       1.963184  21.16763       2.381357  23.57169       3.468451  903.6994 52.27276 943.4849 73.18613 -39.78552      89.93694 
1 1 1 2   4  19 o 348.3436 60.97811 2.960932       1.144640  5.854649       1.870704  1.229192       1.447166  459.9777 83.40251 236.7095 88.97944 223.2682       121.9562 
1 1 1 2   4  20 o 539.4363 55.79198 7.863489       1.389002  8.547058       2.448457  7.539102       1.686679  549.2673 91.25117 529.6052 64.21995 19.66217       111.5840 
1 1 1 2   4  21 o 373.8591 64.29829 4.194974       1.164270  4.346390       1.427358  3.893946       2.012566  392.0834 74.63327 355.6349 104.7232 36.44855       128.5966 
1 1 1 2   4  22 o 355.4153 67.97147 3.968025       1.260822  3.465466       1.884177  4.375535       1.696669  330.8855 102.1913 379.9453 89.65170 -49.05978      135.9429 
1 1 1 2   4  23 o 282.6087 70.31105 2.466177       1.228400  2.474529       1.549056  2.452027       2.016338  282.7198 93.25005 282.4976 105.2569 0.2222595      140.6221 
1 1 1 2   5  0  o 4284.923 99.91494 465.2154       21.67476  463.2844       30.65218  467.1465       30.65330  4276.022 141.5917 4293.825 141.0098 -17.80273      199.8299 
1 1 1 2   5  1  o 10289.96 225.0648 2694.611       117.2457  2676.234       165.8089  2712.989       165.8121  10254.68 319.3758 10325.23 317.1997 -70.55176      450.1295 
1 1 1 2   5  2  o 7061.710 221.7285 1266.422       79.27113  1266.422       79.27113  0.000000       0.000000  7061.710 221.7285 ?        ?        ?              ?        
1 1 1 2   5  3  o 2842.154 102.7014 204.7129       14.77772  0.000000       0.000000  204.7129       14.77772  ?        ?        2842.154 102.7014 ?              ?        
1 1 1 2   5  4  o 2694.011 49.56361 183.9850       6.759927  183.0581       9.558604  184.9125       9.561358  2687.213 70.26009 2700.808 69.92657 -13.59521      99.12722 
1 1 1 2   5  5  o ?        ?        87.61655       4.264288  95.55070       7.428380  83.71685       5.207860  ?        ?        ?        ?        ?              ?        
1 1 1 2   5  6  o ?        ?        152.8407       8.213767  150.7041       11.60885  154.9826       11.62321  ?        ?        ?        ?        ?              ?        
1 1 1 2   5  7  o 1891.457 51.31145 93.40815       4.558486  98.08044       5.578869  84.02211       7.907200  1966.081 56.04814 1816.833 85.96548 149.2478       102.6229 
1 1 1 2   5  8  o 1043.133 41.11446 28.60188       2.007198  30.45699       2.470182  24.99642       3.443691  1096.285 44.50633 989.9813 69.14320 106.3037       82.22892 
1 1 1 2   5  9  o 2925.372 64.63302 218.2988       9.028667  218.3879       15.61320  218.2541       11.06665  2922.040 105.5412 2928.704 74.63752 -6.664063      129.2660 
1 1 1 2   5  10 o 2495.251 58.59322 159.3527       6.968802  159.1142       12.08504  159.4715       8.529817  2489.376 95.89011 2501.127 67.36282 -11.75122      117.1864 
1 1 1 2   5  11 o 867.5491 40.76078 19.36951       1.665371  19.65653       2.035277  18.78800       2.897010  878.7772 45.90616 856.3210 67.36755 22.45612       81.52155 
1 1 1 2   5  12 o 967.1342 33.13301 23.78135       1.618471  24.78521       2.291513  22.78211       2.286222  988.1806 45.80390 946.0878 47.88725 42.09277       66.26602 
1 1 1 2   5  13 o 352.7650 50.05015 2.971143       0.7924270 2.549631       0.9263332 4.121182       1.530096  311.0635 61.00115 394.4664 79.36580 -83.40283      100.1003 
1 1 1 2   5  14 o 1162.037 42.85776 34.75106       2.380884  33.89302       4.051339  35.20373       2.942652  1148.264 70.02509 1175.809 49.43315 -27.54517      85.71552 
1 1 1 2   5  15 o 1102.271 42.85708 30.88962       2.271863  32.03189       3.876510  30.29204       2.803839  1114.860 69.02045 1089.681 50.82416 25.17957       85.71416 
1 1 1 2   5  16 o 1064.367 44.97469 29.49652       2.229928  29.97319       2.698470  28.47004       3.959872  1082.797 49.22512 1045.937 75.28465 36.86047       89.94938 
1 1 1 2   5  17 o 820.9222 35.87090 17.41693       1.480374  18.32833       2.070178  16.46316       2.117763  843.6269 48.67682 798.2175 52.70154 45.40942       71.74179 
1 1 1 2   5  18 o 930.5812 46.24236 23.04459       1.995215  23.53687       2.417523  21.99296       3.533393  953.4620 50.25975 907.7005 77.63621 45.76147       92.48472 
1 1 1 2   5  19 o 680.5890 50.66313 12.69404       1.617572  11.54704       2.696915  13.33851       2.021559  648.5958 84.11208 712.5822 56.49928 -63.98633      101.3263 
1 1 1 2   5  20 o 668.6459 48.24205 11.80522       1.556160  13.13414       2.601977  11.06518       1.941693  692.9768 75.38126 644.3149 60.22331 48.66187       96.48410 
1 1 1 2   5  21 o 446.1905 68.10767 6.259293       1.382992  6.687194       1.643646  5.221866       2.559265  491.6303 67.84443 400.7507 118.1175 90.87964       136.2153 
1 1 1 2   5  22 o 209.2560 55.45953 0.9676887      0.8583508 1.688560       1.136690  0.1123994E-01  1.309314  242.9162 79.86806 175.5959 76.96836 67.32036       110.9191 
1 1 1 2   5  23 f 239.1932 68.69688 1.256146       1.152235  1.064869       1.323343  1.855659       2.342827  213.1613 83.77783 265.2251 108.8959 -52.06375      137.3938 
1 1 1 2   6  0  o 6534.162 145.8355 1084.208       48.24314  1087.077       68.22617  1081.339       68.22605  6542.835 205.9688 6525.490 206.5159 17.34521       291.6710 
1 1 1 2   6  1  o 6104.996 193.7425 946.5110       59.88166  946.5110       59.88166  0.000000       0.000000  6104.996 193.7425 ?        ?        ?              ?        
1 1 1 2   6  2  o 2344.448 90.44473 139.2719       10.73514  139.2719       10.73514  0.000000       0.000000  2344.448 90.44473 ?        ?        ?              ?        
1 1 1 2   6  3  o 5061.785 164.2816 653.1724       42.09943  0.000000       0.000000  653.1724       42.09943  ?        ?        5061.785 164.2816 ?              ?        
1 1 1 2   6  4  o 1794.859 49.49069 83.60048       4.199966  85.55719       5.133485  79.63905       7.304245  1831.212 55.37197 1758.505 82.04424 72.70752       98.98138 
1 1 1 2   6  5  o ?        ?        124.0876       5.663520  126.9011       6.927869  118.4188       9.833672  ?        ?        ?        ?        ?              ?        
1 1 1 2   6  6  o 1132.739 33.48362 32.61052       1.920178  32.56392       2.720545  32.65678       2.710567  1131.921 47.47403 1133.557 47.23164 -1.635986      66.96724 
1 1 1 2   6  7  o 1752.933 38.92760 77.93195       3.454325  79.13221       4.882152  76.72873       4.888162  1766.476 54.59084 1739.390 55.50920 27.08667       77.85520 
1 1 1 2   6  8  o 3593.306 75.07355 326.6932       12.92454  321.5865       15.83576  336.8814       22.36761  3555.565 87.97247 3631.046 121.6758 -75.48120      150.1471 
1 1 1 2   6  9  o 293.9506 39.35934 2.301219       0.5603374 2.663409       0.7702700 1.894115       0.8166345 320.2557 49.07141 267.6454 61.55182 52.61023       78.71867 
1 1 1 2   6  10 o 1270.130 34.91650 40.99902       2.245171  40.61876       3.174494  41.37960       3.175809  1264.215 49.59864 1276.046 49.15917 -11.83008      69.83301 
1 1 1 2   6  11 o 940.3729 32.93381 22.46918       1.564720  21.68028       2.193648  23.28631       2.232562  922.9373 47.10418 957.8085 46.04063 -34.87122      65.86762 
1 1 1 2   6  12 o 1983.215 41.89413 100.0452       4.206029  101.3236       5.941542  98.76096       5.954927  1995.987 58.79735 1970.443 59.69377 25.54431       83.78827 
1 1 1 2   6  13 o 1367.130 44.77257 48.00558       2.899655  48.51582       3.546308  46.97636       5.036670  1381.002 50.72224 1353.258 73.79422 27.74451       89.54514 
1 1 1 2   6  14 o 195.1406 53.14059 0.6445270      0.7460171 0.3721773      1.126115  0.8575330      0.9958993 187.2308 76.02405 203.0504 74.26999 -15.81961      106.2812 
1 1 1 2   6  15 o 495.7412 38.34470 6.254345       0.9387834 5.444265       1.242402  7.332393       1.433234  458.4091 54.60813 533.0733 53.84437 -74.66425      76.68940 
1 1 1 2   6  16 o 421.9081 56.79519 5.279310       1.085369  6.276151       1.338974  3.369332       1.853418  491.7421 54.71130 352.0740 99.54620 139.6681       113.5904 
1 1 1 2   6  17 o 1015.365 35.42072 26.55651       1.817225  27.09268       2.561215  26.01297       2.578764  1026.562 49.28075 1004.168 50.89122 22.39380       70.84143 
1 1 1 2   6  18 o 307.8474 62.03617 2.694871       1.015279  3.050073       1.273451  2.075227       1.681961  332.6742 77.11421 283.0206 97.19744 49.65366       124.0723 
1 1 1 2   6  19 o 332.0639 55.22960 3.524832       1.096693  -0.3803728E-05 1.836837  5.477385       1.367107  211.4010 91.94471 452.7268 61.21604 -241.3258      110.4592 
1 1 1 2   6  20 o 315.4453 62.41288 2.988768       1.051088  2.073490       1.770779  3.486676       1.306057  278.5357 99.41370 352.3550 75.48767 -73.81931      124.8258 
1 1 1 2   6  21 f 261.1849 67.31004 1.407789       1.056186  0.7918650      1.226106  3.179500       2.079509  201.9600 80.23730 320.4099 108.0951 -118.4498      134.6201 
1 1 1 2   6  22 o 432.4234 60.56816 5.599143       1.278638  5.424267       1.825841  5.767445       1.791191  423.8212 87.97353 441.0255 83.27464 -17.20435      121.1363 
1 1 1 2   6  23 o 407.5660 74.56039 5.582241       1.491670  5.600211       1.803020  5.543260       2.655472  426.9499 86.38055 388.1821 121.5541 38.76773       149.1208 
1 1 1 2   7  0  o 4172.630 138.5831 442.2084       29.27547  442.2084       29.27547  0.000000       0.000000  4172.630 138.5831 ?        ?        ?              ?        
1 1 1 2   7  1  o 1154.488 67.15215 33.88573       3.907983  33.88573       3.907983  0.000000       0.000000  1154.488 67.15215 ?        ?        ?              ?        
1 1 1 2   7  2  o 1427.161 71.09628 51.64040       5.136926  0.000000       0.000000  51.64040       5.136926  ?        ?        1427.161 71.09628 ?              ?        
1 1 1 2   7  3  o 3899.862 95.29028 398.0912       18.81390  399.6296       26.60754  396.5529       26.60621  3907.650 134.4948 3892.073 135.0263 15.57617       190.5806 
1 1 1 2   7  4  o ?        ?        256.5670       9.020979  260.8111       12.75878  252.3244       12.75640  ?        ?        ?        ?        ?              ?        
1 1 1 2   7  5  o ?        ?        43.72536       2.280570  45.01067       3.224319  42.43863       3.226106  ?        ?        ?        ?        ?              ?        
1 1 1 2   7  6  o 1025.959 39.20641 26.42834       1.910195  27.74158       3.357112  25.79961       2.322884  1043.205 63.87180 1008.713 45.48586 34.49255       78.41283 
1 1 1 2   7  7  o 2228.514 43.92139 126.0016       4.954899  123.8729       7.000256  128.1388       7.014337  2209.614 62.57687 2247.415 61.64811 -37.80054      87.84278 
1 1 1 2   7  8  o 1435.593 43.32722 52.21783       2.981807  52.68913       5.129281  51.97727       3.664651  1439.762 70.36912 1431.424 50.56857 8.338013       86.65444 
1 1 1 2   7  9  o 1139.996 34.02277 33.00981       1.963525  32.62701       2.775790  33.39319       2.777900  1133.360 48.37655 1146.633 47.85294 -13.27222      68.04553 
1 1 1 2   7  10 o 119.7411 36.12503 -0.8066209E-01 0.4007192 -0.4011545     0.5818959 0.2084142      0.5526404 105.9936 48.46112 133.4886 53.58722 -27.49499      72.25006 
1 1 1 2   7  11 o 2714.218 60.14372 184.5503       7.844878  199.8774       13.63872  176.9722       9.590096  2793.175 96.44769 2635.262 71.88123 157.9128       120.2874 
1 1 1 2   7  12 o 642.7590 33.78204 10.55174       1.091346  10.58719       1.535509  10.51556       1.551407  643.8959 47.43756 641.6221 48.11010 2.273804       67.56407 
1 1 1 2   7  13 o 1156.494 34.86730 34.03490       2.041388  34.25109       2.879566  33.81646       2.894408  1160.221 49.02332 1152.767 49.59464 7.454346       69.73460 
1 1 1 2   7  14 o 956.5690 34.63658 23.37712       1.671539  23.32895       2.343283  23.42702       2.385097  955.6334 48.59406 957.5046 49.36990 -1.871216      69.27316 
1 1 1 2   7  15 o 861.0745 35.38306 19.07430       1.528857  20.64555       2.133093  17.41449       2.192387  898.4043 47.06170 823.7446 52.84922 74.65967       70.76611 
1 1 1 2   7  16 o 1878.707 41.43588 90.88660       3.940237  92.95907       5.567758  88.80729       5.576925  1900.559 57.86492 1856.855 59.32436 43.70337       82.87177 
1 1 1 2   7  17 o 785.5365 37.15870 15.96417       1.463281  14.14579       2.027044  17.94286       2.114509  737.9697 54.64355 833.1033 50.37022 -95.13354      74.31741 
1 1 1 2   7  18 o 228.2645 58.22948 1.223363       0.8582522 1.244830       1.149456  1.196316       1.290204  226.8965 80.19022 229.6325 84.45245 -2.736038      116.4590 
1 1 1 2   7  19 o 402.3519 52.10206 4.485347       1.017843  5.058633       1.423759  3.886078       1.455667  431.9285 67.30179 372.7752 79.55482 59.15326       104.2041 
1 1 1 2   7  20 o 225.3705 58.31031 1.219778       0.8777704 0.8989677      1.261042  1.521309       1.222562  210.7726 82.08365 239.9683 82.84107 -29.19569      116.6206 
1 1 1 2   7  21 o 333.1414 69.16873 3.401400       1.208034  3.339820       1.493788  3.517799       2.053734  333.4503 87.41737 332.8324 107.2169 0.6179199      138.3375 
1 1 1 2   7  22 o 796.3749 41.49123 17.35417       1.659244  18.32937       2.360854  16.40229       2.332456  820.0153 57.22621 772.7346 60.09366 47.28064       82.98245 
1 1 1 2   7  23 o 296.0513 68.24042 2.813124       1.172129  3.419535       1.779105  2.348028       1.558078  319.9700 99.38051 272.1326 93.54427 47.83734       136.4808 
1 1 1 2   8  0  o 3194.108 112.8143 261.0226       18.24304  261.0226       18.24304  0.000000       0.000000  3194.108 112.8143 ?        ?        ?              ?        
1 1 1 2   8  1  o 2919.184 74.89658 218.9207       11.06454  211.7626       15.64122  226.0905       15.65402  2870.728 107.6205 2967.640 104.1912 -96.91284      149.7932 
1 1 1 2   8  2  o ?        ?        37.32561       4.158255  0.000000       0.000000  37.32561       4.158255  ?        ?        ?        ?        ?              ?        
1 1 1 2   8  3  f ?        ?        298.4808       14.52720  299.9909       20.54556  296.9710       20.54358  ?        ?        ?        ?        ?              ?        
1 1 1 2   8  4  o ?        ?        226.8336       9.149391  239.0722       15.89650  220.7711       11.18836  ?        ?        ?        ?        ?              ?        
1 1 1 2   8  5  f 2012.796 40.81898 102.9431       4.157535  106.5934       5.878482  99.28986       5.880804  2048.634 56.67836 1976.959 58.75644 71.67480       81.63795 
1 1 1 2   8  6  o 653.2075 40.21919 10.90909       1.218530  10.88972       2.176322  10.91794       1.470663  651.5919 66.92326 654.8231 44.62747 -3.231262      80.43839 
1 1 1 2   8  7  o 2102.824 61.28671 112.2109       6.524586  112.2109       6.524586  0.000000       0.000000  2102.824 61.28671 ?        ?        ?              ?        
1 1 1 2   8  8  o 873.4097 40.12507 19.80379       1.667853  18.37280       2.808248  20.58361       2.073078  847.3018 65.98604 899.5175 45.67196 -52.21576      80.25014 
1 1 1 2   8  9  o 1796.499 39.73306 82.13102       3.613653  81.16422       5.100640  83.10532       5.120371  1785.846 56.41531 1807.152 55.96586 -21.30518      79.46613 
1 1 1 2   8  10 o 1555.328 37.21027 61.48192       2.929750  62.27262       4.137014  60.68640       4.149600  1565.410 52.20058 1545.246 53.04260 20.16333       74.42055 
1 1 1 2   8  11 o 1657.460 46.28045 69.39063       3.664911  71.61327       6.380611  68.29631       4.477118  1675.580 75.21656 1639.340 53.94432 36.23987       92.56091 
1 1 1 2   8  12 o 631.5709 47.22582 10.19217       1.499101  10.19217       1.499101  0.000000       0.000000  631.5709 47.22582 ?        ?        ?              ?        
1 1 1 2   8  13 o 1595.030 46.86193 65.41083       3.572337  64.08189       6.131763  66.09365       4.395303  1579.865 76.66230 1610.196 53.91711 -30.33069      93.72386 
1 1 1 2   8  14 o 365.4311 45.24918 3.543896       0.7987030 2.759505       1.119010  4.358512       1.140366  321.6489 70.64984 409.2133 56.55576 -87.56445      90.49836 
1 1 1 2   8  15 o 1609.857 38.87869 66.38116       3.168517  67.25371       4.482753  65.51002       4.479169  1620.547 54.63860 1599.168 55.32479 21.37915       77.75738 
1 1 1 2   8  16 o 331.9145 63.17859 3.001123       1.047618  2.950182       1.808714  3.026841       1.285135  329.9620 99.78420 333.8670 77.51936 -3.905029      126.3572 
1 1 1 2   8  17 o 492.0269 43.57277 6.383757       1.060391  6.162590       1.457549  6.632438       1.545557  483.0831 60.95283 500.9706 62.28240 -17.88748      87.14554 
1 1 1 2   8  18 o 322.2693 75.54678 2.876590       1.211148  0.000000       0.000000  2.876590       1.211148  ?        ?        322.2693 75.54678 ?              ?        
1 1 1 2   8  19 o 911.0835 37.78063 21.73912       1.732553  20.78373       2.374253  22.82734       2.533935  889.9590 52.93425 932.2079 53.92094 -42.24896      75.56126 
1 1 1 2   8  20 o 309.9017 57.40617 2.776550       0.9158416 2.435818       1.298402  3.113935       1.292013  290.3384 83.72281 329.4650 78.56440 -39.12653      114.8123 
1 1 1 2   8  21 o 209.5179 58.37494 0.7392884      0.9183785 0.1332689      1.179235  1.673408       1.464058  172.0861 74.25578 246.9497 90.09225 -74.86362      116.7499 
1 1 1 2   8  22 f 283.1205 68.46336 2.502608       1.175728  2.654144       1.501467  2.262403       1.890376  292.0807 91.39259 274.1603 101.9623 17.92041       136.9267 
1 1 1 2   8  23 o 260.2422 67.40010 2.146265       1.244570  0.8240286      2.062686  2.903212       1.560671  223.6980 97.36349 296.7865 93.22793 -73.08850      134.8002 
1 1 1 2   9  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2   9  1  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2   9  2  o ?        ?        42.92088       3.224912  44.59408       4.573437  41.26617       4.548098  ?        ?        ?        ?        ?              ?        
1 1 1 2   9  3  o 2717.866 143.5303 416.1772       19.60628  414.6964       27.72711  417.6582       27.72783  2707.086 203.8060 2728.645 202.1556 -21.55859      287.0605 
1 1 1 2   9  4  o 2040.004 49.77056 105.0298       4.851182  108.5590       8.448489  103.2938       5.925397  2063.624 80.86579 2016.383 58.04445 47.24060       99.54111 
1 1 1 2   9  5  o 1895.229 40.43706 91.12914       3.878840  88.44644       5.476029  93.83048       5.495035  1867.180 57.92900 1923.278 56.43450 -56.09888      80.87411 
1 1 1 2   9  6  o 641.6367 40.69869 10.49539       1.210416  10.61042       2.168522  10.44333       1.458820  642.9777 67.63068 640.2957 45.29486 2.682068       81.39738 
1 1 1 2   9  7  o 1580.623 52.06682 63.40334       4.166517  63.40334       4.166517  0.000000       0.000000  1580.623 52.06682 ?        ?        ?              ?        
1 1 1 2   9  8  o 2683.331 61.10653 184.1611       7.838181  184.9923       13.53397  183.7416       9.614782  2682.840 99.64301 2683.822 70.76231 -0.9824219     122.2131 
1 1 1 2   9  9  o 1417.920 35.49936 51.11577       2.548015  51.68179       3.589175  50.54067       3.617869  1425.892 49.71924 1409.948 50.68346 15.94421       70.99871 
1 1 1 2   9  10 o 1859.359 39.97737 87.91287       3.761968  90.69592       5.327747  85.14548       5.312737  1888.829 55.71439 1829.889 57.34690 58.93994       79.95473 
1 1 1 2   9  11 o 1681.301 45.92762 70.40125       3.707259  77.00401       6.473118  67.17841       4.522406  1737.173 73.60152 1625.429 54.95634 111.7437       91.85523 
1 1 1 2   9  12 o 1881.389 57.37959 90.20243       5.465371  90.20243       5.465371  0.000000       0.000000  1881.389 57.37959 ?        ?        ?              ?        
1 1 1 2   9  13 o 1005.992 41.68779 25.69003       2.019544  26.81503       3.431639  25.09395       2.497914  1020.935 66.76028 991.0500 49.94551 29.88458       83.37559 
1 1 1 2   9  14 o 906.1169 34.52308 21.01736       1.577122  20.60425       2.249756  21.41654       2.211511  897.1522 49.72649 915.0817 47.90249 -17.92950      69.04616 
1 1 1 2   9  15 o 740.1406 36.54677 14.10771       1.357294  15.34552       1.931915  12.90121       1.907329  772.8412 49.63834 707.4400 53.65353 65.40125       73.09354 
1 1 1 2   9  16 o 536.1685 49.56232 7.668426       1.238387  7.441902       2.103651  7.788559       1.531969  525.7911 81.67773 546.5459 56.16445 -20.75482      99.12465 
1 1 1 2   9  17 o 391.7350 73.04817 4.173460       1.395429  4.173460       1.395429  0.000000       0.000000  391.7350 73.04817 ?        ?        ?              ?        
1 1 1 2   9  18 o 464.8895 59.29250 5.910387       1.252363  6.290707       2.255629  5.740901       1.505777  468.2036 98.29000 461.5754 66.34365 6.628204       118.5850 
1 1 1 2   9  19 o 545.0063 43.88670 7.970755       1.185911  8.073409       1.747215  7.883065       1.614858  547.1703 64.29841 542.8425 59.74849 4.327820       87.77339 
1 1 1 2   9  20 o 736.2015 40.87917 14.52383       1.504280  12.78525       2.067835  16.47812       2.192369  687.6895 59.99446 784.7136 55.54359 -97.02405      81.75834 
1 1 1 2   9  21 o 736.8981 53.86417 15.54775       1.855293  15.59363       3.190576  15.52431       2.280484  721.9612 89.18753 751.8350 60.42332 -29.87378      107.7283 
1 1 1 2   9  22 o 390.9948 66.37408 4.992856       1.276362  5.382663       1.595345  4.299604       2.127526  427.1022 76.59404 354.8874 108.4224 72.21484       132.7482 
1 1 1 2   10 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 2   10 1  o 2850.402 106.6510 214.0864       15.39058  0.000000       0.000000  214.0864       15.39058  ?        ?        2850.402 106.6510 ?              ?        
1 1 1 2   10 2  f 2680.760 100.1933 184.6952       13.59816  0.000000       0.000000  184.6952       13.59816  ?        ?        2680.760 100.1933 ?              ?        
1 1 1 2   10 3  o 681.8259 45.68600 11.91884       1.557837  12.16492       2.200138  11.67142       2.206104  689.0569 63.79208 674.5950 65.41722 14.46185       91.37200 
1 1 1 2   10 4  o 1847.240 56.65800 86.78916       5.294080  91.05959       7.493752  82.53417       7.480185  1892.814 78.20019 1801.667 82.00761 91.14685       113.3160 
1 1 1 2   10 5  o 1520.839 35.93474 58.64724       2.766647  57.79770       3.907586  59.50117       3.917692  1509.780 51.12239 1531.898 50.51459 -22.11780      71.86948 
1 1 1 2   10 6  o 1353.676 49.85353 46.70800       3.403634  46.77955       4.878549  46.64014       4.750918  1354.568 71.39082 1352.783 69.60496 1.785889       99.70706 
1 1 1 2   10 7  o 1509.964 43.60331 57.28909       3.144779  55.86710       3.832592  60.21941       5.501757  1482.903 51.05008 1537.026 70.70278 -54.12354      87.20661 
1 1 1 2   10 8  o 863.4730 31.64362 18.99077       1.378163  18.94901       1.924711  19.03471       1.974268  862.5590 44.22378 864.3870 45.27177 -1.827942      63.28725 
1 1 1 2   10 9  o 1176.199 33.85556 35.13597       2.015615  34.88177       2.818343  35.40212       2.883805  1171.876 47.50381 1180.521 48.25125 -8.644653      67.71111 
1 1 1 2   10 10 o 1009.418 33.35845 25.85232       1.704010  24.94687       2.371372  26.81898       2.450230  991.1541 47.25794 1027.683 47.09385 -36.52850      66.71690 
1 1 1 2   10 11 o 827.5627 42.79656 17.87767       1.639040  16.63910       2.899669  18.45921       1.986909  804.0098 71.99908 851.1156 46.28514 -47.10583      85.59312 
1 1 1 2   10 12 o 625.9359 50.48358 10.04214       1.586186  10.04214       1.586186  0.000000       0.000000  625.9359 50.48358 ?        ?        ?              ?        
1 1 1 2   10 13 o 424.7761 52.02953 4.831921       0.9995098 4.575246       1.777139  4.950679       1.208820  412.8605 87.72837 436.6916 55.96446 -23.83105      104.0591 
1 1 1 2   10 14 o 1531.290 38.13900 60.00709       2.956713  60.11467       4.179280  59.89929       4.183569  1532.687 53.85975 1529.892 54.01353 2.795410       76.27801 
1 1 1 2   10 15 o 840.6453 35.18008 18.18432       1.489811  18.80647       2.106268  17.56141       2.107553  855.3295 48.84292 825.9611 50.64505 29.36841       70.36016 
1 1 1 2   10 16 o 920.3948 44.70069 21.81973       1.953044  23.19148       3.414018  21.15242       2.381158  936.9896 72.53443 903.8000 52.26244 33.18958       89.40137 
1 1 1 2   10 17 o 441.7998 64.42623 5.226109       1.398626  5.226109       1.398626  0.000000       0.000000  441.7998 64.42623 ?        ?        ?              ?        
1 1 1 2   10 18 o 601.4196 51.36897 9.619477       1.428008  10.40269       2.549162  9.261297       1.723886  612.0225 84.52698 590.8166 58.39756 21.20587       102.7379 
1 1 1 2   10 19 o 543.0728 44.23569 7.980520       1.190132  8.533342       1.674356  7.415996       1.691984  563.8807 59.55215 522.2649 65.42727 41.61578       88.47139 
1 1 1 2   10 20 o 293.7123 63.18357 2.556561       1.022264  2.243923       1.378441  2.938649       1.523872  275.8606 87.73112 311.5641 90.95001 -35.70343      126.3671 
1 1 1 2   10 21 o 360.5870 70.95718 4.252449       1.300921  4.013524       2.337220  4.359699       1.565915  341.4269 114.6004 379.7471 83.70438 -38.32016      141.9144 
1 1 1 2   10 22 o 386.0353 84.41729 4.601259       1.603873  4.601259       1.603873  0.000000       0.000000  386.0353 84.41729 ?        ?        ?              ?        
1 1 1 2   11 0  o 1190.995 68.18272 36.16712       4.094112  0.000000       0.000000  36.16712       4.094112  ?        ?        1190.995 68.18272 ?              ?        
1 1 1 2   11 1  o 430.2997 50.15493 4.843726       1.038830  6.150813       1.506586  3.659009       1.434330  488.2569 62.37370 372.3424 78.55947 115.9145       100.3099 
1 1 1 2   11 2  o 3022.688 108.3458 233.1874       16.58017  233.1874       16.58017  0.000000       0.000000  3022.688 108.3458 ?        ?        ?              ?        
1 1 1 2   11 3  o 881.7465 65.35546 19.84367       2.896720  19.84367       2.896720  0.000000       0.000000  881.7465 65.35546 ?        ?        ?              ?        
1 1 1 2   11 4  o 1502.798 73.37962 57.37812       5.582899  0.000000       0.000000  57.37812       5.582899  ?        ?        1502.798 73.37962 ?              ?        
1 1 1 2   11 5  o 3158.565 67.86871 255.5777       10.22626  251.7462       17.64796  257.5145       12.54753  3136.265 111.1471 3180.865 77.91645 -44.60059      135.7374 
1 1 1 2   11 6  o 2813.466 74.27359 203.5147       10.56918  194.4292       15.00422  212.4631       14.89058  2750.003 107.7697 2876.929 102.2348 -126.9258      148.5472 
1 1 1 2   11 7  o 905.5793 47.26283 21.12414       2.141291  22.27352       2.947304  19.83923       3.116237  932.6199 62.78731 878.5388 70.66014 54.08112       94.52567 
1 1 1 2   11 8  o 464.9939 43.60311 5.279307       0.9211621 4.828798       1.086297  6.432465       1.737967  432.9214 50.51255 497.0663 71.08731 -64.14496      87.20621 
1 1 1 2   11 9  o 416.6706 35.68580 4.477619       0.7349210 4.508703       1.002249  4.441468       1.080868  418.5888 48.17237 414.7523 52.66241 3.836487       71.37160 
1 1 1 2   11 10 o 353.8075 39.19851 3.239508       0.6763989 3.041329       0.9084805 3.486014       1.013211  341.6591 54.34159 365.9559 56.50738 -24.29684      78.39702 
1 1 1 2   11 11 o 569.7361 47.01308 8.515289       1.232278  8.088476       2.155694  8.722456       1.501853  556.3288 78.73585 583.1433 51.39634 -26.81451      94.02615 
1 1 1 2   11 12 o 1390.578 44.87008 49.45560       2.947616  49.24400       3.582180  49.89930       5.187172  1389.691 50.91495 1391.464 73.89833 -1.773071      89.74016 
1 1 1 2   11 13 f 870.0431 34.88134 19.38475       1.529835  18.99735       2.167407  19.76938       2.159642  861.2336 49.92325 878.8526 48.72885 -17.61902      69.76268 
1 1 1 2   11 14 o 1038.501 35.48154 27.66248       1.856157  30.35739       2.642823  25.03905       2.607537  1089.663 47.90626 987.3392 52.35218 102.3240       70.96309 
1 1 1 2   11 15 o 257.9071 54.70208 1.688335       0.7988922 2.469339       1.179202  1.025745       1.086136  301.2568 77.01838 214.5573 77.70097 86.69948       109.4042 
1 1 1 2   11 16 o 461.1120 57.49199 5.806389       1.198049  5.809785       2.153074  5.804866       1.441886  454.5622 96.54002 467.6618 62.46072 -13.09958      114.9840 
1 1 1 2   11 17 o 593.6163 49.89482 9.454758       1.372963  9.393422       1.674134  9.580746       2.399383  597.1011 56.03627 590.1317 82.57063 6.969421       99.78964 
1 1 1 2   11 18 f 573.5899 43.70607 8.830852       1.232545  10.46510       1.771612  7.297795       1.715888  628.2731 56.29457 518.9067 66.87155 109.3663       87.41215 
1 1 1 2   11 19 o 221.6183 58.34972 1.166244       0.8849095 1.445834       1.219078  0.8548490      1.286548  234.5133 82.61518 208.7234 82.42262 25.78995       116.6994 
1 1 1 2   11 20 o 629.1302 43.31265 10.85226       1.354816  10.48431       1.813587  11.31689       2.037984  619.1771 58.54973 639.0833 63.84256 -19.90613      86.62531 
1 1 1 2   11 21 o 573.8049 55.50553 9.470272       1.518482  10.65230       2.530186  8.804873       1.898364  592.5748 86.92233 555.0350 69.05043 37.53973       111.0111 
1 1 1 2   11 22 o 217.6913 65.78443 0.8593898      1.105841  0.7656924      1.248530  1.200461       2.382089  194.5469 79.64166 240.8356 104.7262 -46.28871      131.5689 
1 1 1 2   12 0  o 960.9287 44.76504 23.40594       2.177779  23.40594       2.177779  0.000000       0.000000  960.9287 44.76504 ?        ?        ?              ?        
1 1 1 2   12 1  o 1028.092 47.22661 26.95465       2.442783  25.61351       3.439622  28.31943       3.469809  1002.018 68.20927 1054.166 65.33686 -52.14728      94.45322 
1 1 1 2   12 2  o 648.0359 46.73159 10.77246       1.504235  12.10301       2.161103  9.521995       2.095054  687.6730 62.76574 608.3988 69.25191 79.27423       93.46317 
1 1 1 2   12 3  o 287.2067 55.16139 2.162065       0.8261985 1.889020       1.160917  2.442285       1.176072  270.3811 79.51367 304.0322 76.47673 -33.65109      110.3228 
1 1 1 2   12 4  o 2359.133 65.10361 142.1278       7.775620  141.3025       10.99839  142.9525       10.99439  2352.222 92.35644 2366.044 91.78347 -13.82251      130.2072 
1 1 1 2   12 5  o 2189.989 49.73204 121.8445       5.513937  121.8445       5.513937  0.000000       0.000000  2189.989 49.73204 ?        ?        ?              ?        
1 1 1 2   12 6  o 2267.577 61.42077 132.1600       7.024387  146.7187       10.01177  118.0452       9.857983  2392.214 82.66607 2142.939 90.86455 249.2742       122.8415 
1 1 1 2   12 7  o 1958.149 59.77890 98.48091       5.917881  102.5551       8.279460  94.22530       8.461817  2000.444 81.75081 1915.855 87.24033 84.58826       119.5578 
1 1 1 2   12 8  o 1278.405 41.69284 41.40400       2.507694  40.97684       3.031038  42.33071       4.464444  1270.135 47.13655 1286.674 68.78456 -16.53918      83.38567 
1 1 1 2   12 9  o 1291.572 35.20993 42.36218       2.296776  38.45763       3.199305  46.51454       3.299265  1230.041 51.37506 1353.103 48.16180 -123.0621      70.41986 
1 1 1 2   12 10 o 257.3105 46.33024 1.870050       0.6386364 2.513429       0.8161988 0.8542469      1.025574  309.8139 53.99996 204.8070 75.29919 105.0069       92.66048 
1 1 1 2   12 11 o 1128.195 41.88132 32.59530       2.259337  32.64798       2.784559  32.49379       3.865297  1132.195 48.57933 1124.195 68.23656 7.999756       83.76263 
1 1 1 2   12 12 o 988.0248 47.71675 25.11054       2.368444  23.34456       3.253725  27.10089       3.454232  950.8712 68.03850 1025.178 66.92021 -74.30725      95.43349 
1 1 1 2   12 13 o 1444.598 37.49521 53.40996       2.742218  53.18171       3.880440  53.63765       3.875727  1441.471 53.17302 1447.725 52.87904 -6.253540      74.99043 
1 1 1 2   12 14 o 632.8994 37.27072 10.34414       1.182545  10.09661       1.635884  10.61506       1.711414  625.0568 52.17193 640.7419 53.24017 -15.68518      74.54144 
1 1 1 2   12 15 o 443.1021 43.84023 5.196539       0.9561974 5.020124       1.340692  5.379180       1.364148  435.1136 62.66917 451.0906 61.32240 -15.97696      87.68045 
1 1 1 2   12 16 o 468.5308 46.60664 5.890583       1.069868  6.517598       1.521253  5.276958       1.504922  495.0704 62.05835 441.9911 69.55196 53.07928       93.21327 
1 1 1 2   12 17 o 562.2306 63.03237 8.878444       1.705509  11.16485       2.486486  6.847012       2.343746  637.7623 78.67737 486.6989 98.49969 151.0634       126.0647 
1 1 1 2   12 18 o 688.2920 39.06057 12.56979       1.348641  13.22838       1.929467  11.94067       1.885815  706.5077 54.36050 670.0762 56.10568 36.43146       78.12113 
1 1 1 2   12 19 o 344.1899 61.21960 3.527388       1.068759  3.872130       1.514208  3.185142       1.508715  362.4192 84.14251 325.9607 88.94604 36.45850       122.4392 
1 1 1 2   12 20 o 249.8866 56.82076 1.505422       0.9216281 0.2169468      1.220534  3.214653       1.405764  175.8500 75.71313 323.9232 84.74618 -148.0732      113.6415 
1 1 1 2   12 21 o 179.6280 57.46949 -0.3828769     1.143019  -1.137873      1.629883  0.3477721      1.603388  162.4329 76.53576 196.8232 85.75108 -34.39029      114.9390 
1 1 1 2   12 22 o 262.9681 70.73535 1.752396       1.574629  -1.217822      2.322074  4.280927       2.142476  188.2225 89.47310 337.7137 109.5834 -149.4912      141.4707 
1 1 1 2   13 0  o 1335.729 35.28117 45.27269       2.385677  44.69128       3.377216  45.85180       3.370509  1327.145 50.26395 1344.313 49.52351 -17.16760      70.56233 
1 1 1 2   13 1  o 2217.974 62.71209 125.5056       7.041588  126.9373       9.960060  124.0748       9.956561  2230.717 88.19293 2205.230 89.18088 25.48682       125.4242 
1 1 1 2   13 2  o 268.1176 58.51160 1.809299       0.8860755 2.243410       1.256292  1.379573       1.249932  292.4822 81.69752 243.7530 83.78513 48.72917       117.0232 
1 1 1 2   13 3  o 919.3502 36.43436 21.18847       1.583707  22.45306       2.811536  20.60074       1.916717  937.6684 59.53442 901.0321 42.01788 36.63629       72.86871 
1 1 1 2   13 4  o 1065.490 45.17436 30.26432       2.214558  25.76824       3.874963  32.44510       2.698709  1000.995 77.05540 1129.985 47.17369 -128.9904      90.34872 
1 1 1 2   13 5  f 2192.105 50.20121 122.2515       5.571334  122.2515       5.571334  0.000000       0.000000  2192.105 50.20121 ?        ?        ?              ?        
1 1 1 2   13 6  o 1359.724 35.24344 47.06114       2.424118  48.28670       3.390298  45.77917       3.467445  1378.010 48.59614 1341.438 51.05698 36.57202       70.48688 
1 1 1 2   13 7  f 1261.606 45.57772 41.03736       2.684459  41.72578       3.248937  39.55615       4.765656  1281.271 50.08603 1241.940 76.16237 39.33069       91.15545 
1 1 1 2   13 8  o 1096.395 41.04478 29.92642       2.165626  28.38681       2.654309  32.99197       3.745421  1056.885 49.60664 1135.905 65.40547 -79.01965      82.08955 
1 1 1 2   13 9  o 1150.652 42.16761 34.12859       2.330765  32.67968       3.908220  34.92836       2.903635  1129.247 68.68698 1172.056 48.93391 -42.80872      84.33522 
1 1 1 2   13 10 o 1225.716 42.68784 39.03743       2.505947  36.43760       4.198779  40.47587       3.123184  1190.634 69.96383 1260.798 48.92924 -70.16345      85.37569 
1 1 1 2   13 11 f 640.7042 39.51690 9.892866       1.210079  8.492272       1.466764  12.87768       2.141226  574.6783 50.94208 706.7302 60.42555 -132.0518      79.03381 
1 1 1 2   13 12 o 743.3846 41.65834 14.12188       1.514638  14.83518       2.458968  13.68578       1.922683  757.0176 64.78389 729.7517 52.39005 27.26587       83.31669 
1 1 1 2   13 13 o 411.9908 44.53080 4.427965       0.8880702 5.518679       1.321876  3.530684       1.198946  459.8510 58.07415 364.1306 67.52304 95.72040       89.06159 
1 1 1 2   13 14 o 413.5060 46.54071 4.551219       0.9408640 4.690825       1.318387  4.406325       1.343123  420.6473 63.91883 406.3647 67.66487 14.28256       93.08143 
1 1 1 2   13 15 o 905.2081 36.17533 21.26735       1.650461  22.06815       2.348812  20.48630       2.319668  922.3806 50.49007 888.0356 51.82056 34.34503       72.35066 
1 1 1 2   13 16 o 276.2392 55.93576 1.237329       0.9201640 -0.1162763     1.105485  4.290377       1.660250  162.7621 71.04893 389.7163 86.41347 -226.9542      111.8715 
1 1 1 2   13 17 o 396.6077 63.22074 4.478643       1.188523  4.706013       2.044568  4.362597       1.460669  398.0396 101.2270 395.1757 75.76634 2.863953       126.4415 
1 1 1 2   13 18 o 435.2607 53.18008 5.404462       1.115512  6.007583       1.515484  4.691278       1.647974  467.6307 65.83510 402.8907 83.53576 64.74005       106.3602 
1 1 1 2   13 19 o 360.2678 62.28675 3.942440       1.152496  2.815027       1.595910  5.171211       1.666106  301.8383 94.18674 418.6972 81.53168 -116.8589      124.5735 
1 1 1 2   13 20 o 266.5658 65.82962 2.202338       1.094117  2.298028       1.498437  2.093058       1.601311  271.3070 91.75703 261.8246 94.41822 9.482422       131.6592 
1 1 1 2   13 21 o 432.8569 65.60755 6.130551       1.341573  6.330217       1.663356  5.758900       2.269343  461.7117 73.63264 404.0020 108.6077 57.70975       131.2151 
1 1 1 2   14 0  f 1427.609 35.67080 51.81070       2.577973  52.49228       3.646609  51.12973       3.645002  1437.033 50.12319 1418.184 50.76701 18.84949       71.34160 
1 1 1 2   14 1  f 1425.437 44.17649 51.65127       2.990958  52.41491       5.221669  51.27837       3.648859  1430.746 72.32270 1420.129 50.75111 10.61646       88.35297 
1 1 1 2   14 2  o 1124.941 39.27000 31.48435       2.098927  34.56578       3.726276  30.05232       2.540250  1162.460 63.55676 1087.421 46.14183 75.03882       78.53999 
1 1 1 2   14 3  o 1975.522 53.84821 101.1688       5.027409  96.50164       8.755029  103.4649       6.140771  1936.780 89.28809 2014.263 60.21755 -77.48267      107.6964 
1 1 1 2   14 4  o 1303.758 37.98309 41.95835       2.362589  47.23559       4.203306  39.52108       2.856530  1360.699 61.01624 1246.818 45.25349 113.8806       75.96617 
1 1 1 2   14 5  o 1299.837 39.52563 41.35387       2.304670  39.54942       2.668249  46.65480       4.573305  1247.827 42.23653 1351.846 66.82198 -104.0183      79.05126 
1 1 1 2   14 6  o 1169.747 43.67558 35.29300       2.358081  35.85818       2.828902  34.00611       4.268656  1187.978 47.03550 1151.515 73.60631 36.46350       87.35117 
1 1 1 2   14 7  o 1601.925 33.86917 64.28452       2.696077  60.69311       3.453797  69.88667       4.313617  1545.924 44.12910 1657.926 51.39169 -112.0018      67.73834 
1 1 1 2   14 8  o 1105.848 34.23191 31.09105       1.915980  31.04850       2.677576  31.13570       2.742810  1105.127 47.85703 1106.568 48.95917 -1.440674      68.46383 
1 1 1 2   14 9  o 1092.129 33.95002 30.34735       1.876745  29.65470       2.622813  31.07410       2.686573  1079.366 47.99708 1104.892 48.02808 -25.52563      67.90004 
1 1 1 2   14 10 o 338.9321 60.41280 3.088198       1.036815  2.956187       1.477586  3.216244       1.455225  331.8801 86.91127 345.9842 83.93604 -14.10413      120.8256 
1 1 1 2   14 11 o 1320.500 43.63234 44.71383       2.746500  44.50713       3.367097  45.12478       4.747689  1319.870 50.38958 1321.130 71.24616 -1.260254      87.26469 
1 1 1 2   14 12 o 283.7072 55.00116 2.134153       0.8138185 1.848072       1.100809  2.478972       1.208547  264.1707 77.35406 303.2437 78.21034 -39.07303      110.0023 
1 1 1 2   14 13 o 565.0632 45.02449 8.462955       1.234975  7.845137       1.915997  8.902062       1.615288  544.6464 71.18932 585.4801 55.14437 -40.83368      90.04899 
1 1 1 2   14 14 o 354.7755 50.23707 3.407504       0.8700278 3.654703       1.267948  3.187559       1.196011  367.2616 70.75972 342.2893 71.33103 24.97229       100.4741 
1 1 1 2   14 15 o 487.4806 44.60216 6.417746       1.052673  7.639157       1.479076  5.164001       1.498525  538.6651 55.00788 436.2961 70.22495 102.3690       89.20432 
1 1 1 2   14 16 o 407.1500 62.00846 4.846804       1.191067  5.135557       1.471826  4.298892       2.027445  433.2697 69.44435 381.0304 102.7506 52.23923       124.0169 
1 1 1 2   14 17 o 1196.064 46.18347 37.56166       2.675763  42.10743       4.560099  35.17466       3.304439  1240.309 72.94181 1151.819 56.66695 88.49060       92.36694 
1 1 1 2   14 18 o 390.2559 58.01666 4.450715       1.110137  4.121936       1.554893  4.792562       1.585497  373.8575 84.17764 406.6543 79.86149 -32.79678      116.0333 
1 1 1 2   14 19 o 355.0951 55.80886 3.991343       1.163853  6.982382       1.610434  0.7212000      1.683895  496.8805 65.62450 213.3098 90.28809 283.5707       111.6177 
1 1 1 2   14 20 o 291.4222 66.05828 2.751515       1.094971  2.631186       1.444341  2.914133       1.679079  286.3434 89.64362 296.5009 97.05053 -10.15747      132.1166 
1 1 1 2   14 21 o 310.6895 72.25360 3.542547       1.313101  3.776755       1.539832  2.918247       2.514027  338.5001 88.76078 282.8788 114.0344 55.62128       144.5072 
1 1 1 2   15 0  o 264.6498 41.03648 1.874951       0.5369878 1.468915       0.7705978 2.258244       0.7487062 235.8327 63.24195 293.4670 52.31086 -57.63438      82.07295 
1 1 1 2   15 1  o 1148.499 34.08965 33.56214       1.982087  33.28670       2.805039  33.83682       2.801154  1143.764 48.44164 1153.234 47.97733 -9.469360      68.17930 
1 1 1 2   15 2  o 991.3417 41.93364 25.43323       1.946714  24.28093       3.418294  25.98635       2.368288  971.8221 69.94440 1010.861 46.27637 -39.03912      83.86729 
1 1 1 2   15 3  o 1381.735 43.81438 48.60405       2.865620  49.23859       5.032102  48.29951       3.486099  1385.627 71.98097 1377.843 49.97538 7.783813       87.62876 
1 1 1 2   15 4  o 3060.267 80.01000 242.8475       12.38543  233.2937       17.60723  252.2050       17.42547  2998.862 115.9714 3121.671 110.2589 -122.8093      160.0200 
1 1 1 2   15 5  o 2249.590 57.61214 131.0132       6.129404  125.4701       10.67182  133.7419       7.487603  2208.911 95.42821 2290.269 64.57623 -81.35791      115.2243 
1 1 1 2   15 6  o 1257.581 41.82495 39.31086       2.469679  37.65424       2.958503  43.11886       4.485480  1217.159 48.01105 1298.002 68.49998 -80.84351      83.64991 
1 1 1 2   15 7  o 2090.607 47.49222 108.3962       4.358977  105.2826       5.005126  118.1737       8.869529  2034.654 48.58932 2146.561 81.61569 -111.9072      94.98444 
1 1 1 2   15 8  o 1404.502 33.46658 50.51973       2.312363  51.57377       2.958325  48.86436       3.707359  1424.412 41.02294 1384.592 52.88824 39.81921       66.93315 
1 1 1 2   15 9  o 1497.888 36.88896 57.33567       2.794226  59.75268       3.922080  54.84443       3.981863  1530.345 50.62249 1465.431 53.67070 64.91382       73.77792 
1 1 1 2   15 10 o 591.2924 42.71534 9.082797       1.187252  9.134292       1.459709  8.982150       2.040733  596.1480 48.79218 586.4368 70.12649 9.711182       85.43068 
1 1 1 2   15 11 o 625.9290 44.06420 10.52479       1.317303  8.604300       2.049140  11.87747       1.719746  572.3762 72.32866 679.4818 50.35058 -107.1055      88.12840 
1 1 1 2   15 12 o 1411.485 47.81755 53.04100       3.169984  47.96391       5.453789  55.63144       3.895625  1351.286 80.07703 1471.685 52.28519 -120.3987      95.63510 
1 1 1 2   15 13 o 1431.623 45.05516 52.38533       3.096092  50.28768       3.783903  56.63448       5.385489  1395.070 53.57479 1468.176 72.45419 -73.10596      90.11031 
1 1 1 2   15 14 o 678.6438 42.97829 11.58938       1.385569  10.48902       1.677894  13.94829       2.456706  633.3636 52.80869 723.9240 67.82166 -90.56036      85.95659 
1 1 1 2   15 15 o 609.7534 46.90357 9.641118       1.390740  11.66776       2.290528  8.457717       1.750301  657.2398 69.91128 562.2670 62.54753 94.97278       93.80714 
1 1 1 2   15 16 o 484.8105 61.22392 6.880126       1.342769  6.189384       2.347006  7.216236       1.637183  453.6885 104.3559 515.9325 64.05717 -62.24402      122.4478 
1 1 1 2   15 17 o 249.6574 62.34474 1.651555       1.057221  0.4524583      1.692507  2.418787       1.353838  211.7344 90.10718 287.5803 86.18680 -75.84590      124.6895 
1 1 1 2   15 18 o 315.8651 63.38224 3.080086       1.061260  3.188478       1.467769  2.961340       1.536271  322.6320 87.60331 309.0983 91.62366 13.53375       126.7645 
1 1 1 2   15 19 o 329.5217 64.23016 3.486156       1.134504  2.584866       1.577245  4.452381       1.633073  282.8583 94.13316 376.1850 87.41283 -93.32666      128.4603 
1 1 1 2   15 20 o 291.7363 64.38742 2.784481       1.066746  2.251600       1.471832  3.374158       1.548282  263.9452 90.90761 319.5274 91.20728 -55.58215      128.7748 
1 1 1 2   15 21 o 272.7819 67.42223 2.559435       1.141847  2.015927       1.495028  3.320348       1.768944  245.6228 90.80871 299.9409 99.68354 -54.31802      134.8445 
1 1 1 2   16 0  o 2496.584 47.81358 159.1866       6.042925  161.4880       8.547074  156.8863       8.544898  2514.784 67.13254 2478.383 68.10121 36.40137       95.62715 
1 1 1 2   16 1  o 1534.028 37.50716 59.89615       2.912595  60.86265       4.114980  58.92583       4.123096  1546.505 52.55726 1521.550 53.52460 24.95483       75.01432 
1 1 1 2   16 2  o 1282.537 35.14580 41.83922       2.281301  43.09461       3.227151  40.58523       3.225344  1301.859 48.96344 1263.215 50.43303 38.64343       70.29160 
1 1 1 2   16 3  o 402.2021 51.98001 4.845356       0.9095513 2.913596       1.625054  5.726580       1.097575  331.9597 92.98575 472.4445 46.49018 -140.4848      103.9600 
1 1 1 2   16 4  o 578.7910 38.13469 9.043059       1.033088  10.30859       1.320313  7.044905       1.659033  635.8354 41.23805 521.7465 64.15948 114.0889       76.26937 
1 1 1 2   16 5  o 1651.188 44.61407 68.20634       3.561736  74.00682       6.114900  65.22793       4.381769  1701.629 70.98078 1600.746 54.06839 100.8831       89.22815 
1 1 1 2   16 6  o 1116.969 40.94606 32.14504       1.925774  32.37119       2.193141  31.38347       4.024632  1129.037 38.36848 1104.900 72.34763 24.13745       81.89212 
1 1 1 2   16 7  o 2091.223 53.27451 112.3939       5.282117  112.4480       6.433859  112.2820       9.251514  2097.472 60.58873 2084.974 87.64530 12.49805       106.5490 
1 1 1 2   16 8  o 1173.653 42.29528 35.32779       2.091383  35.31954       2.378217  35.35594       4.392744  1178.197 39.87035 1169.109 74.60509 9.087280       84.59057 
1 1 1 2   16 9  o 577.0286 33.78130 8.417824       0.9405591 8.065183       1.168565  9.066544       1.584947  561.1208 41.42810 592.9363 53.37058 -31.81549      67.56261 
1 1 1 2   16 10 o 877.3608 40.83467 19.62132       1.705477  19.15579       2.085981  20.55990       2.961921  864.3018 47.85835 890.4199 66.17749 -26.11810      81.66934 
1 1 1 2   16 11 o 1054.687 42.39869 28.71153       2.168426  28.88457       3.601698  28.61315       2.715782  1053.391 67.89745 1055.982 50.79893 -2.591431      84.79738 
1 1 1 2   16 12 o 932.4330 46.60935 23.38102       2.042445  20.87437       3.459357  24.72239       2.530591  886.7335 77.84595 978.1326 51.28093 -91.39917      93.21870 
1 1 1 2   16 13 o 344.1733 67.44369 3.188482       1.008317  3.150797       1.106294  3.373413       2.450710  340.7468 66.51622 347.5998 117.3465 -6.853058      134.8874 
1 1 1 2   16 14 o 557.4696 41.39375 8.264534       1.129740  8.331423       1.473044  8.168993       1.760497  562.8201 52.29455 552.1191 64.17982 10.70099       82.78750 
1 1 1 2   16 15 o 165.4003 50.64717 0.7417472E-01  0.7406598 0.3720730      0.8589985 -0.7891057     1.462293  164.1780 66.49077 166.6226 76.41676 -2.444550      101.2943 
1 1 1 2   16 16 o 389.7914 65.15217 4.565999       1.405182  7.455790       2.004880  1.775795       1.970032  512.6429 79.84858 266.9399 102.9729 245.7030       130.3043 
1 1 1 2   16 17 o 238.6539 67.51704 1.060508       1.280743  2.207671       1.888158  0.8292063E-01  1.743024  276.5291 102.0885 200.7787 88.38636 75.75044       135.0341 
1 1 1 2   16 18 o 485.0277 75.17775 7.708004       1.794758  6.151425       2.379878  9.760673       2.732930  422.6618 110.1148 547.3936 102.3792 -124.7317      150.3555 
1 1 1 2   16 19 o 383.8054 61.07807 4.725479       1.164723  3.927248       1.661536  5.496682       1.633164  343.9617 93.12801 423.6490 79.05247 -79.68723      122.1561 
1 1 1 2   16 20 o 306.3758 59.11769 2.061285       1.211201  6.664433       1.991956  -0.6389015     1.525630  449.6646 90.63060 163.0870 75.93220 286.5776       118.2354 
1 1 1 2   17 0  o 1554.521 48.25021 63.20765       3.518170  65.85430       4.302503  57.86709       6.111753  1608.600 52.83109 1500.443 80.75398 108.1567       96.50041 
1 1 1 2   17 1  o 3004.093 54.78241 231.1131       8.331422  233.5732       11.78211  228.6529       11.78271  3020.270 77.05371 2987.916 77.89207 32.35327       109.5648 
1 1 1 2   17 2  o 862.1545 32.61658 18.94521       1.418368  19.20204       2.021413  18.69613       1.990690  867.9202 46.16963 856.3890 46.08394 11.53119       65.23315 
1 1 1 2   17 3  o 1702.845 38.81722 73.91132       3.341840  78.50799       4.732899  69.34107       4.719281  1755.996 53.23780 1649.694 56.50524 106.3018       77.63444 
1 1 1 2   17 4  o 1383.432 50.81837 48.72409       3.559281  48.72409       3.559281  0.000000       0.000000  1383.432 50.81837 ?        ?        ?              ?        
1 1 1 2   17 5  o 1182.427 41.05293 35.87777       2.326094  35.33237       3.953170  36.16660       2.876832  1172.976 66.84588 1191.876 47.67598 -18.90002      82.10585 
1 1 1 2   17 6  f 1578.966 55.16951 64.33521       4.400927  62.16516       6.201178  66.53728       6.246773  1550.727 79.25163 1607.206 76.77160 -56.47888      110.3390 
1 1 1 2   17 7  o 450.7374 60.94495 6.500354       0.9526091 6.993024       1.037082  3.840352       2.409772  522.7092 39.48069 378.7655 115.3188 143.9438       121.8899 
1 1 1 2   17 8  o 438.0345 56.13823 5.291588       0.8858743 5.388165       0.9683620 4.796069       2.193474  457.8080 42.25712 418.2609 104.0209 39.54718       112.2765 
1 1 1 2   17 9  o 742.8802 33.58364 14.70146       1.185732  16.16636       1.500928  12.26932       1.933969  796.6360 37.21484 689.1245 55.91510 107.5115       67.16728 
1 1 1 2   17 10 f 205.5943 55.58078 0.4682435      0.6228448 0.2532647      0.6772759 1.646730       1.585733  146.5926 59.15519 264.5959 94.11460 -118.0033      111.1616 
1 1 1 2   17 11 o 440.5749 51.60110 5.309357       1.090796  4.440561       1.619636  6.030534       1.475636  403.0924 82.15244 478.0573 62.46337 -74.96490      103.2022 
1 1 1 2   17 12 o 587.1760 65.24023 9.647204       1.838467  10.13248       2.419514  8.984247       2.827983  611.1844 80.12380 563.1676 102.9822 48.01678       130.4805 
1 1 1 2   17 13 o 351.0032 67.80701 3.162441       0.9868410 2.985766       1.074002  4.120299       2.500736  330.0977 66.56335 371.9087 118.1545 -41.81097      135.6140 
1 1 1 2   17 14 o 299.0475 55.88039 2.571774       0.8471499 2.721031       1.070588  2.321792       1.385510  312.3645 69.49158 285.7305 87.52937 26.63403       111.7608 
1 1 1 2   17 15 o 517.8990 50.70150 6.685180       1.186661  5.660801       1.384995  9.513333       2.301280  455.9134 61.57993 579.8846 80.56353 -123.9712      101.4030 
1 1 1 2   17 16 f 368.5033 56.36726 4.203994       1.109030  1.541631       1.601254  6.658568       1.537498  245.6220 93.30381 491.3845 63.27297 -245.7625      112.7345 
1 1 1 2   17 17 o 561.0918 53.41096 8.843963       1.432651  10.50922       2.404219  7.927084       1.783978  594.6570 82.04396 527.5266 68.40843 67.13043       106.8219 
1 1 1 2   17 18 o 366.9495 79.01150 5.082236       1.654600  5.867377       2.177846  4.010344       2.544656  411.2427 104.4141 322.6563 118.6126 88.58649       158.0230 
1 1 1 2   17 19 o 301.2184 92.01061 3.080333       1.532262  3.080333       1.532262  0.000000       0.000000  301.2184 92.01061 ?        ?        ?              ?        
1 1 1 2   17 20 o 237.9087 71.34960 1.723421       1.538283  2.560261       2.093549  0.7414737      2.267807  261.0272 104.4711 214.7903 97.20521 46.23692       142.6992 
1 1 1 2   18 0  f 1135.079 43.87712 33.34707       2.327992  33.99202       2.824137  31.97967       4.112159  1155.603 48.27179 1114.554 73.28467 41.04858       87.75425 
1 1 1 2   18 1  o 688.6111 34.80463 12.20623       1.195680  13.76825       1.680331  10.60411       1.701765  734.2764 45.42445 642.9459 52.74531 91.33044       69.60925 
1 1 1 2   18 2  o 987.3335 34.41758 24.85970       1.716961  25.57512       2.431525  24.14824       2.424788  1002.217 47.92181 972.4498 49.41434 29.76727       68.83515 
1 1 1 2   18 3  o 1737.095 47.59346 77.59093       3.962775  78.12603       4.886352  76.56276       6.773253  1749.415 55.17068 1724.776 77.56770 24.63855       95.18693 
1 1 1 2   18 4  o 1597.633 45.92468 64.43304       3.526594  68.68504       6.105988  62.30469       4.319975  1633.572 73.83018 1561.693 54.63890 71.87927       91.84936 
1 1 1 2   18 5  o 519.3635 51.83286 7.335459       1.138173  7.618221       1.328628  6.555790       2.206216  544.2253 48.73770 494.5017 91.49436 49.72357       103.6657 
1 1 1 2   18 6  o 226.4787 57.15776 1.153160       0.7235354 1.223541       0.8079837 0.8682817      1.625570  217.7587 66.86462 235.1986 92.72089 -17.43996      114.3155 
1 1 1 2   18 7  o 1252.469 35.85730 40.16917       2.273015  39.37015       3.229793  40.95327       3.199478  1239.918 51.45150 1265.019 49.95726 -25.10046      71.71461 
1 1 1 2   18 8  o 624.9254 47.01774 10.21929       1.120148  10.23053       1.240781  10.16978       2.604333  632.2091 38.95568 617.6418 85.58696 14.56732       94.03548 
1 1 1 2   18 9  o 885.7857 38.91100 20.03298       1.744957  20.03298       1.744957  0.000000       0.000000  885.7857 38.91100 ?        ?        ?              ?        
1 1 1 2   18 10 o 415.6563 50.42551 4.981269       0.9493732 5.778378       1.190860  3.591199       1.572607  470.9598 50.74656 360.3527 87.15340 110.6071       100.8510 
1 1 1 2   18 11 o 425.2508 42.88700 4.884002       0.8343277 5.028049       1.022216  4.596546       1.444032  439.0591 46.70416 411.4425 71.94374 27.61658       85.77401 
1 1 1 2   18 12 o 321.4842 73.50202 2.948947       1.379805  3.413470       1.883308  2.410667       2.027318  343.0129 101.3891 299.9556 106.4445 43.05731       147.0040 
1 1 1 2   18 13 o 643.9193 54.44604 10.70147       1.493480  10.00917       1.702275  13.01563       3.112305  613.9868 55.35833 673.8517 93.77068 -59.86499      108.8921 
1 1 1 2   18 14 o 543.0073 44.21604 8.159991       1.153296  8.809588       1.505768  7.238117       1.793790  575.4063 52.25911 510.6083 71.33876 64.79800       88.43208 
1 1 1 2   18 15 o 1106.899 56.11808 34.72534       3.103198  30.16020       4.302585  39.67463       4.479957  1024.260 83.70427 1189.537 74.76998 -165.2770      112.2362 
1 1 1 2   18 16 o 275.0673 116.0329 1.872607       2.765948  0.000000       0.000000  1.872607       2.765948  ?        ?        275.0673 116.0329 ?              ?        
1 1 1 2   18 17 o 271.5605 72.01806 2.410738       1.337025  2.334763       1.831596  2.497404       1.956228  268.3657 100.2544 274.7553 103.4188 -6.389679      144.0361 
1 1 1 2   18 18 o 197.1812 58.12458 0.7811329      0.9925840 1.302654       1.167983  -0.5747148     1.883242  213.1494 79.97356 181.2129 84.36880 31.93658       116.2492 
1 1 1 2   18 19 o 244.6541 63.25548 1.816266       1.047249  0.9770726      1.369520  2.997961       1.625138  200.7993 82.94046 288.5089 95.52959 -87.70953      126.5110 
1 1 1 2   19 0  o 1080.673 43.88690 30.23388       2.217431  30.62042       2.687249  29.40908       3.925433  1095.490 48.45248 1065.857 73.18877 29.63281       87.77380 
1 1 1 2   19 1  o 1233.979 50.19906 38.88017       3.136080  38.88017       3.136080  0.000000       0.000000  1233.979 50.19906 ?        ?        ?              ?        
1 1 1 2   19 2  o 1411.453 50.66573 50.89581       3.620464  50.89581       3.620464  0.000000       0.000000  1411.453 50.66573 ?        ?        ?              ?        
1 1 1 2   19 3  o 595.7649 41.25622 9.313110       1.185979  9.743484       1.519717  8.642738       1.896694  615.6495 49.16813 575.8804 66.26311 39.76910       82.51244 
1 1 1 2   19 4  o 651.1666 44.21219 11.62183       1.312904  9.264091       2.225080  12.88112       1.626152  593.4643 75.78782 708.8689 45.55303 -115.4046      88.42439 
1 1 1 2   19 5  o 403.7997 61.25412 4.999983       1.065277  5.591493       1.220614  3.109567       2.182108  464.1790 52.88497 343.4204 110.5054 120.7586       122.5082 
1 1 1 2   19 6  o 307.0059 68.29201 2.343877       1.174556  1.761189       1.504434  3.253496       1.879684  268.0069 91.93162 346.0049 101.0137 -77.99802      136.5840 
1 1 1 2   19 7  o 1053.691 43.39737 28.24090       2.159036  30.15611       3.841115  27.35634       2.610435  1074.757 70.99318 1032.625 49.93290 42.13269       86.79473 
1 1 1 2   19 8  o 347.8851 58.52916 3.875459       0.8217418 4.213825       0.8907825 1.942979       2.128806  403.1953 44.37321 292.5750 108.3221 110.6203       117.0583 
1 1 1 2   19 9  o 1297.230 41.79832 43.15842       2.745107  43.15842       2.745107  0.000000       0.000000  1297.230 41.79832 ?        ?        ?              ?        
1 1 1 2   19 10 o 1482.634 49.07626 58.64943       3.358756  59.31266       4.032075  57.14592       6.070855  1511.026 52.70757 1454.242 82.79993 56.78418       98.15251 
1 1 1 2   19 11 o 485.8418 58.65237 6.073919       1.191137  5.633100       1.350025  7.622948       2.530704  459.0387 59.49015 512.6449 101.1006 -53.60620      117.3047 
1 1 1 2   19 12 o 549.9235 58.89763 8.903196       1.483488  7.037550       2.393266  10.06731       1.890486  487.9329 100.2364 611.9142 61.87400 -123.9813      117.7953 
1 1 1 2   19 13 o 546.2362 67.37956 8.773256       1.791764  8.018877       2.444486  9.649130       2.633986  519.5397 96.48835 572.9326 94.07455 -53.39288      134.7591 
1 1 1 2   19 14 o 567.4470 62.04372 8.781504       1.439250  8.246660       1.623733  10.74215       3.108861  550.2532 59.21902 584.6408 109.0449 -34.38763      124.0874 
1 1 1 2   19 15 o 276.9642 62.58626 2.284289       0.9605579 2.166784       1.191097  2.502857       1.624472  269.3115 80.87005 284.6169 95.54158 -15.30539      125.1725 
1 1 1 2   19 16 o 640.8074 43.12257 11.27775       1.354524  10.16569       1.722041  13.08227       2.193607  604.2887 56.95999 677.3262 64.75941 -73.03748      86.24513 
1 1 1 2   19 17 o 536.3979 64.33931 8.882984       1.633720  11.99745       2.760925  7.204906       2.026604  601.8355 93.65937 470.9603 88.23893 130.8752       128.6786 
1 1 1 2   19 18 o 494.9871 61.54869 7.494294       1.410010  6.337370       1.700994  10.03515       2.520813  448.7581 77.68262 541.2160 95.49020 -92.45789      123.0974 
1 1 1 2   19 19 o 407.2570 63.95866 5.843783       1.267665  5.808280       1.645355  5.895639       1.988493  418.8423 80.51833 395.6716 99.39638 23.17072       127.9173 
1 1 1 2   20 0  o 1176.041 42.86873 34.50118       2.398088  39.09497       4.270148  32.38491       2.898296  1227.645 68.98431 1124.437 50.91245 103.2081       85.73746 
1 1 1 2   20 1  o 1010.521 44.48678 26.47920       2.095274  26.63462       2.530572  26.14033       3.736549  1020.101 48.99954 1000.941 74.26533 19.15948       88.97356 
1 1 1 2   20 2  o 829.6278 41.37352 18.10961       1.638619  18.90653       2.050879  16.70281       2.724886  858.3773 47.37650 800.8784 67.84203 57.49884       82.74705 
1 1 1 2   20 3  o 541.2401 44.74257 7.815508       1.130118  7.150788       1.899039  8.179996       1.406229  519.6131 74.30473 562.8672 49.86377 -43.25409      89.48513 
1 1 1 2   20 4  o 570.3245 37.14036 8.388565       1.057606  9.226139       1.545009  7.650028       1.450794  597.4501 51.58529 543.1989 53.44701 54.25122       74.28072 
1 1 1 2   20 5  o 800.4666 33.15404 16.42488       1.335371  17.29021       1.960763  15.67631       1.823678  819.9925 47.43409 780.9407 46.33324 39.05182       66.30808 
1 1 1 2   20 6  o 239.4003 63.97735 1.082195       0.8137206 1.039155       0.8787832 1.340988       2.154899  206.5702 70.26657 272.2304 106.9346 -65.66023      127.9547 
1 1 1 2   20 7  o 182.0172 52.08511 0.2987675      0.6744838 0.8775052      1.302339  0.8663995E-01  0.7884640 216.9055 83.70925 147.1289 62.00159 69.77664       104.1702 
1 1 1 2   20 8  o 524.0991 39.33740 7.735395       0.9334303 9.080775       1.184859  5.534452       1.515474  593.7565 39.64407 454.4418 67.95640 139.3148       78.67480 
1 1 1 2   20 9  o 591.7411 51.87477 9.171791       1.538387  9.171791       1.538387  0.000000       0.000000  591.7411 51.87477 ?        ?        ?              ?        
1 1 1 2   20 10 o 587.8558 97.36727 9.938463       2.796369  0.000000       0.000000  9.938463       2.796369  ?        ?        587.8558 97.36727 ?              ?        
1 1 1 2   20 11 o 589.0773 55.78301 9.451463       1.415759  9.190701       1.643244  10.20255       2.788855  586.9525 55.97719 591.2021 96.50664 -4.249634      111.5660 
1 1 1 2   20 12 o 250.7620 58.10209 1.874503       1.004892  2.727212       1.117107  -1.741610      2.300463  309.1589 72.60935 192.3650 90.72647 116.7939       116.2042 
1 1 1 2   20 13 o 424.8442 76.01550 5.421700       1.590660  4.333594       1.972149  7.447285       2.690789  370.5217 101.9376 479.1667 112.7926 -108.6450      152.0310 
1 1 1 2   20 14 o 602.6698 57.91266 11.03567       1.356344  11.39316       1.541843  9.812377       2.852173  653.2172 46.93574 552.1224 105.8893 101.0948       115.8253 
1 1 1 2   20 15 o 239.1822 63.44364 1.604146       1.091909  2.324399       1.473512  0.7269691      1.626127  270.2700 90.99274 208.0944 88.43474 62.17560       126.8873 
1 1 1 2   20 16 o 182.8387 56.64347 0.2981592      0.8764914 0.1069234      1.011669  0.8737614      1.755152  154.9176 67.78670 210.7598 90.76836 -55.84222      113.2869 
1 1 1 2   20 17 o 301.5801 75.90110 3.677726       1.571207  2.205456       2.368782  4.834337       2.099545  252.0084 106.9006 351.1518 107.7783 -99.14333      151.8022 
1 1 1 2   20 18 o 337.4943 72.54543 2.114092       1.103188  0.8658593      1.184559  10.27460       3.028778  187.5987 77.27545 487.3898 122.8001 -299.7911      145.0909 
1 1 1 2   21 0  f 440.6522 60.98195 6.051327       1.162058  3.593559       2.190926  7.013394       1.370756  361.6555 109.9240 519.6489 52.83846 -157.9934      121.9639 
1 1 1 2   21 1  o 739.1657 50.17321 14.09499       1.866457  14.09499       1.866457  0.000000       0.000000  739.1657 50.17321 ?        ?        ?              ?        
1 1 1 2   21 2  o 437.8828 58.65251 5.250135       1.101082  5.323683       1.276317  5.036097       2.177296  450.8145 57.20895 424.9510 102.4090 25.86353       117.3050 
1 1 1 2   21 3  o 598.3875 80.13876 9.572614       2.366798  0.000000       0.000000  9.572614       2.366798  ?        ?        598.3875 80.13876 ?              ?        
1 1 1 2   21 4  o 1141.291 36.23378 33.54068       2.091547  35.59714       2.987598  31.56403       2.929058  1175.994 50.18033 1106.589 52.28270 69.40491       72.46755 
1 1 1 2   21 5  o 799.7280 44.04898 16.62197       1.673393  16.37212       2.053776  17.11546       2.886363  795.0154 51.30003 804.4406 71.62094 -9.425171      88.09797 
1 1 1 2   21 6  o 593.0557 61.74030 9.924994       1.705144  13.29428       2.398602  6.482620       2.424481  708.4642 67.69798 477.6472 103.2688 230.8170       123.4806 
1 1 1 2   21 7  o 411.7095 56.73576 5.005034       1.055736  3.802374       1.859888  5.576755       1.282352  364.2140 98.49609 459.2050 56.34098 -94.99106      113.4715 
1 1 1 2   21 8  o 408.0587 67.17516 4.761572       1.309015  4.921913       2.247251  4.679228       1.610435  407.1153 107.4578 409.0022 80.64009 -1.886902      134.3503 
1 1 1 2   21 9  o 420.6575 64.12347 3.879484       1.213123  2.428012       1.382823  8.728354       2.527451  291.4497 87.04984 549.8654 94.17856 -258.4157      128.2469 
1 1 1 2   21 10 o 371.2164 66.09949 3.519633       0.8941954 3.329902       0.9520880 4.938956       2.604045  350.6330 55.48042 391.7997 119.9937 -41.16678      132.1990 
1 1 1 2   21 11 o 210.6075 57.33421 1.083734       0.7771535 1.417477       0.8172784 -2.066959      2.511116  225.1177 66.85046 196.0972 93.16576 29.02055       114.6684 
1 1 1 2   21 12 o 260.7371 69.51189 1.341008       1.079242  0.7817891      1.219559  3.360338       2.317478  199.5322 79.77972 321.9420 113.8543 -122.4098      139.0238 
1 1 1 2   21 13 f 575.1887 55.61995 8.306490       1.388095  6.936499       1.577091  13.01684       2.924316  496.9197 64.18883 653.4576 90.85213 -156.5379      111.2399 
1 1 1 2   21 14 o 174.5262 52.49134 0.2504217      0.8725405 1.023662       0.9245450 -6.048635      2.638813  196.2304 71.59261 152.8219 76.78453 43.40848       104.9827 
1 1 1 2   21 15 o 243.5061 65.03967 1.884593       1.078532  1.736944       1.385835  2.111384       1.717547  235.0680 87.32561 251.9441 96.40992 -16.87604      130.0793 
1 1 1 2   21 16 o 155.7148 50.89529 -0.2854880     0.8784420 -0.1526000     1.043475  -0.6087888     1.627581  146.0413 66.02858 165.3884 77.46966 -19.34714      101.7906 
1 1 1 2   21 17 o 304.1122 66.73677 3.502653       1.113620  3.555395       1.323699  3.374912       2.060057  324.8879 80.81128 283.3364 106.2296 41.55148       133.4735 
1 1 1 2   21 18 o 396.3674 74.63046 7.507409       1.560452  7.729583       1.741454  6.602205       3.515108  486.0128 73.03360 306.7219 130.1726 179.2910       149.2609 
1 1 1 2   22 0  o 587.6969 71.20387 9.193831       2.075321  9.193831       2.075321  0.000000       0.000000  587.6969 71.20387 ?        ?        ?              ?        
1 1 1 2   22 1  o 833.9799 67.88864 18.33700       2.841520  0.000000       0.000000  18.33700       2.841520  ?        ?        833.9799 67.88864 ?              ?        
1 1 1 2   22 2  o 698.1141 83.02672 13.16281       2.876911  0.000000       0.000000  13.16281       2.876911  ?        ?        698.1141 83.02672 ?              ?        
1 1 1 2   22 3  o 387.8587 58.65689 4.433366       1.093332  5.255126       1.385646  3.077784       1.779684  444.1508 63.42355 331.5666 98.69133 112.5843       117.3138 
1 1 1 2   22 4  o 623.1718 63.97053 11.06456       1.880919  13.14456       2.533773  8.511341       2.807240  700.6794 72.47491 545.6641 105.4339 155.0154       127.9411 
1 1 1 2   22 5  o 940.3608 52.57033 23.75319       2.479699  22.34669       3.451564  25.25353       3.564825  910.5839 75.55322 970.1376 73.11819 -59.55371      105.1407 
1 1 1 2   22 6  o 982.8641 44.89980 25.72142       2.061734  25.82963       2.499102  25.49082       3.648137  995.9109 49.56554 969.8173 74.88142 26.09363       89.79961 
1 1 1 2   22 7  o 205.5494 62.62639 -1.849556      1.204534  -3.512639      1.430161  2.209553       2.234309  118.4856 59.08582 292.6132 110.4406 -174.1276      125.2528 
1 1 1 2   22 8  o 266.4686 64.22024 1.903596       1.013030  2.348737       1.656273  1.637542       1.280465  286.5518 96.47080 246.3853 84.79587 40.16641       128.4405 
1 1 1 2   22 9  f 353.3429 53.42777 3.740042       0.8939095 4.153318       1.111794  2.984371       1.503388  390.3206 58.02817 316.3652 89.72647 73.95535       106.8555 
1 1 1 2   22 10 o 221.8232 60.24731 1.243363       0.7914844 1.471656       0.8306427 -1.008112      2.608567  228.2510 67.29695 215.3955 99.95036 12.85548       120.4946 
1 1 1 2   22 11 o 185.8393 58.79056 0.1828572      0.7481492 0.1773807      0.7918949 0.2283576      2.282555  147.2886 62.10623 224.3899 99.84055 -77.10126      117.5811 
1 1 1 2   22 12 o 259.8668 65.73956 1.533994       1.012476  0.8433396      1.178237  3.483682       1.979633  197.7480 78.62651 321.9855 105.3785 -124.2375      131.4791 
1 1 1 2   22 13 o 255.5193 67.55939 2.019175       1.341927  3.034457       1.580336  -0.6050584     2.540723  302.3922 93.62237 208.6465 97.42658 93.74570       135.1188 
1 1 1 2   22 14 o 242.9285 64.36249 1.623422       0.9275095 1.267995       1.053444  2.849083       1.956235  208.0377 76.34134 277.8193 103.6442 -69.78162      128.7250 
1 1 1 2   22 15 o 192.3715 56.85606 0.8959960      0.8907214 1.142433       1.016659  0.8204842E-01  1.847655  197.4147 74.50092 187.3282 85.90729 10.08650       113.7121 
1 1 1 2   22 16 f 227.3417 58.54676 1.823334       0.9636244 2.375513       1.130335  0.3545338      1.843524  264.2693 78.65045 190.4140 86.74676 73.85532       117.0935 
1 1 1 2   22 17 o 260.7831 68.44980 2.461238       1.099755  1.814108       1.290322  4.179637       2.102636  223.9178 84.04904 297.6483 108.0614 -73.73044      136.8996 
1 1 1 2   23 0  o 991.2779 70.31359 26.30622       3.505834  26.30622       3.505834  0.000000       0.000000  991.2779 70.31359 ?        ?        ?              ?        
1 1 1 2   23 1  o 945.7463 78.24860 24.28668       3.712925  0.000000       0.000000  24.28668       3.712925  ?        ?        945.7463 78.24860 ?              ?        
1 1 1 2   23 2  f 275.4245 77.03446 2.113340       1.116204  0.000000       0.000000  2.113340       1.116204  ?        ?        275.4245 77.03446 ?              ?        
1 1 1 2   23 3  o 695.7031 51.66763 13.93006       1.589501  15.31912       1.937183  11.06791       2.780721  764.8055 50.31147 626.6006 90.26035 138.2048       103.3353 
1 1 1 2   23 4  o 356.4901 63.75605 3.559119       1.052677  3.433548       1.225238  3.913119       2.057198  351.3795 71.31152 361.6006 105.7072 -10.22104      127.5121 
1 1 1 2   23 5  o 284.9174 65.42493 2.272554       1.007516  2.297469       1.172301  2.202144       1.970710  284.0493 78.76961 285.7854 104.4846 -1.736145      130.8499 
1 1 1 2   23 6  o 273.0202 57.16494 2.241861       0.8103146 1.433479       1.693315  2.481961       0.9228389 247.1148 95.42770 298.9257 62.96727 -51.81085      114.3299 
1 1 1 2   23 7  o 133.6834 44.44723 -0.4355831     0.5889213 -1.776313      1.549162  -0.2090918     0.6367248 149.9230 71.76585 117.4438 52.45845 32.47916       88.89446 
1 1 1 2   23 8  o 580.5931 39.17023 9.132364       1.132719  9.421048       1.554155  8.805260       1.654347  592.4067 52.35825 568.7795 58.27386 23.62726       78.34047 
1 1 1 2   23 9  o 299.2216 53.33477 2.629123       0.7918859 2.623949       1.003762  2.637650       1.288671  302.4140 67.29521 296.0291 82.76319 6.384857       106.6695 
1 1 1 2   23 10 o 204.6721 63.31871 0.4469943      0.9078398 0.3899001      0.9762977 0.8118107      2.467878  168.3631 69.82464 240.9812 105.6483 -72.61815      126.6374 
1 1 1 2   23 11 o 250.2494 63.06578 1.949247       0.9083365 2.182970       0.9612516 -0.1505095E-04 2.776009  271.3296 69.62954 229.1692 105.1708 42.16042       126.1316 
1 1 1 2   23 12 o 324.0049 83.56831 4.144757       1.822392  4.910561       2.496355  3.270966       2.666560  353.2517 118.4382 294.7580 117.9281 58.49371       167.1366 
1 1 1 2   23 13 o 215.8532 84.68922 1.369507       1.350099  1.369507       1.350099  0.000000       0.000000  215.8532 84.68922 ?        ?        ?              ?        
1 1 1 2   23 14 o 222.1695 63.81446 1.627563       1.137650  2.035026       1.254335  -0.2618644     2.701063  242.2773 83.89513 202.0617 96.18082 40.21558       127.6289 
1 1 1 2   23 15 o 218.2814 63.35264 1.188857       0.9341592 0.7383712      1.048295  2.926252       2.058697  175.6511 72.55963 260.9117 103.8717 -85.26056      126.7053 
1 1 1 2   23 16 o 186.2337 57.28169 0.8687447      0.9327066 1.065461       1.033763  0.7592844E-02  2.162921  187.2618 73.90345 185.2057 87.53885 2.056030       114.5634 
1 1 1 2   24 0  o 286.2225 55.56231 2.341329       0.8339883 2.659460       1.189844  2.034090       1.169299  304.9388 77.04337 267.5063 80.08121 37.43243       111.1246 
1 1 1 2   24 1  o 821.1241 54.51270 19.00780       2.193434  21.50090       2.997407  16.13366       3.218329  889.0906 67.08513 753.1577 85.94256 135.9329       109.0254 
1 1 1 2   24 2  o 519.2039 54.47404 6.941006       1.277432  9.328879       2.441938  6.041352       1.498880  568.9095 87.59319 469.4984 64.78516 99.41110       108.9481 
1 1 1 2   24 3  o 437.7333 54.14842 4.536876       1.071433  8.490392       2.054678  3.060330       1.255670  549.5110 75.88015 325.9555 77.26842 223.5555       108.2968 
1 1 1 2   24 4  o 294.3099 51.69187 2.499904       0.7751130 2.973505       1.087826  2.011478       1.104720  324.3550 68.39903 264.2648 77.52271 60.09027       103.3837 
1 1 1 2   24 5  o 179.0524 48.50422 0.2182480      0.6719930 1.520329       1.085121  -0.5917469     0.8558555 233.7049 78.08819 124.3999 57.55757 109.3051       97.00845 
1 1 1 2   24 6  o 355.9345 59.36048 4.579965       1.040873  1.765170       2.159233  5.432075       1.188021  264.3141 105.9873 447.5549 53.49163 -183.2408      118.7210 
1 1 1 2   24 7  o 210.2844 59.12345 0.9652203      0.8572220 0.8286110      1.737969  1.009139       0.9854283 220.3047 92.40325 200.2642 73.78326 20.04047       118.2469 
1 1 1 2   24 8  o 217.3880 55.95859 1.285760       0.8091764 0.8087257      1.333925  1.563503       1.017835  202.7144 82.57609 232.0617 75.54234 -29.34727      111.9172 
1 1 1 2   24 9  o 433.8909 46.38420 5.276062       0.9752508 4.640666       1.265006  6.207058       1.531244  403.0039 64.15159 464.7778 67.01158 -61.77386      92.76841 
1 1 1 2   24 10 o 208.9935 55.80886 0.9619619      0.7380392 0.6180633      0.8644535 1.886654       1.417506  170.9014 67.53841 247.0855 88.86550 -76.18410      111.6177 
1 1 1 2   24 11 o 176.1241 59.38210 -0.4479931     0.7930172 -0.5964358     0.8328096 0.9949507      2.596516  118.9924 55.63484 233.2558 104.9271 -114.2634      118.7642 
1 1 1 2   24 12 o 177.2891 57.55267 0.1100319      1.044981  0.4720477      1.147454  -1.649561      2.529749  172.3376 73.78717 182.2406 88.34417 -9.902985      115.1053 
1 1 1 2   24 13 o 274.1726 89.45113 2.804002       1.426848  2.804002       1.426848  0.000000       0.000000  274.1726 89.45113 ?        ?        ?              ?        
1 1 1 2   24 14 o 191.3188 60.47599 0.8081877      1.090618  1.052719       1.195724  -0.4021549     2.660224  190.6081 77.97388 192.0296 92.46328 -1.421585      120.9520 
1 1 1 2   24 15 o 209.1030 66.23746 1.100407       1.063884  0.7803236      1.145211  3.116914       2.874448  175.8718 74.45115 242.3341 109.5748 -66.46234      132.4749 
1 1 1 2   24 16 o 232.1100 68.69889 1.779389       1.049807  1.072064       1.150669  5.291675       2.564105  181.6425 75.60694 282.5774 114.7246 -100.9349      137.3978 
1 1 1 2   25 0  o 262.8749 61.28275 1.948576       0.9288528 2.488776       1.498164  1.611268       1.183846  286.6398 91.49378 239.1100 81.55483 47.52988       122.5655 
1 1 1 2   25 1  o 442.4048 85.39201 5.825578       1.843310  5.825578       1.843310  0.000000       0.000000  442.4048 85.39201 ?        ?        ?              ?        
1 1 1 2   25 2  o 316.2386 60.53786 2.546189       0.9802622 1.524796       1.178025  4.845639       1.767543  233.7870 81.28333 398.6902 89.73490 -164.9032      121.0757 
1 1 1 2   25 3  o 555.6023 57.53332 9.039855       1.386244  8.996710       2.612697  9.056760       1.635425  535.5800 100.0352 575.6246 56.86201 -40.04462      115.0666 
1 1 1 2   25 4  o 458.8376 54.40036 6.031174       1.166420  6.610539       1.986318  5.726234       1.441052  467.0201 87.21717 450.6551 65.04432 16.36502       108.8007 
1 1 1 2   25 5  o 246.7911 63.12624 1.659765       0.9222451 2.059877       1.820311  1.521597       1.069695  263.6792 99.64516 229.9031 77.52762 33.77608       126.2525 
1 1 1 2   25 6  o 226.1772 56.90799 1.498161       0.8024157 0.5773782      1.721361  1.753793       0.9069871 208.4988 89.84216 243.8557 69.87461 -35.35687      113.8160 
1 1 1 2   25 7  o 146.5424 45.10181 0.1925759E-01  0.6349906 -0.3468797     0.9686483 0.2951697      0.8408713 138.8284 63.10426 154.2563 64.45576 -15.42781      90.20362 
1 1 1 2   25 8  o 305.4880 76.37340 3.091814       1.375279  2.572724       1.637645  4.333837       2.533163  277.7466 95.87852 333.2295 118.9071 -55.48285      152.7468 
1 1 1 2   25 9  o 187.7996 52.62145 0.6412193      0.7973235 -0.1776558     1.108323  1.519604       1.147889  151.6203 68.34588 223.9788 80.03068 -72.35844      105.2429 
1 1 1 2   25 10 f 179.0264 50.84127 0.3369372      0.7341506 -0.4373758     0.9231067 1.669648       1.211049  129.7450 59.94107 228.3077 82.13651 -98.56274      101.6825 
1 1 1 2   25 11 o 178.7319 56.69140 0.5227446      0.8314209 0.7134191      0.8740919 -1.288376      2.693918  169.9161 67.67116 187.5476 90.97403 -17.63153      113.3828 
1 1 1 2   25 12 o 202.0047 64.03250 0.9938564      1.091359  0.9610630      1.178127  1.192207       2.897450  186.5051 76.97274 217.5042 102.3516 -30.99915      128.0650 
1 1 1 2   25 13 o 339.7393 75.49415 3.626069       1.280456  2.054416       1.430618  9.955803       2.871033  229.8703 87.98296 449.6082 122.7048 -219.7379      150.9883 
1 1 1 2   25 14 o 178.0130 57.31268 0.6488326      0.9580215 0.8178201      1.023189  -0.5524466     2.728038  172.4961 71.50556 183.5300 89.58755 -11.03391      114.6254 
1 1 1 2   25 15 o 190.9454 61.15884 1.224280       1.372455  1.964406       1.560727  -1.300233      2.882457  211.0152 87.96216 170.8757 84.99573 40.13953       122.3177 
1 1 1 2   26 0  o 507.6910 56.98795 7.963573       1.347050  6.665715       2.129390  8.829467       1.739298  455.8474 95.33402 559.5345 62.46542 -103.6872      113.9759 
1 1 1 2   26 1  o 208.6581 55.12595 1.112443       0.8037959 0.6512100      1.156279  1.543764       1.118158  187.3587 76.66451 229.9574 79.23404 -42.59875      110.2519 
1 1 1 2   26 2  o 351.9341 55.32562 3.883195       0.9731271 4.866827       1.327698  2.741409       1.430460  410.9672 66.05013 292.9011 88.77544 118.0660       110.6512 
1 1 1 2   26 3  o 372.3430 59.91942 4.438575       1.096288  4.866143       1.424142  3.816705       1.717516  405.7407 71.96519 338.9453 95.82464 66.79538       119.8388 
1 1 1 2   26 4  o 158.9603 50.06828 -0.4950163E-01 0.7970384 -0.4627804     1.357283  0.1680254      0.9847037 160.4328 73.59416 157.4877 67.90605 2.945190       100.1366 
1 1 1 2   26 5  o 216.8405 60.29444 1.266469       0.9549678 0.3875627      1.904059  1.561857       1.103840  205.6218 91.35282 228.0593 78.71683 -22.43750      120.5889 
1 1 1 2   26 6  o 232.0237 52.23747 1.533125       0.8482971 -0.1779613     1.303450  2.790367       1.117295  163.3595 73.83333 300.6880 73.91653 -137.3286      104.4749 
1 1 1 2   26 7  o 218.5088 59.67891 1.351549       0.8422982 1.264090       1.839874  1.374739       0.9474093 223.4345 94.46451 213.5830 72.95715 9.851517       119.3578 
1 1 1 2   26 8  o 230.4155 61.57813 0.8253058      0.8998421 3.754913       1.909791  -0.1066909E-01 1.020182  311.3132 103.5814 149.5178 66.62095 161.7954       123.1563 
1 1 1 2   26 9  o 231.1217 58.59830 1.745028       0.9069781 2.539599       1.317763  1.029820       1.250222  267.1368 85.86562 195.1066 79.76301 72.03023       117.1966 
1 1 1 2   26 10 o 254.7181 59.58575 2.423257       0.9107226 2.693657       1.195871  2.049898       1.405221  275.2364 80.63368 234.1997 87.74998 41.03668       119.1715 
1 1 1 2   26 11 o 242.4818 70.95979 2.189420       1.132379  1.850408       1.221695  4.256931       3.017027  223.1544 82.16312 261.8091 115.7169 -38.65466      141.9196 
1 1 1 2   26 12 o 224.0900 101.8220 2.359846       2.518949  2.359846       2.518949  0.000000       0.000000  224.0900 101.8220 ?        ?        ?              ?        
1 1 1 2   26 13 o 188.3706 62.70552 0.7681783      1.533430  1.164019       1.837273  -0.1406412     2.783893  192.4326 87.25327 184.3086 90.08215 8.123962       125.4110 
1 1 1 2   26 14 o 188.3481 61.48350 0.9809192      0.9843183 0.6716086      1.052175  3.149583       2.786034  160.4359 69.68298 216.2602 101.3171 -55.82426      122.9670 
1 1 1 2   27 0  o 183.8086 56.15297 0.3428671      0.9345273 -0.3947116E-01 1.190133  0.9577202      1.509237  160.6306 71.73617 206.9866 86.40918 -46.35602      112.3059 
1 1 1 2   27 1  o 284.2224 61.47963 2.810647       1.010973  3.302011       1.252410  1.891635       1.712795  324.0031 77.41000 244.4415 95.53362 79.56161       122.9593 
1 1 1 2   27 2  o 235.9412 85.83126 1.755092       1.327485  0.000000       0.000000  1.755092       1.327485  ?        ?        235.9412 85.83126 ?              ?        
1 1 1 2   27 3  o 201.5170 59.35426 0.7450914      1.051219  -0.1581369     1.482529  1.658431       1.490803  171.3748 77.96394 231.6591 89.51723 -60.28439      118.7085 
1 1 1 2   27 4  o 214.1540 55.55220 1.167367       0.8222363 2.263241       1.286729  0.4110466      1.068956  260.0518 84.95045 168.2562 71.60732 91.79555       111.1044 
1 1 1 2   27 5  o 218.4083 59.45030 1.442687       0.9284431 1.769116       1.367806  1.163781       1.264325  232.3768 86.67064 204.4398 81.39750 27.93701       118.9006 
1 1 1 2   27 6  o 238.3983 57.48456 1.865861       0.8562545 2.532486       1.246577  1.270391       1.178170  271.2282 83.01460 205.5685 79.53915 65.65968       114.9691 
1 1 1 2   27 7  o 284.2526 65.67729 2.860078       0.9743485 3.680241       2.095049  2.633725       1.100619  288.1978 107.3092 280.3074 75.75461 7.890381       131.3546 
1 1 1 2   27 8  o 127.9720 42.56583 -0.8037260     0.6819595 0.2107710      1.112913  -1.413689      0.8629543 156.2927 69.61548 99.65125 49.00088 56.64147       85.13167 
1 1 1 2   27 9  o 94.91608 33.37684 -1.730449      0.6217148 -3.005711      1.102042  -1.135103      0.7529789 94.58563 47.78169 95.24652 46.61506 -0.6608887     66.75368 
1 1 1 2   27 10 o 179.1667 53.33635 0.7390313      0.8221486 0.9825742E-01  1.046747  1.770877       1.328301  145.7158 65.98388 212.6177 83.81641 -66.90195      106.6727 
1 1 1 2   27 11 o 186.3752 53.12400 1.148197       0.8686459 1.792782       1.047772  -0.2686304     1.553407  217.4461 76.59221 155.3043 73.63606 62.14183       106.2480 
1 1 1 2   27 12 o 186.4406 76.40619 1.265749       1.150709  1.265749       1.150709  0.000000       0.000000  186.4406 76.40619 ?        ?        ?              ?        
1 1 1 2   27 13 o 169.6766 58.74958 0.2694542      1.597114  0.3615565      1.850058  0.1879105E-04  3.164298  164.6731 78.71855 174.6800 87.23212 -10.00690      117.4992 
1 1 1 2   28 0  o 251.5451 62.52905 2.270936       1.028826  2.871633       1.397548  1.560241       1.520129  282.7107 88.12625 220.3795 88.73157 62.33118       125.0581 
1 1 1 2   28 1  o 160.3352 47.85706 -0.1512075     0.7890333 1.301791       1.084225  -1.787098      1.150440  204.9989 77.02579 115.6715 56.81743 89.32733       95.71413 
1 1 1 2   28 2  o 208.7414 57.59449 1.347697       0.8884740 1.024345       1.258832  1.668656       1.254165  194.6000 79.85175 222.8828 83.01927 -28.28281      115.1890 
1 1 1 2   28 3  o 216.9519 59.40208 1.281199       0.9650851 0.3480056      1.245510  2.683294       1.526687  169.0063 74.54198 264.8976 92.50903 -95.89122      118.8042 
1 1 1 2   28 4  o 265.2396 59.05378 2.592500       1.055941  4.061931       1.417451  0.7601266      1.582853  340.1350 83.03779 190.3441 83.98883 149.7909       118.1076 
1 1 1 2   28 5  o 159.6468 53.23824 -0.4516127     1.095111  -0.5415805E-01 1.712031  -0.7268519     1.424699  171.9882 80.19698 147.3053 70.04061 24.68294       106.4765 
1 1 1 2   28 6  o 129.9559 60.08367 -0.2701619     0.9300836 0.000000       0.000000  -0.2701619     0.9300836 ?        ?        129.9559 60.08367 ?              ?        
1 1 1 2   28 7  o 168.2501 49.98745 0.3722282      0.7009607 1.744630       1.246495  -0.2624862     0.8476944 212.8001 81.95918 123.7001 57.25095 89.09996       99.97489 
1 1 1 2   28 8  o 157.9707 48.47641 0.1144332      0.7580520 1.486210       1.183091  -0.8409880     0.9873564 198.7966 78.86878 117.1449 56.38762 81.65170       96.95282 
1 1 1 2   28 9  o 162.1207 55.95180 -0.4744588     1.134497  -0.9219068     1.271113  1.277893       2.515495  130.1819 62.98544 194.0595 92.49460 -63.87762      111.9036 
1 1 1 2   28 10 o 169.2461 52.06136 0.6690293      0.8787349 -0.2267354     1.239739  1.573458       1.245720  141.4102 66.66648 197.0819 79.98200 -55.67169      104.1227 
1 1 1 2   28 11 o 151.7885 49.72157 0.2197723      0.8596535 -0.8913456E-01 1.065576  0.7955950      1.454839  135.2251 63.12654 168.3518 76.83734 -33.12671      99.44314 
1 1 1 2   28 12 o 157.6956 55.92183 -0.6199408E-01 1.014726  -0.3561036     1.058981  3.237903       3.547185  125.2901 59.79886 190.1012 94.51508 -64.81111      111.8437 
1 1 1 2   29 0  o 132.2477 44.58128 -1.324603      0.8840064 0.3096511      1.224582  -3.102986      1.277440  160.5435 72.15358 103.9519 52.38153 56.59161       89.16257 
1 1 1 2   29 1  o 200.6661 61.39801 1.350257       1.059183  1.310815       1.212507  1.477295       2.176079  195.4682 79.05470 205.8641 93.96393 -10.39592      122.7960 
1 1 1 2   29 2  o 173.3422 53.09729 0.4098143      0.9416042 1.696531       1.324866  -0.9035153     1.338497  210.1811 83.43690 136.5034 65.69303 73.67764       106.1946 
1 1 1 2   29 3  o 205.6802 56.94818 1.555836       0.8841105 2.165577       1.276060  0.9929247      1.226079  230.6572 84.11522 180.7032 76.79200 49.95398       113.8964 
1 1 1 2   29 4  o 149.9295 47.87996 -0.3124672     0.8685853 -1.989530      1.269096  1.165338       1.191320  114.7053 56.94552 185.1537 76.98811 -70.44838      95.75991 
1 1 1 2   29 5  o 223.5576 63.39270 2.116244       1.052612  1.465111       1.304917  3.329140       1.780984  194.7029 80.73490 252.4122 97.75690 -57.70929      126.7854 
1 1 1 2   29 6  o 279.8620 74.00958 4.294114       1.344293  5.681942       2.527211  3.746481       1.587517  281.0831 113.9737 278.6409 94.44405 2.442261       148.0192 
1 1 1 2   29 7  o 152.1218 48.63014 0.2008297      0.7669023 1.144168       1.287860  -0.3174727     0.9546113 179.1646 77.45469 125.0790 58.82459 54.08558       97.26028 
1 1 1 2   29 8  o 216.4756 55.21244 2.228014       1.048433  -1.210170      2.252343  3.179057       1.184595  153.8813 76.30396 279.0699 79.82081 -125.1887      110.4249 
1 1 1 2   29 9  o 138.2162 46.44035 -0.3062620     0.8592621 0.4385947      1.346268  -0.8182698     1.116178  155.7509 72.10728 120.6815 58.54369 35.06938       92.88069 
1 1 1 2   29 10 o 131.1869 44.75840 -0.4571384     0.8921527 -0.5205527     1.246185  -0.3904659     1.277797  129.4291 62.55688 132.9447 64.03043 -3.515610      89.51681 
1 1 1 2   30 0  o 183.4192 53.31839 0.3292290      0.9701734 -1.900121      1.303884  3.094294       1.452120  114.9527 57.17677 251.8857 90.01232 -136.9330      106.6368 
1 1 1 2   30 1  o 223.4469 60.61900 2.368022       0.9619840 2.371666       1.329912  2.364024       1.393195  225.0103 85.13792 221.8836 86.31445 3.126740       121.2380 
1 1 1 2   30 2  o 174.4980 54.88567 1.042726       0.9803513 1.256153       1.347045  0.8023774      1.429477  180.6965 78.66430 168.2995 76.56156 12.39708       109.7713 
1 1 1 2   30 3  o 132.1288 44.05661 -0.2675480     0.7723475 0.9422143E-01  1.084380  -0.6400328     1.100323  140.3424 64.88245 123.9152 59.61718 16.42722       88.11322 
1 1 1 2   30 4  o 230.0294 60.15249 2.767132       1.088943  3.579291       1.351283  1.262756       1.839095  280.3331 86.53575 179.7256 83.57543 100.6075       120.3050 
1 1 1 2   30 5  o 181.1181 54.61688 1.263812       0.9422190 2.096293       1.289248  0.3094313      1.380416  209.3673 82.56236 152.8689 71.52254 56.49832       109.2338 
1 1 1 2   30 6  o 140.1400 49.92319 -2.434233      1.625490  -1.847762      2.055207  -3.413956      2.656342  139.1649 69.61588 141.1151 71.57462 -1.950180      99.84637 
1 1 1 2   30 7  o 141.1943 46.49367 0.1409274      0.7618598 0.7014514      1.301343  -0.1513698     0.9397383 157.6983 72.23729 124.6903 58.55271 33.00798       92.98734 
1 1 1 2   30 8  o 191.5533 51.75732 1.672032       0.8767485 -0.1623315     1.458031  2.711001       1.097300  139.8838 67.62383 243.2227 78.37281 -103.3389      103.5146 
1 1 1 2   30 9  o 164.1709 53.05038 1.281090       0.9821199 1.393324       1.451158  1.186237       1.334072  166.4698 76.26514 161.8720 73.76312 4.597809       106.1008 
1 1 1 2   31 0  o 142.1590 48.21889 -0.1520762     0.9940300 -0.7817637     1.346874  0.6012053      1.473137  128.0132 62.58648 156.3047 73.37014 -28.29147      96.43777 
1 1 1 2   31 1  o 141.7762 49.23735 -0.9255799     0.9852367 -1.974177      1.165302  1.702943       1.844973  103.8234 52.00776 179.7290 83.62094 -75.90563      98.47471 
1 1 1 2   31 2  o 151.3178 49.86144 -0.1442097E-01 0.9549012 -1.411866      1.262285  1.855267       1.460073  115.2106 57.12762 187.4249 81.73792 -72.21430      99.72288 
1 1 1 2   31 3  o 142.9759 48.94657 -0.8704865E-01 1.039502  -0.2676660     1.290956  0.2460011      1.753018  133.6997 64.38558 152.2522 73.73985 -18.55243      97.89314 
1 1 1 2   31 4  o 140.9132 47.66599 0.2061782E-01  0.9824110 0.5050917      1.260653  -0.7285730     1.567677  148.1975 69.00779 133.6289 65.77319 14.56862       95.33199 
1 1 1 2   31 5  o 141.9027 47.87366 -0.2541403E-01 1.043028  -2.135987      1.807287  1.028631       1.277193  123.9747 62.45036 159.8307 72.57755 -35.85596      95.74731 
1 1 1 2   31 6  o 157.1295 52.91439 0.6666797      1.036999  2.582581       1.870525  -0.1834539     1.246007  184.6444 85.31173 129.6146 62.62299 55.02983       105.8288 
1 1 1 2   31 7  o 151.4024 48.64569 0.8377714      0.8131033 1.736496       1.243499  0.1664969      1.074687  173.4305 75.53928 129.3743 61.31419 44.05620       97.29137 
1 1 1 2   32 0  o 117.6999 58.06896 -0.6200947     1.165461  -0.7729957     1.246310  0.4450086      3.289402  117.6999 58.06896 ?        ?        ?              ?        
1 1 1 2   32 1  o 114.4187 40.75582 -1.409790      0.9417986 -1.486784      1.113290  -1.216013      1.766161  102.7358 51.36930 126.1017 63.28777 -23.36593      81.51163 
1 1 1 2   32 2  o 134.6835 47.35624 -0.2572115     1.129561  -0.6815405     1.352949  0.7190620      2.052182  121.3629 59.99148 148.0042 73.29034 -26.64120      94.71247 
1 1 1 2   32 3  o 163.2543 75.00240 1.654356       1.417075  1.654356       1.417075  0.000000       0.000000  163.2543 75.00240 ?        ?        ?              ?        
1 1 1 2   32 4  o 135.4355 45.87563 0.1713637      0.9367385 1.547859       1.309859  -1.269547      1.340157  159.4342 72.82201 111.4368 55.81439 47.99731       91.75125 
1 1 1 3   0  0  o 1462.569 35.70933 54.34426       3.729248  54.34426       3.729248  54.34426       3.729248  1462.569 50.50061 1462.569 50.50061 0.000000       0.000000 
1 1 1 3   0  1  o 14348.52 219.9753 5227.890       225.7451  5227.890       225.7451  5227.890       225.7451  14348.52 311.0920 14348.52 311.0920 0.000000       0.000000 
1 1 1 3   0  2  o 7226.305 113.2561 1324.500       58.53218  1324.500       58.53218  1324.500       58.53218  7226.305 160.1684 7226.305 160.1684 0.000000       0.000000 
1 1 1 3   0  3  o 2505.721 66.97796 159.6545       11.97712  159.6545       11.97712  159.6545       11.97712  2505.721 94.72114 2505.721 94.72114 0.000000       0.000000 
1 1 1 3   0  4  o 2062.933 42.05849 108.0152       6.200404  108.0152       6.200404  108.0152       6.200404  2062.933 59.47969 2062.933 59.47969 0.000000       0.000000 
1 1 1 3   0  5  o 2946.358 52.76110 220.4665       11.11394  220.4665       11.11394  220.4665       11.11394  2946.358 74.61546 2946.358 74.61546 0.000000       0.000000 
1 1 1 3   0  6  o ?        ?        637.9876       29.08217  637.9876       29.08217  637.9876       29.08217  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 3   0  7  o 4671.726 77.02337 558.9453       25.73149  558.9453       25.73149  558.9453       25.73149  4671.726 108.9275 4671.726 108.9275 0.000000       0.000000 
1 1 1 3   0  8  o 5088.257 82.58414 659.1121       30.05020  659.1121       30.05020  659.1121       30.05020  5088.257 116.7916 5088.257 116.7916 0.000000       0.000000 
1 1 1 3   0  9  o 1588.989 53.40662 64.48788       6.044672  64.48788       6.044672  64.48788       6.044672  1588.989 75.52837 1588.989 75.52837 0.000000       0.000000 
1 1 1 3   0  10 o 2408.951 66.33275 148.5661       11.40135  148.5661       11.40135  148.5661       11.40135  2408.951 93.80867 2408.951 93.80867 0.000000       0.000000 
1 1 1 3   0  11 o 5482.669 89.11321 772.1882       34.93931  772.1882       34.93931  772.1882       34.93931  5482.669 126.0251 5482.669 126.0251 0.000000       0.000000 
1 1 1 3   0  12 o 3281.317 57.81474 274.4077       13.56362  274.4077       13.56362  274.4077       13.56362  3281.317 81.76238 3281.317 81.76238 0.000000       0.000000 
1 1 1 3   0  13 o 544.3817 35.48831 7.708937       1.356181  7.708937       1.356181  7.708937       1.356181  544.3817 50.18805 544.3817 50.18805 0.000000       0.000000 
1 1 1 3   0  14 o 1054.993 48.80991 28.72619       3.650650  28.72619       3.650650  28.72619       3.650650  1054.993 69.02764 1054.993 69.02764 0.000000       0.000000 
1 1 1 3   0  15 o 1475.824 53.54369 56.16986       5.623724  56.16986       5.623724  56.16986       5.623724  1475.824 75.72221 1475.824 75.72221 0.000000       0.000000 
1 1 1 3   0  16 o 1271.270 52.07922 41.90438       4.703837  41.90438       4.703837  41.90438       4.703837  1271.270 73.65114 1271.270 73.65114 0.000000       0.000000 
1 1 1 3   0  17 o 1951.504 61.18103 99.91543       8.510156  99.91543       8.510156  99.91543       8.510156  1951.504 86.52304 1951.504 86.52304 0.000000       0.000000 
1 1 1 3   0  18 o 1405.029 55.24375 52.20795       5.518054  52.20795       5.518054  52.20795       5.518054  1405.029 78.12646 1405.029 78.12646 0.000000       0.000000 
1 1 1 3   0  19 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 3   0  20 o 969.3785 56.00216 25.75541       3.827152  25.75541       3.827152  25.75541       3.827152  969.3785 79.19901 969.3785 79.19901 0.000000       0.000000 
1 1 1 3   0  21 o 153.3628 65.39748 0.8228343      1.309049  0.8228343      1.309049  0.8228343      1.309049  153.3628 92.48599 153.3628 92.48599 0.000000       0.000000 
1 1 1 3   0  22 o 131.5838 58.60193 0.4545491      1.165179  0.4545491      1.165179  0.4545491      1.165179  131.5838 82.87565 131.5838 82.87565 0.000000       0.000000 
1 1 1 3   0  23 o 192.5966 73.22383 1.801438       1.394691  1.801438       1.394691  1.801438       1.394691  192.5966 103.5541 192.5966 103.5541 0.000000       0.000000 
1 1 1 3   1  0  o 2580.836 58.66790 168.5151       7.228587  169.0407       12.52477  168.2525       8.851588  2583.750 95.74928 2577.922 67.82156 5.828613       117.3358 
1 1 1 3   1  1  o 11932.52 183.6387 3613.118       110.9379  3616.539       156.8899  3609.697       156.8898  11938.18 259.5812 11926.85 259.8275 11.32617       367.2774 
1 1 1 3   1  2  o 10805.54 166.3880 2962.466       91.02101  2938.608       128.7226  2986.324       128.7237  10761.93 236.2550 10849.15 234.3576 -87.22363      332.7760 
1 1 1 3   1  3  o 1573.290 45.54045 63.59041       3.397175  65.39356       4.165229  60.00767       5.871253  1607.159 51.19135 1539.421 75.33376 67.73743       91.08089 
1 1 1 3   1  4  o 2128.944 60.12547 114.7774       6.480467  0.000000       0.000000  114.7774       6.480467  ?        ?        2128.944 60.12547 ?              ?        
1 1 1 3   1  5  o 393.2590 43.04345 4.226557       0.7546840 4.599689       0.9205398 3.461683       1.317971  423.8333 43.51836 362.6847 74.27724 61.14859       86.08691 
1 1 1 3   1  6  o ?        ?        77.67867       3.427128  78.63311       4.848997  76.72605       4.844388  ?        ?        ?        ?        ?              ?        
1 1 1 3   1  7  o 4584.903 76.10677 540.9264       17.66339  530.3633       24.97613  551.4958       24.98350  4539.395 108.6785 4630.413 106.5736 -91.01807      152.2135 
1 1 1 3   1  8  f 857.5635 32.19210 18.69346       1.392083  19.31422       1.970899  18.07546       1.966514  871.8671 44.80230 843.2598 46.23936 28.60724       64.38419 
1 1 1 3   1  9  o 295.1209 51.62525 2.273908       0.7795072 1.642613       1.071281  2.984252       1.136376  253.5703 76.81927 336.6715 68.98888 -83.10117      103.2505 
1 1 1 3   1  10 o 2583.062 69.13859 171.2181       9.033613  179.4907       12.78294  162.9648       12.76799  2646.227 95.41573 2519.897 100.0821 126.3303       138.2772 
1 1 1 3   1  11 o 1872.525 40.45251 89.16730       3.834914  89.39582       5.423547  88.93881       5.423230  1874.935 57.13648 1870.115 57.28040 4.820313       80.90501 
1 1 1 3   1  12 o 4212.865 70.65580 454.9320       15.05933  435.3132       21.28843  474.5828       21.30580  4120.827 102.0412 4304.903 97.75768 -184.0762      141.3116 
1 1 1 3   1  13 o 1598.035 37.96663 64.93555       3.071463  64.09895       4.343290  65.77248       4.344119  1587.693 54.03419 1608.377 53.34948 -20.68396      75.93327 
1 1 1 3   1  14 o 324.9186 59.36080 2.783424       0.9881559 2.291873       1.346109  3.357863       1.455183  295.2678 85.27683 354.5695 82.59953 -59.30170      118.7216 
1 1 1 3   1  15 o 293.6786 64.35730 2.083642       1.108063  1.078109       1.510925  3.253774       1.629904  239.2308 90.69206 348.1266 91.33672 -108.8958      128.7146 
1 1 1 3   1  16 o 1149.948 45.39892 34.63571       2.449890  35.72168       2.993914  32.43487       4.262123  1182.368 50.01532 1117.528 75.78072 64.84021       90.79784 
1 1 1 3   1  17 o 1864.780 41.71603 89.72398       3.938243  90.10977       5.557398  89.33482       5.581716  1868.963 58.73368 1860.597 59.25591 8.365479       83.43206 
1 1 1 3   1  18 o 960.9320 36.66417 23.91277       1.777063  24.09925       2.516389  23.72725       2.509916  964.7396 51.70919 957.1244 51.99236 7.615234       73.32834 
1 1 1 3   1  19 o 589.0129 57.56905 9.474755       1.666203  9.487448       2.443994  9.463733       2.277537  587.7370 84.57144 590.2888 78.13100 -2.551819      115.1381 
1 1 1 3   1  20 o 339.2599 107.7161 3.359977       2.078641  3.359977       2.078641  0.000000       0.000000  339.2599 107.7161 ?        ?        ?              ?        
1 1 1 3   1  21 o 243.2906 56.85662 1.232693       1.061826  -1.502643      1.687486  3.025589       1.366194  164.2766 77.54742 322.3045 83.16910 -158.0279      113.7132 
1 1 1 3   1  22 o 454.9561 51.11239 5.891198       1.135791  6.193546       1.592807  5.578422       1.620041  469.0892 69.14290 440.8230 75.29386 28.26624       102.2248 
1 1 1 3   1  23 o 220.0442 59.17348 1.147918       0.9263048 1.740139       1.368091  0.6466038      1.258718  246.0256 87.42748 194.0628 79.76491 51.96284       118.3470 
1 1 1 3   2  0  o 6066.008 135.9044 932.7372       41.73513  942.6567       59.02409  922.8188       59.02069  6098.306 191.1773 6033.710 193.2129 64.59570       271.8088 
1 1 1 3   2  1  o 3751.196 89.50749 356.4214       16.99849  357.8096       24.03968  355.0333       24.03931  3758.505 126.3368 3743.886 126.8282 14.61890       179.0150 
1 1 1 3   2  2  o 7392.373 140.6239 1377.761       49.75811  1361.578       60.94522  1410.113       86.17162  7329.694 164.2367 7455.052 228.3126 -125.3584      281.2478 
1 1 1 3   2  3  o 10942.90 205.8754 3037.410       107.6827  3016.994       131.8871  3078.235       186.5026  10897.46 239.0527 10988.35 335.2499 -90.89160      411.7508 
1 1 1 3   2  4  o 8353.736 182.6860 1774.722       77.26265  0.000000       0.000000  1774.722       77.26265  ?        ?        8353.736 182.6860 ?              ?        
1 1 1 3   2  5  o 654.3514 40.18306 11.28587       1.211699  11.88413       1.477891  10.05900       2.116395  683.2695 42.94190 625.4333 67.93162 57.83618       80.36611 
1 1 1 3   2  6  o ?        ?        743.7822       23.73431  736.4774       33.56723  751.0853       33.56355  ?        ?        ?        ?        ?              ?        
1 1 1 3   2  7  o 2243.110 44.14344 127.9313       5.011302  123.9588       7.082156  131.9147       7.091954  2208.087 63.35277 2278.132 61.48983 -70.04517      88.28688 
1 1 1 3   2  8  o 1059.264 32.92986 28.44162       1.764946  27.23383       2.487780  29.66554       2.504324  1036.596 47.40441 1081.932 45.72006 -45.33594      65.85971 
1 1 1 3   2  9  o 2220.290 44.14855 125.1657       4.962594  124.8141       7.015330  125.5178       7.021009  2217.163 62.49811 2223.417 62.37277 -6.253906      88.29710 
1 1 1 3   2  10 o 1542.284 37.24340 60.49828       2.904214  56.85353       4.102193  64.16079       4.112183  1495.499 54.18091 1589.069 51.11471 -93.57007      74.48681 
1 1 1 3   2  11 o 738.5330 40.93159 13.96884       1.416794  13.91417       2.491681  13.99496       1.722321  736.0294 67.62357 741.0367 46.13710 -5.007324      81.86317 
1 1 1 3   2  12 o 886.7431 41.99583 20.16286       1.758093  19.83438       3.055200  20.32548       2.149672  879.9265 69.13865 893.5597 47.69115 -13.63318      83.99165 
1 1 1 3   2  13 o 2511.131 58.52909 160.2320       7.027392  157.9359       8.596567  164.8570       12.20079  2488.574 68.23244 2533.688 95.11546 -45.11450      117.0582 
1 1 1 3   2  14 o 893.4720 43.24847 20.55640       1.802741  20.70089       2.181911  20.24561       3.200059  900.6774 48.02360 886.2666 71.94064 14.41077       86.49695 
1 1 1 3   2  15 o 1252.791 35.72544 40.02116       2.265836  39.62837       3.199670  40.41627       3.209101  1246.593 50.69870 1258.989 50.34751 -12.39539      71.45089 
1 1 1 3   2  16 o 720.3502 35.31343 13.32357       1.279655  13.00658       1.804589  13.64418       1.814867  711.5956 50.41761 729.1047 49.45926 -17.50916      70.62686 
1 1 1 3   2  17 o 250.1609 51.16845 1.595792       0.7065643 1.006556       0.9534631 2.313519       1.052297  207.8818 73.07865 292.4400 71.64043 -84.55817      102.3369 
1 1 1 3   2  18 o 351.5204 49.20441 3.330530       0.8437287 2.942500       1.155919  3.773015       1.234366  328.6669 71.50246 374.3738 67.61430 -45.70691      98.40882 
1 1 1 3   2  19 o 479.7864 44.60206 6.159718       1.047902  7.015391       1.490010  5.322295       1.474034  515.1382 58.15004 444.4345 67.64574 70.70374       89.20412 
1 1 1 3   2  20 o 586.1809 51.84182 9.485517       1.400290  9.739264       1.721359  8.989090       2.407677  606.2979 56.73897 566.0640 86.78127 40.23395       103.6836 
1 1 1 3   2  21 o 443.1868 48.84592 5.483818       1.052794  5.062009       1.537115  5.856540       1.444910  423.7567 74.36048 462.6169 63.35782 -38.86017      97.69183 
1 1 1 3   2  22 o 426.9372 60.65258 6.202137       1.256909  8.328205       1.603174  2.810598       2.024840  552.5283 58.18624 301.3462 106.4392 251.1821       121.3052 
1 1 1 3   2  23 o 517.9799 62.50612 7.830753       1.465765  9.022606       2.673872  7.318738       1.752553  530.0472 103.3548 505.9126 70.32664 24.13458       125.0122 
1 1 1 3   3  0  o 10373.20 226.5714 2735.331       118.9815  2766.932       168.2675  2703.730       168.2631  10433.37 318.5604 10313.03 322.2694 120.3457       453.1427 
1 1 1 3   3  1  o 2429.224 65.32310 149.4646       8.031164  153.8735       11.35988  145.0590       11.35568  2465.059 91.02544 2393.388 93.71659 71.67114       130.6462 
1 1 1 3   3  2  o 1353.147 49.03759 46.47799       3.347902  47.07161       4.763365  45.89847       4.706446  1361.709 69.32413 1344.585 69.37511 17.12366       98.07519 
1 1 1 3   3  3  o 7069.772 135.3530 1261.395       45.80664  1292.374       79.32570  1245.898       56.10632  7131.138 219.7209 7008.407 158.1280 122.7305       270.7060 
1 1 1 3   3  4  o 2659.985 48.90486 179.3128       6.584627  175.1965       9.309769  183.4332       9.314370  2629.404 69.93554 2690.566 68.37954 -61.16235      97.80972 
1 1 1 3   3  5  o 3062.390 55.32591 243.6053       8.577158  246.8092       12.13078  240.4022       12.12908  3083.046 77.71864 3041.733 78.76318 41.31372       110.6518 
1 1 1 3   3  6  o ?        ?        91.05715       3.860890  92.52016       5.465953  89.60036       5.454311  ?        ?        ?        ?        ?              ?        
1 1 1 3   3  7  o 1328.967 34.89164 44.80793       2.346974  43.61693       3.317698  46.00097       3.320550  1311.252 49.97665 1346.683 48.70359 -35.43115      69.78328 
1 1 1 3   3  8  o 1477.918 51.19263 55.44421       3.830116  56.32652       5.447455  54.58162       5.386267  1489.554 72.23602 1466.282 72.55825 23.27222       102.3853 
1 1 1 3   3  9  o 3820.140 92.06867 372.1011       17.80634  0.000000       0.000000  372.1011       17.80634  ?        ?        3820.140 92.06867 ?              ?        
1 1 1 3   3  10 o 3266.268 82.18385 275.6224       13.58439  284.7548       19.21664  266.5003       19.20582  3321.444 114.2791 3211.091 118.1399 110.3533       164.3677 
1 1 1 3   3  11 o 3353.153 71.21779 285.7697       11.43379  280.2344       13.99180  296.8959       19.83709  3311.799 83.44991 3394.508 115.4297 -82.70923      142.4356 
1 1 1 3   3  12 o 687.1908 34.26347 12.08576       1.179748  13.13823       1.657733  11.00572       1.679306  718.0331 45.84150 656.3486 50.93622 61.68451       68.52694 
1 1 1 3   3  13 o 577.6970 34.75211 8.550843       1.005584  8.930855       1.415662  8.163830       1.428647  590.9389 47.72601 564.4551 50.52786 26.48383       69.50423 
1 1 1 3   3  14 o 1991.715 60.45071 102.1740       6.094342  103.8819       8.588650  100.4419       8.649070  2008.893 84.44704 1974.536 86.52081 34.35669       120.9014 
1 1 1 3   3  15 o 1596.359 46.29631 63.94178       3.556864  69.77329       6.172790  61.04315       4.351984  1646.896 74.03407 1545.821 55.60892 101.0754       92.59263 
1 1 1 3   3  16 o 869.1915 35.30806 19.37100       1.546123  20.35153       2.207537  18.42691       2.166148  891.0236 49.12657 847.3593 50.72688 43.66431       70.61612 
1 1 1 3   3  17 o 768.3039 36.23323 15.23003       1.400798  15.80645       2.001961  14.67710       1.960739  782.7299 50.79410 753.8779 51.68509 28.85205       72.46646 
1 1 1 3   3  18 o 381.5729 48.72218 3.859526       0.8996102 3.082235       1.197415  4.866820       1.363111  336.1132 72.49876 427.0327 65.11016 -90.91953      97.44436 
1 1 1 3   3  19 o 327.1252 63.39678 2.881917       0.9950423 3.317994       1.915896  2.720843       1.164399  340.7712 102.6187 313.4792 74.47154 27.29202       126.7936 
1 1 1 3   3  20 o 164.4524 50.57262 -0.7527830E-01 0.7740011 -0.2056453     1.007702  0.1122881      1.208720  151.6283 66.95438 177.2765 75.81209 -25.64824      101.1452 
1 1 1 3   3  21 o 163.9231 51.43335 -0.2116124     0.8520322 0.3889840E-01  1.121898  -0.5530093     1.309694  166.7881 72.19783 161.0582 73.27368 5.729904       102.8667 
1 1 1 3   3  22 o 293.0570 63.16845 2.597155       1.018812  2.651728       1.520912  2.552734       1.372175  294.9499 91.93225 291.1641 86.65721 3.785797       126.3369 
1 1 1 3   3  23 o 193.0692 60.39051 0.1706841      1.083588  0.2875611      1.282014  -0.1216762     2.027623  181.3884 77.83681 204.7500 92.35521 -23.36162      120.7810 
1 1 1 3   4  0  o 6433.288 203.1064 1049.770       66.15160  1049.770       66.15160  0.000000       0.000000  6433.288 203.1064 ?        ?        ?              ?        
1 1 1 3   4  1  o 677.1106 62.69567 11.70774       2.124829  11.70774       2.124829  0.000000       0.000000  677.1106 62.69567 ?        ?        ?              ?        
1 1 1 3   4  2  o 5511.294 124.7515 770.5715       34.80717  777.7606       49.22513  763.3825       49.22442  5537.060 175.5998 5485.529 177.2468 51.53027       249.5029 
1 1 1 3   4  3  o 6171.713 119.5755 963.8031       35.29361  979.3053       61.10983  956.0442       43.23292  6205.259 194.5214 6138.167 139.1209 67.09277       239.1510 
1 1 1 3   4  4  f 1779.971 39.08257 80.30880       3.520810  82.71154       4.982679  77.91280       4.975683  1806.595 54.47767 1753.347 56.05331 53.24829       78.16515 
1 1 1 3   4  5  o ?        ?        215.5516       8.880632  216.7030       15.40361  214.9784       10.86879  ?        ?        ?        ?        ?              ?        
1 1 1 3   4  6  o ?        ?        83.80152       5.134917  88.18423       7.273730  79.44728       7.250067  ?        ?        ?        ?        ?              ?        
1 1 1 3   4  7  f 1144.339 40.32616 32.87964       2.200669  34.47477       3.838719  32.09876       2.685846  1163.464 65.43600 1125.213 47.14793 38.25098       80.65232 
1 1 1 3   4  8  o 3258.072 80.91981 269.7150       13.34748  269.7150       13.34748  0.000000       0.000000  3258.072 80.91981 ?        ?        ?              ?        
1 1 1 3   4  9  o 773.0035 39.55238 15.28793       1.459532  15.13605       2.479772  15.36843       1.805362  769.0165 64.28259 776.9905 46.10112 -7.973938      79.10477 
1 1 1 3   4  10 o 2769.538 62.76059 195.9626       8.298450  198.4379       14.39261  194.7299       10.15669  2776.980 102.3725 2762.097 72.63229 14.88330       125.5212 
1 1 1 3   4  11 o 3700.954 78.02930 351.4769       13.77706  349.9933       16.86166  354.4565       23.89585  3698.889 90.04206 3703.020 127.4626 -4.131348      156.0586 
1 1 1 3   4  12 o 2170.041 43.93189 119.8066       4.826113  121.6108       6.828722  118.0062       6.821594  2186.440 61.69048 2153.642 62.56460 32.79834       87.86378 
1 1 1 3   4  13 o 1164.314 42.40134 34.31848       2.365410  33.72874       2.906789  35.47452       4.069805  1151.742 49.85110 1176.886 68.60293 -25.14465      84.80268 
1 1 1 3   4  14 o 1015.803 41.77942 26.12283       2.026356  27.26792       3.512433  25.55159       2.480823  1029.886 67.74321 1001.721 48.91764 28.16486       83.55883 
1 1 1 3   4  15 o 522.7300 47.57272 6.904005       1.145006  7.727764       2.074432  6.543076       1.373124  542.2727 77.78891 503.1872 54.78632 39.08551       95.14545 
1 1 1 3   4  16 o 1148.604 47.81923 35.75797       2.519748  38.66413       3.076349  29.83409       4.392163  1229.530 49.42116 1067.679 81.87956 161.8503       95.63845 
1 1 1 3   4  17 o 299.6758 54.16508 2.471475       0.8365512 1.900302       1.225010  2.970601       1.145148  267.6980 82.35332 331.6537 70.38005 -63.95566      108.3302 
1 1 1 3   4  18 o 681.2980 45.14686 11.73845       1.465246  10.70859       1.784051  13.87291       2.568387  640.1446 55.60077 722.4513 71.14430 -82.30670      90.29372 
1 1 1 3   4  19 o 292.0834 63.99897 2.439996       1.075901  1.433989       1.813550  2.986358       1.336502  257.6303 98.95285 326.5364 81.18993 -68.90610      127.9979 
1 1 1 3   4  20 f 261.9480 66.12883 1.615370       1.061963  2.462569       1.842301  1.193785       1.299602  297.0086 101.7357 226.8873 84.50996 70.12132       132.2577 
1 1 1 3   4  21 o 214.3046 58.63226 0.2310346      0.8967019 -0.6126763     1.054813  2.429686       1.702773  140.7603 64.68336 287.8489 97.81119 -147.0886      117.2645 
1 1 1 3   4  22 o 318.2399 62.34335 3.131655       1.065208  3.787354       1.449345  2.361413       1.570842  356.7059 81.97543 279.7738 93.95107 76.93216       124.6867 
1 1 1 3   4  23 o 237.4873 64.48699 1.456769       1.167909  2.238316       1.470104  0.1195347      1.922979  269.5287 90.88675 205.4458 91.50895 64.08293       128.9740 
1 1 1 3   5  0  o 923.0830 64.13325 21.67964       2.978540  21.67964       2.978540  0.000000       0.000000  923.0830 64.13325 ?        ?        ?              ?        
1 1 1 3   5  1  o 1003.011 65.09660 25.58219       3.287709  25.58219       3.287709  0.000000       0.000000  1003.011 65.09660 ?        ?        ?              ?        
1 1 1 3   5  2  o 6014.321 191.3715 919.5053       58.27033  0.000000       0.000000  919.5053       58.27033  ?        ?        6014.321 191.3715 ?              ?        
1 1 1 3   5  3  o 2081.028 51.74781 110.2384       5.121153  108.4187       8.896235  111.1404       6.262927  2067.631 84.98640 2094.425 59.06482 -26.79346      103.4956 
1 1 1 3   5  4  o 3045.374 67.88564 240.6579       9.848346  241.4182       17.08914  240.2798       12.05069  3035.822 111.1886 3054.925 77.91618 -19.10278      135.7713 
1 1 1 3   5  5  o ?        ?        59.35298       4.028894  58.37340       5.693290  60.33561       5.702154  ?        ?        ?        ?        ?              ?        
1 1 1 3   5  6  o 1656.484 46.88186 70.04593       3.692899  70.20547       4.510718  69.72163       6.431052  1661.415 53.62704 1651.553 76.91409 9.862305       93.76373 
1 1 1 3   5  7  o 3348.912 58.49632 285.0524       9.917588  287.3405       14.02896  282.7665       14.02221  3362.397 82.41246 3335.426 83.03892 26.97144       116.9926 
1 1 1 3   5  8  o 1837.932 39.86479 85.72243       3.706340  81.59651       5.235349  89.86799       5.247787  1793.489 57.65847 1882.374 55.06639 -88.88464      79.72958 
1 1 1 3   5  9  o 1856.412 40.21921 87.58665       3.779284  85.53447       5.339977  89.64615       5.349464  1834.544 57.49466 1878.280 56.25569 -43.73535      80.43842 
1 1 1 3   5  10 o 931.2381 42.40564 22.62741       1.843296  20.80769       3.215843  23.51782       2.249510  900.2463 71.13816 962.2299 46.17698 -61.98352      84.81127 
1 1 1 3   5  11 o 1850.055 49.78130 87.62552       4.372759  88.47194       5.343213  85.90904       7.608996  1865.706 56.56862 1834.404 81.93108 31.30188       99.56260 
1 1 1 3   5  12 o 2085.549 43.00174 110.6676       4.539678  108.2904       6.411389  113.0578       6.428794  2062.987 61.38637 2108.111 60.23548 -45.12354      86.00349 
1 1 1 3   5  13 o 1832.118 48.98918 85.34648       4.295066  84.48916       5.263620  87.05477       7.430077  1821.148 57.08942 1843.087 79.62762 -21.93909      97.97836 
1 1 1 3   5  14 o 1214.357 43.39877 37.64526       2.520417  38.11544       4.329992  37.40432       3.099653  1217.187 70.56899 1211.528 50.53544 5.659302       86.79754 
1 1 1 3   5  15 o 2688.049 62.18952 186.7405       7.985017  189.9581       13.83207  185.1323       9.779037  2694.413 101.4003 2681.685 72.02857 12.72803       124.3790 
1 1 1 3   5  16 o 1385.520 47.50247 50.41457       3.085315  51.79443       3.760324  47.57199       5.397133  1421.581 52.24805 1349.459 79.34784 72.12207       95.00494 
1 1 1 3   5  17 o 558.7985 39.81699 8.144167       1.109804  8.139918       1.534326  8.148829       1.607210  559.0438 54.92004 558.5531 57.66594 0.4907227      79.63398 
1 1 1 3   5  18 o 475.7339 57.19629 6.762607       1.201267  7.876916       1.481958  4.627597       2.051318  548.5475 54.06572 402.9202 100.8095 145.6274       114.3926 
1 1 1 3   5  19 o 213.9962 54.11679 0.2475599      1.010489  -2.807862      1.585709  2.336680       1.311202  138.6982 67.83128 289.2943 84.34113 -150.5961      108.2336 
1 1 1 3   5  20 o 328.7940 63.96715 3.393651       1.201392  1.301642       2.040100  4.504303       1.486478  256.3610 102.9429 401.2270 75.96018 -144.8661      127.9343 
1 1 1 3   5  21 o 430.4653 64.70692 5.690063       1.284005  5.966486       1.550752  5.087373       2.289821  462.4954 68.28313 398.4353 109.9334 64.06015       129.4138 
1 1 1 3   5  22 o 280.6794 59.42805 2.368660       0.9875721 3.376822       1.342276  1.178858       1.458189  337.0595 79.88064 224.2992 88.01055 112.7602       118.8561 
1 1 1 3   5  23 o 253.2183 71.83356 1.640301       1.291377  1.409497       1.520958  2.236436       2.444379  231.5257 90.15208 274.9109 111.8608 -43.38515      143.6671 
1 1 1 3   6  0  o 449.8452 66.54744 5.236692       1.469839  5.236692       1.469839  0.000000       0.000000  449.8452 66.54744 ?        ?        ?              ?        
1 1 1 3   6  1  o 2986.647 106.6433 226.2274       16.12505  0.000000       0.000000  226.2274       16.12505  ?        ?        2986.647 106.6433 ?              ?        
1 1 1 3   6  2  o 4293.061 142.3852 469.1844       30.94678  0.000000       0.000000  469.1844       30.94678  ?        ?        4293.061 142.3852 ?              ?        
1 1 1 3   6  3  o 433.7455 48.62704 4.903576       1.031886  5.012807       1.453969  4.792726       1.464705  438.9189 67.60149 428.5721 69.91706 10.34677       97.25409 
1 1 1 3   6  4  o ?        ?        165.7118       6.157884  165.6207       8.710320  165.8028       8.706808  ?        ?        ?        ?        ?              ?        
1 1 1 3   6  5  o ?        ?        371.6498       12.47607  371.6783       17.64402  371.6212       17.64363  ?        ?        ?        ?        ?              ?        
1 1 1 3   6  6  o 2577.805 58.43267 166.8930       7.218743  162.3105       8.822892  176.1728       12.55527  2527.204 68.95838 2628.406 94.35172 -101.2021      116.8653 
1 1 1 3   6  7  f 1950.855 49.73047 96.30012       4.648647  95.64750       5.707207  97.58662       8.013083  1941.951 58.04993 1959.760 80.76314 -17.80859      99.46094 
1 1 1 3   6  8  o 2266.449 54.32813 130.0736       5.896099  132.4403       10.18679  128.8813       7.230302  2280.158 88.24471 2252.740 63.39600 27.41895       108.6563 
1 1 1 3   6  9  o 1650.784 38.25767 69.30876       3.192070  64.32441       4.489556  74.40439       4.539393  1590.517 55.75468 1711.051 52.40240 -120.5339      76.51534 
1 1 1 3   6  10 o 1023.251 33.93533 26.60043       1.757891  26.84143       2.480809  26.35739       2.491290  1027.930 47.67010 1018.571 48.31135 9.358887       67.87065 
1 1 1 3   6  11 o 1169.671 44.17533 35.68596       2.412058  37.15149       2.940147  32.66926       4.218295  1209.674 48.00837 1129.667 74.16896 80.00781       88.35065 
1 1 1 3   6  12 o 2390.781 46.41383 145.6285       5.617470  147.5578       7.942860  143.6978       7.945744  2406.729 65.18777 2374.833 66.08729 31.89624       92.82766 
1 1 1 3   6  13 o 1099.846 34.60900 30.78383       1.926746  30.26873       2.734047  31.29205       2.715707  1090.638 49.51557 1109.054 48.36672 -18.41589      69.21799 
1 1 1 3   6  14 o 973.4910 34.28814 24.21562       1.681026  26.53618       2.387032  21.93241       2.367747  1020.831 46.18711 926.1511 50.68982 94.67975       68.57629 
1 1 1 3   6  15 o 1091.856 35.52721 30.47607       1.961772  31.75630       2.756438  29.16198       2.792645  1115.385 48.81347 1068.326 51.63310 47.05884       71.05443 
1 1 1 3   6  16 o 902.2705 45.41948 21.89705       1.891592  23.31412       2.313328  19.03783       3.285984  953.0267 48.10093 851.5144 77.05853 101.5123       90.83896 
1 1 1 3   6  17 o 1451.966 38.84236 54.65341       2.843704  59.95334       4.010083  49.29213       4.033226  1524.570 51.95439 1379.362 57.75516 145.2086       77.68472 
1 1 1 3   6  18 o 903.0856 37.30042 21.29099       1.690604  23.37823       2.385170  19.18367       2.396621  949.1775 49.80899 856.9937 55.53693 92.18384       74.60085 
1 1 1 3   6  19 o 671.2881 40.13087 11.83814       1.347966  11.02539       1.835035  12.79069       1.986595  646.2668 56.65723 696.3094 56.84987 -50.04266      80.26175 
1 1 1 3   6  20 o 694.6948 51.32534 13.66682       1.658213  11.70818       2.738837  14.80026       2.083477  642.8211 86.34026 746.5685 55.52047 -103.7474      102.6507 
1 1 1 3   6  21 o 273.1053 62.52518 2.197153       1.236645  3.597810       1.461779  -1.328766      2.319273  348.0793 83.92831 198.1312 92.70184 149.9482       125.0504 
1 1 1 3   6  22 o 478.2448 54.32639 6.654859       1.267794  7.114073       1.787196  6.189702       1.798723  497.9957 73.05872 458.4940 80.42294 39.50165       108.6528 
1 1 1 3   6  23 o 297.1046 61.76212 2.290843       1.210838  5.287604       1.834760  -0.2133637E-01 1.611625  407.7785 91.16272 186.4307 83.35223 221.3478       123.5242 
1 1 1 3   7  0  o 4103.246 137.2882 429.3110       28.51966  0.000000       0.000000  429.3110       28.51966  ?        ?        4103.246 137.2882 ?              ?        
1 1 1 3   7  1  o 348.1217 72.53369 3.191668       1.236882  0.000000       0.000000  3.191668       1.236882  ?        ?        348.1217 72.53369 ?              ?        
1 1 1 3   7  2  o 892.8069 46.12803 20.54639       2.067136  19.20297       2.917531  21.90062       2.929248  862.8340 67.32171 922.7799 63.07907 -59.94592      92.25607 
1 1 1 3   7  3  o ?        ?        585.8285       26.88392  606.4084       38.02286  565.2556       38.01637  ?        ?        ?        ?        ?              ?        
1 1 1 3   7  4  o ?        ?        219.1179       7.840707  220.9841       11.08915  217.2522       11.08772  ?        ?        ?        ?        ?              ?        
1 1 1 3   7  5  f 2163.604 43.28830 119.1166       4.739398  123.4323       6.705435  114.8084       6.699610  2202.965 60.12231 2124.244 62.29620 78.72144       86.57660 
1 1 1 3   7  6  o 2019.888 51.09682 103.8941       4.910448  102.7920       8.533618  104.4397       6.004054  2010.722 83.82961 2029.053 58.44771 -18.33081      102.1936 
1 1 1 3   7  7  o 2130.700 52.11117 113.7508       5.342850  110.4448       6.555878  120.2893       9.219728  2086.276 62.06910 2175.124 83.72409 -88.84790      104.2223 
1 1 1 3   7  8  o 1702.583 47.10238 74.19286       3.830449  72.30763       6.578361  75.15993       4.711568  1684.742 77.12596 1720.424 54.09365 -35.68201      94.20476 
1 1 1 3   7  9  o 2462.516 47.01636 154.6224       5.860977  151.9200       8.277217  157.3399       8.300178  2440.803 66.98351 2484.229 65.99518 -43.42505      94.03272 
1 1 1 3   7  10 f 162.2276 42.76785 0.4916710      0.4745495 0.3353410      0.6640137 0.6548713      0.6784478 151.2972 59.38261 173.1579 61.56348 -21.86069      85.53571 
1 1 1 3   7  11 o 1663.178 38.29152 70.29390       3.222761  67.50330       4.534590  73.14205       4.581111  1629.728 54.95906 1696.629 53.33353 -66.90076      76.58305 
1 1 1 3   7  12 o 1719.160 47.37606 74.70383       3.905332  73.30250       4.785647  77.49734       6.756861  1697.248 55.69444 1741.073 76.65569 -43.82544      94.75212 
1 1 1 3   7  13 o 871.5297 41.02989 19.22807       1.723100  20.27987       2.922027  18.66732       2.133533  888.2131 65.44148 854.8463 49.50979 33.36682       82.05978 
1 1 1 3   7  14 o 653.2893 35.97007 10.96590       1.177491  11.19920       1.622336  10.70618       1.711705  661.0295 48.82255 645.5490 52.83695 15.48053       71.94015 
1 1 1 3   7  15 o 849.2369 34.84172 18.48996       1.491287  18.64433       2.094038  18.33109       2.124282  852.9708 48.69355 845.5032 49.84697 7.467590       69.68345 
1 1 1 3   7  16 o 728.6257 36.61092 13.70268       1.341199  13.22374       1.887094  14.19153       1.906540  715.5145 52.46013 741.7368 51.08203 -26.22229      73.22185 
1 1 1 3   7  17 o 607.9669 40.73066 9.623220       1.225873  7.985288       1.674324  11.51576       1.799755  550.8093 61.06982 665.1245 53.91127 -114.3151      81.46133 
1 1 1 3   7  18 o 584.2514 53.31609 8.691598       1.416176  10.67456       2.669499  7.914954       1.670643  622.2806 87.12292 546.2222 61.48186 76.05835       106.6322 
1 1 1 3   7  19 o 588.9009 43.16279 9.293256       1.258751  8.274394       1.797806  10.27304       1.762990  554.6885 65.26768 623.1134 56.49987 -68.42493      86.32558 
1 1 1 3   7  20 o 278.8711 62.10473 2.067945       1.073379  3.454409       1.540676  0.7602470      1.496272  343.0971 88.20824 214.6451 87.44881 128.4520       124.2095 
1 1 1 3   7  21 o 227.4019 59.15629 0.7328297      1.140670  2.677065       1.489028  -2.028622      1.774586  296.7670 90.71200 158.0368 75.95525 138.7302       118.3126 
1 1 1 3   7  22 o 256.6141 61.08716 1.646616       1.080420  3.346374       1.552432  0.5002337E-01  1.504582  327.3282 90.60043 185.9001 81.96416 141.4281       122.1743 
1 1 1 3   7  23 o 283.3607 68.37319 2.715946       1.492848  -1.424606      2.845191  4.288877       1.753626  206.7022 98.47877 360.0192 94.87627 -153.3170      136.7464 
1 1 1 3   8  0  o ?        ?        56.14547       5.485296  0.000000       0.000000  56.14547       5.485296  ?        ?        ?        ?        ?              ?        
1 1 1 3   8  1  o ?        ?        35.20415       4.040847  35.20415       4.040847  0.000000       0.000000  ?        ?        ?        ?        ?              ?        
1 1 1 3   8  2  o ?        ?        443.3747       20.78690  445.8972       29.39737  440.8522       29.39687  ?        ?        ?        ?        ?              ?        
1 1 1 3   8  3  o ?        ?        24.52217       2.303987  25.33239       3.258051  23.71168       3.258607  ?        ?        ?        ?        ?              ?        
1 1 1 3   8  4  o 1637.922 47.13040 68.27111       3.670920  68.90578       6.414701  67.96205       4.476363  1641.438 77.19131 1634.406 54.09807 7.031738       94.26080 
1 1 1 3   8  5  o 2867.100 52.31470 208.8858       7.593580  207.9098       10.73939  209.8616       10.73850  2860.376 74.16049 2873.824 73.80740 -13.44727      104.6294 
1 1 1 3   8  6  o 2651.064 60.03677 177.8989       7.600548  181.0396       13.20311  176.3423       9.295184  2666.610 97.79869 2635.518 69.66400 31.09204       120.0735 
1 1 1 3   8  7  o 2129.031 53.50698 115.5631       5.414972  116.0901       6.614579  114.4922       9.428753  2138.175 61.10481 2119.888 87.85323 18.28662       107.0140 
1 1 1 3   8  8  o 1564.304 36.97436 62.18710       2.928126  62.64846       4.135044  61.72307       4.146973  1570.155 52.01804 1558.452 52.55983 11.70239       73.94872 
1 1 1 3   8  9  o 2005.338 42.17591 102.4092       4.281393  100.3120       6.037019  104.5313       6.072746  1984.595 60.08514 2026.082 59.20309 -41.48767      84.35182 
1 1 1 3   8  10 f 1101.068 34.10909 30.78862       1.901033  30.92382       2.666594  30.64888       2.710886  1103.563 47.72831 1098.574 48.74146 4.989746       68.21819 
1 1 1 3   8  11 o 775.8646 42.91164 15.66080       1.573084  14.64033       2.675210  16.20014       1.944853  754.5353 70.86186 797.1939 48.41729 -42.65863      85.82329 
1 1 1 3   8  12 f 531.1704 50.05313 7.239764       1.330139  7.239764       1.330139  0.000000       0.000000  531.1704 50.05313 ?        ?        ?              ?        
1 1 1 3   8  13 o 599.5313 44.61302 9.693487       1.235951  8.076838       2.067463  10.59254       1.541782  555.8536 75.41438 643.2090 47.68602 -87.35535      89.22604 
1 1 1 3   8  14 o 634.3941 35.74962 10.38034       1.133222  11.10213       1.570645  9.596632       1.636627  658.1772 47.45418 610.6110 53.48124 47.56628       71.49924 
1 1 1 3   8  15 o 969.8953 35.64611 24.14169       1.743867  24.63388       2.458323  23.64313       2.474154  980.0543 49.70832 959.7363 51.10443 20.31799       71.29221 
1 1 1 3   8  16 o 469.3070 52.83059 6.014374       1.145340  5.481234       1.923340  6.307315       1.425690  447.8690 87.96320 490.7450 58.53855 -42.87607      105.6612 
1 1 1 3   8  17 o 708.5604 48.14135 13.54707       1.588407  14.06193       1.954964  12.54695       2.724718  735.0844 52.88466 682.0365 80.45850 53.04791       96.28269 
1 1 1 3   8  18 o 362.2906 62.01810 3.325428       1.102678  5.397012       1.911107  2.291607       1.350070  437.4505 89.31356 287.1307 86.07011 150.3198       124.0362 
1 1 1 3   8  19 o 957.9487 37.88602 24.06259       1.826005  26.35543       2.663231  22.02853       2.508436  1001.568 52.70789 914.3292 54.43604 87.23895       75.77205 
1 1 1 3   8  20 o 197.3765 56.94870 0.6131658      0.8989112 0.6127576      1.255164  0.6135956      1.287976  196.5399 80.08560 198.2130 80.98712 -1.673065      113.8974 
1 1 1 3   8  21 o 322.5267 64.46389 3.247296       1.130582  4.002549       1.558062  2.407358       1.643093  363.7167 85.97157 281.3368 96.07945 82.37991       128.9278 
1 1 1 3   8  22 o 345.1207 72.09286 4.181466       1.442309  5.115046       1.793898  2.474615       2.425603  405.8717 89.69086 284.3696 112.8941 121.5021       144.1857 
1 1 1 3   9  0  f ?        ?        107.3497       6.211613  109.9239       8.795003  104.7876       8.774130  ?        ?        ?        ?        ?              ?        
1 1 1 3   9  1  o ?        ?        120.2030       6.789358  120.1143       9.599653  120.2918       9.603553  ?        ?        ?        ?        ?              ?        
1 1 1 3   9  2  o 938.4664 47.88675 23.55669       2.252538  25.61822       3.192604  21.51324       3.178582  981.7841 64.59174 895.1486 70.71400 86.63550       95.77350 
1 1 1 3   9  3  o 1104.898 47.92186 31.20375       2.667293  30.56407       3.767366  31.84667       3.776896  1093.402 68.40118 1116.393 67.13641 -22.99109      95.84372 
1 1 1 3   9  4  o 3383.139 83.55653 292.7022       14.31033  296.9813       20.24154  288.4262       20.23418  3408.107 117.3131 3358.171 119.0143 49.93579       167.1131 
1 1 1 3   9  5  o 999.4742 33.76419 25.37138       1.703365  23.88495       2.405081  26.86734       2.412781  969.4006 49.16619 1029.548 46.29005 -60.14740      67.52839 
1 1 1 3   9  6  o 2010.573 58.67376 102.8229       5.971768  103.8383       8.519749  101.8421       8.372877  2020.291 83.29697 2000.854 82.65624 19.43652       117.3475 
1 1 1 3   9  7  o 565.5287 49.49383 8.405253       1.354778  9.168263       1.801305  7.411519       2.055689  597.4985 60.37630 533.5590 78.44271 63.93945       98.98766 
1 1 1 3   9  8  o 867.1423 32.80922 19.15943       1.434933  19.17160       2.013790  19.14688       2.045177  867.4695 46.01849 866.8152 46.77691 0.6542358      65.61845 
1 1 1 3   9  9  o 707.7770 32.56019 12.77214       1.159739  12.66881       1.610961  12.88330       1.670918  704.8687 45.38455 710.6854 46.70018 -5.816711      65.12038 
1 1 1 3   9  10 o 988.7518 33.73809 24.81684       1.688183  24.53604       2.349340  25.11663       2.427480  983.0036 47.20708 994.5000 48.21334 -11.49640      67.47618 
1 1 1 3   9  11 o 1381.573 44.32848 48.96926       2.904963  47.87711       5.034140  49.51449       3.556923  1367.441 72.98032 1395.705 50.33815 -28.26379      88.65696 
1 1 1 3   9  12 o 798.0021 47.37571 16.25850       1.905429  16.25850       1.905429  0.000000       0.000000  798.0021 47.37571 ?        ?        ?              ?        
1 1 1 3   9  13 o 1567.553 45.96433 61.49961       3.478085  67.82890       6.010314  58.31293       4.264709  1624.225 73.09156 1510.880 55.75396 113.3451       91.92867 
1 1 1 3   9  14 o 1849.481 41.23138 87.66399       3.859315  90.50513       5.467678  84.84309       5.448167  1879.675 57.45613 1819.286 59.15148 60.38892       82.46275 
1 1 1 3   9  15 o 457.6178 45.64373 5.553919       1.016605  4.776217       1.456653  6.292415       1.419460  424.0073 70.32180 491.2283 58.20864 -67.22104      91.28747 
1 1 1 3   9  16 o 173.0342 49.67536 -0.4458144     0.7595100 1.261741       1.222993  -1.517813      0.9690219 231.9684 82.63686 114.1000 55.15174 117.8683       99.35072 
1 1 1 3   9  17 f 754.9294 55.30148 14.89954       2.098911  14.89954       2.098911  0.000000       0.000000  754.9294 55.30148 ?        ?        ?              ?        
1 1 1 3   9  18 o 520.0788 60.92584 7.768985       1.373162  7.020431       2.561902  8.070721       1.626541  489.0609 106.4892 551.0967 59.22737 -62.03586      121.8517 
1 1 1 3   9  19 o 337.7288 60.61949 3.343942       1.094960  1.935038       1.575660  4.659746       1.522711  267.9554 93.95831 407.5023 76.62066 -139.5469      121.2390 
1 1 1 3   9  20 o 381.4795 57.59858 4.274106       1.083678  5.276032       1.547440  3.309832       1.518085  431.0249 73.55288 331.9341 88.65867 99.09082       115.1972 
1 1 1 3   9  21 o 198.3111 59.50190 0.4739338      1.019604  0.7424076      1.612146  0.2949550      1.316297  212.5068 89.05702 184.1155 78.93510 28.39134       119.0038 
1 1 1 3   9  22 o 247.1882 69.32895 1.319790       1.238369  0.5723951      1.503999  2.893223       2.182211  199.9342 85.00983 294.4422 109.5415 -94.50793      138.6579 
1 1 1 3   10 0  o 2939.002 106.9804 222.1319       15.91797  0.000000       0.000000  222.1319       15.91797  ?        ?        2939.002 106.9804 ?              ?        
1 1 1 3   10 1  o 2854.755 73.86609 208.8828       10.67236  214.9686       15.09844  202.8059       15.08757  2896.819 102.9502 2812.690 105.9531 84.12866       147.7322 
1 1 1 3   10 2  o 1736.312 55.16629 76.73686       4.848247  78.67917       6.859570  74.79807       6.853348  1758.383 77.05479 1714.241 78.96731 44.14270       110.3326 
1 1 1 3   10 3  o 2292.289 63.80469 133.7686       7.403477  136.6162       10.47547  130.9268       10.46473  2316.795 89.31049 2267.784 91.14708 49.01123       127.6094 
1 1 1 3   10 4  o 2417.146 65.91330 148.7186       8.066014  149.0271       11.40785  148.4103       11.40628  2419.665 93.12470 2414.627 93.30618 5.038086       131.8266 
1 1 1 3   10 5  o 1177.598 32.85411 35.15783       1.958707  35.25612       2.773484  35.06002       2.766588  1179.241 46.45577 1175.956 46.46969 3.284546       65.70822 
1 1 1 3   10 6  o 3651.208 89.04050 343.3968       16.45882  343.7923       23.35734  343.0067       23.19608  3653.110 126.2923 3649.305 125.5512 3.804932       178.0810 
1 1 1 3   10 7  o 3303.080 80.99956 282.2217       13.53570  268.6398       19.03439  296.1162       19.25220  3221.337 116.7130 3384.823 112.3468 -163.4866      161.9991 
1 1 1 3   10 8  o 326.2591 39.44282 2.787609       0.6274856 2.885997       0.8769889 2.684407       0.8981881 332.6120 53.92669 319.9062 57.57478 12.70578       78.88564 
1 1 1 3   10 9  f 1028.380 33.86930 26.86756       1.762670  27.20372       2.467919  26.51750       2.518431  1035.005 47.09825 1021.756 48.68546 13.24945       67.73861 
1 1 1 3   10 10 o 1502.105 36.51726 57.34402       2.774878  54.38215       3.899283  60.38305       3.949744  1462.688 52.65619 1541.521 50.60994 -78.83301      73.03452 
1 1 1 3   10 11 o 582.2365 48.00346 8.853850       1.284969  8.547789       2.262038  8.999667       1.561345  572.1192 80.30808 592.3537 52.61121 -20.23450      96.00691 
1 1 1 3   10 12 o 2328.912 59.47297 143.5328       6.488021  150.3509       7.925337  129.6790       11.29722  2423.764 64.58681 2234.059 99.88333 189.7046       118.9459 
1 1 1 3   10 13 o 626.6946 37.32927 10.12404       1.170223  9.634254       1.686604  10.57870       1.625005  611.5111 55.06922 641.8781 50.41111 -30.36694      74.65855 
1 1 1 3   10 14 o 429.4284 45.27615 4.849085       0.9507859 5.355775       1.356057  4.359143       1.333457  452.7148 60.69374 406.1419 67.20110 46.57294       90.55229 
1 1 1 3   10 15 o 358.8156 50.34011 3.448453       0.8813657 2.954628       1.210979  4.004674       1.285209  330.2595 74.23283 387.3716 68.01466 -57.11203      100.6802 
1 1 1 3   10 16 o 401.4006 59.70681 4.226451       1.102703  5.086222       2.006364  3.854347       1.319929  425.7936 95.43517 377.0077 71.77564 48.78592       119.4136 
1 1 1 3   10 17 o 275.2338 61.44580 2.196543       1.050347  2.971350       1.221631  0.1573629E-05  2.056899  327.4481 75.26717 223.0195 97.14525 104.4286       122.8916 
1 1 1 3   10 18 o 749.5825 39.25860 14.85078       1.476729  15.38975       2.058917  14.27978       2.119208  764.7540 53.51547 734.4111 57.45472 30.34290       78.51720 
1 1 1 3   10 19 o 584.6210 43.16639 9.223509       1.258522  9.442673       1.800026  9.013917       1.760278  591.5084 60.98286 577.7336 61.11008 13.77478       86.33279 
1 1 1 3   10 20 o 396.3726 60.88398 4.705636       1.187818  5.159699       1.695542  4.268023       1.664545  417.7403 83.09550 375.0048 89.00883 42.73550       121.7680 
1 1 1 3   10 21 f 344.6039 69.34895 3.908293       1.275028  3.420122       1.996136  4.244733       1.657137  320.2547 105.8656 368.9532 89.60791 -48.69846      138.6979 
1 1 1 3   10 22 o 218.2923 61.72972 0.9363176      1.176627  2.097194       1.460821  -1.207874      1.985344  258.7658 90.48451 177.8188 83.99277 80.94704       123.4594 
1 1 1 3   11 0  o 1686.486 54.48641 72.30078       4.651553  70.87844       6.572330  73.72829       6.584265  1669.804 77.74461 1703.169 76.36001 -33.36487      108.9728 
1 1 1 3   11 1  o 269.2096 79.17162 1.871196       1.150935  1.871196       1.150935  0.000000       0.000000  269.2096 79.17162 ?        ?        ?              ?        
1 1 1 3   11 2  o 1937.027 82.44741 95.40524       8.085303  0.000000       0.000000  95.40524       8.085303  ?        ?        1937.027 82.44741 ?              ?        
1 1 1 3   11 3  o 564.2327 68.98190 8.204222       1.929466  0.000000       0.000000  8.204222       1.929466  ?        ?        564.2327 68.98190 ?              ?        
1 1 1 3   11 4  o 818.6348 47.17145 17.15192       1.934333  15.95398       2.729460  18.36064       2.741702  789.4179 68.98749 847.8517 64.35300 -58.43378      94.34290 
1 1 1 3   11 5  o 1283.504 42.06306 42.10918       2.582197  42.50047       3.186286  41.36048       4.407508  1294.001 48.63698 1273.008 68.64144 20.99255       84.12611 
1 1 1 3   11 6  o 1610.460 36.84492 65.96892       3.002289  68.64866       4.248812  63.29657       4.242949  1643.277 51.07086 1577.643 53.12212 65.63330       73.68983 
1 1 1 3   11 7  o 1648.395 48.87575 69.82008       3.796875  70.57294       4.610575  68.23358       6.692940  1665.033 54.69512 1631.758 81.01727 33.27551       97.75150 
1 1 1 3   11 8  o 1501.732 46.43473 57.94026       3.269554  58.62427       3.962435  56.48104       5.787521  1518.643 51.53745 1484.821 77.25690 33.82202       92.86946 
1 1 1 3   11 9  o 1511.425 37.38066 58.08722       2.859214  59.69553       4.031819  56.46008       4.055362  1532.585 51.96285 1490.265 53.75050 42.31946       74.76131 
1 1 1 3   11 10 o 303.4487 45.20122 2.434669       0.6695971 2.438487       0.9014734 2.429970       1.000093  304.0998 60.68011 302.7975 67.01138 1.302216       90.40244 
1 1 1 3   11 11 o 981.2064 40.33676 24.32550       1.905728  23.67926       2.351907  25.56099       3.251937  964.5256 48.16402 997.8872 64.71819 -33.36157      80.67352 
1 1 1 3   11 12 o 621.5852 58.78483 10.55760       1.695984  11.72360       2.159422  8.680526       2.739862  673.3995 64.11452 569.7709 98.54924 103.6287       117.5697 
1 1 1 3   11 13 o 813.2388 35.99928 17.02465       1.469002  18.28604       2.049811  15.69277       2.106307  845.0057 48.11396 781.4719 53.56154 63.53381       71.99856 
1 1 1 3   11 14 f 616.4885 37.14180 9.823746       1.142538  8.684727       1.597682  11.01592       1.634534  579.0020 55.17114 653.9750 49.74131 -74.97308      74.28359 
1 1 1 3   11 15 f 1238.051 36.86088 39.51179       2.310389  39.37877       3.268892  39.64456       3.265878  1235.920 52.24279 1240.182 52.01528 -4.261475      73.72176 
1 1 1 3   11 16 o 747.6644 48.89056 15.06720       1.691282  14.25622       2.959456  15.46052       2.060997  725.1880 82.05152 770.1408 53.18549 -44.95282      97.78112 
1 1 1 3   11 17 o 283.6087 68.66467 1.625358       1.313785  0.7136859E-05  1.731262  3.832187       2.017315  205.2760 89.27200 361.9414 104.3545 -156.6654      137.3293 
1 1 1 3   11 18 o 1273.202 38.23155 42.63424       2.463900  41.82547       3.444907  43.48127       3.525450  1260.937 53.96356 1285.467 54.17140 -24.52991      76.46310 
1 1 1 3   11 19 o 919.6237 38.00323 22.59581       1.756285  24.05122       2.456731  21.07453       2.511706  952.2410 51.14701 887.0065 56.22248 65.23450       76.00647 
1 1 1 3   11 20 o 309.3261 57.58246 2.911577       1.079967  0.6946655      1.580474  4.853380       1.479162  209.8537 88.07338 408.7986 74.20270 -198.9449      115.1649 
1 1 1 3   11 21 o 432.6943 67.90987 5.898577       1.417554  6.488377       2.297307  5.535933       1.801387  441.8609 104.3601 423.5278 86.92509 18.33313       135.8197 
1 1 1 3   11 22 o 231.1550 71.86965 0.6305871      1.697442  -0.9787893     2.375891  2.308543       2.425984  195.0770 92.06514 267.2329 110.3857 -72.15588      143.7393 
1 1 1 3   12 0  o 939.9713 47.17834 22.57308       2.225413  24.34881       3.156713  20.81858       3.137789  977.2334 64.16119 902.7093 69.18472 74.52411       94.35668 
1 1 1 3   12 1  o 277.6322 84.49480 1.967761       1.293891  1.967761       1.293891  0.000000       0.000000  277.6322 84.49480 ?        ?        ?              ?        
1 1 1 3   12 2  o 2928.567 75.15599 219.0850       11.14193  222.6240       15.76013  215.5487       15.75401  2952.422 105.4382 2904.712 107.1283 47.71021       150.3120 
1 1 1 3   12 3  o 1876.323 81.19912 89.70445       7.713340  89.70445       7.713340  0.000000       0.000000  1876.323 81.19912 ?        ?        ?              ?        
1 1 1 3   12 4  f 1159.967 69.53881 34.39753       4.064885  34.39753       4.064885  0.000000       0.000000  1159.967 69.53881 ?        ?        ?              ?        
1 1 1 3   12 5  o 1714.180 53.88006 75.13374       4.675887  75.48528       6.611311  74.78192       6.614095  1718.236 76.00133 1710.124 76.39400 8.111816       107.7601 
1 1 1 3   12 6  o 320.7786 42.57681 2.684914       0.6630374 2.944000       0.9986483 2.480676       0.8866621 334.6697 61.19543 306.8875 59.21367 27.78220       85.15362 
1 1 1 3   12 7  o 2345.111 46.30504 140.2379       5.496978  142.6223       7.770537  137.8493       7.777268  2365.219 64.89273 2325.002 66.07240 40.21680       92.61008 
1 1 1 3   12 8  o 2355.386 45.37132 141.3316       5.410038  142.8483       7.640856  139.8069       7.661081  2368.158 63.73055 2342.614 64.59601 25.54395       90.74265 
1 1 1 3   12 9  o 1729.966 39.47599 76.18125       3.456009  78.27751       4.870610  74.05560       4.904638  1754.100 54.84605 1705.833 56.79195 48.26709       78.95198 
1 1 1 3   12 10 o 1355.607 35.86034 46.76560       2.460612  45.47293       3.449815  48.10426       3.510644  1336.504 50.98496 1374.711 50.44194 -38.20740      71.72067 
1 1 1 3   12 11 o 700.2174 41.21793 12.84970       1.363598  13.37414       1.691995  11.87792       2.303234  723.1767 46.45959 677.2581 68.09681 45.91858       82.43585 
1 1 1 3   12 12 o 1607.928 45.95599 65.74411       3.575438  68.63982       6.073771  64.20854       4.422997  1631.512 73.53336 1584.343 55.14214 47.16895       91.91197 
1 1 1 3   12 13 o 1400.434 37.76382 50.28822       2.675315  51.93866       3.755366  48.58743       3.812208  1424.195 52.08338 1376.672 54.69687 47.52283       75.52765 
1 1 1 3   12 14 f 567.3232 39.16472 8.378738       1.108117  8.901644       1.560840  7.847341       1.573464  585.9244 53.19769 548.7219 57.49354 37.20251       78.32944 
1 1 1 3   12 15 o 787.2485 36.05408 16.08223       1.428280  16.67236       2.015296  15.48668       2.024523  802.2316 49.86666 772.2654 52.08554 29.96619       72.10817 
1 1 1 3   12 16 o 250.9611 56.97508 1.702913       0.9055449 2.465038       1.121179  0.2729219      1.535779  298.1709 74.48818 203.7513 86.23312 94.41953       113.9502 
1 1 1 3   12 17 o 288.5186 65.31648 2.011491       1.229403  3.925696       1.773204  0.2395903      1.706020  367.1418 94.75723 209.8954 89.92240 157.2465       130.6330 
1 1 1 3   12 18 o 439.6228 52.70790 5.614803       1.090985  7.307439       1.505315  3.741970       1.583417  521.5188 57.99524 357.7269 88.02866 163.7919       105.4158 
1 1 1 3   12 19 o 699.0371 40.67591 13.26653       1.422071  12.12372       2.005006  14.42336       2.017276  666.4694 60.06812 731.6048 54.86293 -65.13544      81.35183 
1 1 1 3   12 20 o 817.4087 41.37598 18.45613       1.696025  19.51004       2.370744  17.35131       2.427339  844.4885 55.76464 790.3290 61.14075 54.15948       82.75196 
1 1 1 3   12 21 o 337.0838 72.13693 3.697038       1.434621  5.846046       2.156887  1.991982       1.921222  416.1621 102.9413 258.0055 101.0843 158.1566       144.2739 
1 1 1 3   13 0  o 1068.000 48.75598 29.19032       2.616075  26.97924       3.697857  31.40578       3.701522  1026.897 71.57539 1109.103 66.22346 -82.20593      97.51196 
1 1 1 3   13 1  o 1066.933 48.44853 29.13296       2.594376  32.04490       3.693029  26.29559       3.645438  1120.308 65.39626 1013.559 71.50085 106.7491       96.89706 
1 1 1 3   13 2  o 1847.266 57.27032 87.19415       5.352982  90.76948       7.584096  83.64481       7.556499  1885.326 79.45730 1809.205 82.49908 76.12036       114.5406 
1 1 1 3   13 3  o 1978.951 59.44339 100.3156       5.953752  103.2007       8.424049  97.43608       8.415709  2007.708 82.87749 1950.193 85.23724 57.51489       118.8868 
1 1 1 3   13 4  o 1792.354 80.11806 82.33514       7.270058  82.33514       7.270058  0.000000       0.000000  1792.354 80.11806 ?        ?        ?              ?        
1 1 1 3   13 5  o 2400.354 66.58106 148.4757       8.090989  149.5845       11.44738  147.3687       11.43740  2409.452 93.84350 2391.257 94.47514 18.19556       133.1621 
1 1 1 3   13 6  o 1547.505 72.91631 61.18948       5.712686  61.18948       5.712686  0.000000       0.000000  1547.505 72.91631 ?        ?        ?              ?        
1 1 1 3   13 7  o 1995.727 58.11302 101.8273       5.868045  106.9317       8.423504  97.01461       8.179224  2044.485 81.38141 1946.968 82.97927 97.51672       116.2260 
1 1 1 3   13 8  o 2533.389 58.03556 164.9865       7.025357  162.1903       12.07373  166.4178       8.638292  2512.305 94.92603 2554.472 66.79485 -42.16772      116.0711 
1 1 1 3   13 9  o 1629.514 47.17948 68.61706       3.676762  65.38976       6.256686  70.31946       4.544190  1597.338 77.36845 1661.689 54.01607 -64.35132      94.35896 
1 1 1 3   13 10 o 917.9537 34.66732 21.51540       1.604665  21.01645       2.232222  22.04898       2.308372  906.9565 48.79408 928.9509 49.25882 -21.99445      69.33464 
1 1 1 3   13 11 o 408.1240 40.85817 4.351941       0.8120502 4.395566       1.078822  4.294911       1.233479  411.4655 53.02209 404.7825 62.17892 6.682953       81.71634 
1 1 1 3   13 12 o 557.5396 46.31078 8.178394       1.203185  7.884500       2.062290  8.330051       1.481447  546.8035 76.59840 568.2757 52.07145 -21.47223      92.62155 
1 1 1 3   13 13 o 384.5181 47.08863 3.918574       0.8725366 2.918357       1.191468  5.075362       1.281333  328.8651 73.42001 440.1711 58.98185 -111.3061      94.17725 
1 1 1 3   13 14 o 255.1858 56.68143 1.715149       0.8149695 1.787976       1.186750  1.650153       1.121129  259.8393 81.24319 250.5323 79.06125 9.307053       113.3629 
1 1 1 3   13 15 o 790.5167 36.59790 16.26947       1.456143  16.04543       2.028470  16.50766       2.091573  785.0668 51.31859 795.9666 52.19221 -10.89978      73.19580 
1 1 1 3   13 16 o 407.6747 66.01469 4.827806       1.338730  4.045906       1.942566  5.535057       1.847510  371.9192 100.6957 443.4303 85.39397 -71.51105      132.0294 
1 1 1 3   13 17 o 796.1395 44.89567 16.40917       1.713024  19.14564       2.975845  15.05302       2.094927  838.7084 70.74382 753.5706 55.29736 85.13782       89.79134 
1 1 1 3   13 18 o 240.5008 59.97670 1.537110       0.9066728 1.742160       1.347101  1.367295       1.225908  251.3131 86.94673 229.6885 82.63827 21.62465       119.9534 
1 1 1 3   13 19 o 198.0456 58.02452 0.6393119      0.9512562 0.6002162      1.314597  0.6822830      1.378215  195.1017 80.97803 200.9895 83.12605 -5.887878      116.0490 
1 1 1 3   13 20 o 235.0697 60.57745 1.280178       1.043317  -0.5323934E-01 1.440281  2.752379       1.513379  177.3856 79.08924 292.7538 91.77910 -115.3682      121.1549 
1 1 1 3   13 21 o 289.6020 70.79884 2.852034       1.224315  2.840083       1.477734  2.878196       2.186367  293.3913 90.48216 285.8127 108.9169 7.578644       141.5977 
1 1 1 3   14 0  o 599.4078 40.35924 8.955676       1.124904  9.984342       2.045732  8.509834       1.346796  622.0499 65.96570 576.7657 46.51880 45.28418       80.71848 
1 1 1 3   14 1  o 1701.395 47.76665 73.51619       3.864656  75.16340       6.773713  72.72123       4.705697  1712.887 78.11142 1689.903 55.00200 22.98328       95.53331 
1 1 1 3   14 2  o 1390.273 49.11864 51.17062       3.166550  45.05672       5.539470  54.13810       3.859252  1322.228 83.17588 1458.319 52.27175 -136.0914      98.23727 
1 1 1 3   14 3  o 2998.915 63.31627 230.2489       9.059206  235.4387       15.76321  227.6894       11.06995  3015.718 103.2453 2982.113 73.32262 33.60498       126.6325 
1 1 1 3   14 4  o 297.0801 85.81863 2.316692       1.363137  2.316692       1.363137  0.000000       0.000000  297.0801 85.81863 ?        ?        ?              ?        
1 1 1 3   14 5  o 2195.764 62.95893 123.8164       6.995364  125.8562       9.793497  121.6916       9.995472  2214.811 87.34086 2176.717 90.70216 38.09375       125.9179 
1 1 1 3   14 6  f 2321.225 44.68720 137.3027       5.251481  137.1062       7.412860  137.5006       7.440649  2319.576 63.12386 2322.874 63.27054 -3.298096      89.37440 
1 1 1 3   14 7  o 1225.230 52.13329 38.52278       3.216128  40.00664       4.528626  37.01287       4.568216  1249.520 71.89111 1200.941 75.51944 48.57886       104.2666 
1 1 1 3   14 8  o 697.2595 50.27004 13.18771       1.523622  13.98074       1.803822  11.21318       2.846304  739.8074 48.42778 654.7116 88.10822 85.09576       100.5401 
1 1 1 3   14 9  o 369.4280 45.38439 3.493752       0.7988707 3.175324       1.008306  4.030679       1.309313  347.8035 59.39561 391.0525 68.63770 -43.24896      90.76878 
1 1 1 3   14 10 o 584.0995 64.34870 8.856093       1.871303  8.856093       1.871303  0.000000       0.000000  584.0995 64.34870 ?        ?        ?              ?        
1 1 1 3   14 11 o 311.2577 50.52016 2.597578       0.7797029 2.760100       1.108174  2.438246       1.097240  321.1347 70.12628 301.3807 72.74236 19.75397       101.0403 
1 1 1 3   14 12 o 793.6064 43.99794 16.26104       1.670121  16.55924       2.834451  16.10245       2.067056  796.3445 71.05096 790.8685 51.91371 5.476013       87.99587 
1 1 1 3   14 13 o 909.0043 47.62279 21.98400       1.958224  22.50291       2.333916  20.75002       3.599106  934.3298 49.51697 883.6788 81.36209 50.65100       95.24557 
1 1 1 3   14 14 o 682.0833 38.24959 12.18838       1.303856  13.09182       1.813784  11.22227       1.875633  709.6841 50.81841 654.4825 57.18055 55.20154       76.49918 
1 1 1 3   14 15 o 473.1827 45.66311 6.049485       1.056476  6.670483       1.471792  5.389386       1.517419  500.8893 59.18270 445.4761 69.55492 55.41315       91.32623 
1 1 1 3   14 16 o 435.1137 50.98748 5.189718       1.073826  4.188351       1.461104  6.365897       1.583511  386.2294 77.41867 483.9980 66.37199 -97.76852      101.9750 
1 1 1 3   14 17 o 386.4860 66.78124 4.227155       1.215995  5.119883       2.219125  3.844080       1.453664  407.4120 106.4226 365.5601 80.70422 41.85193       133.5625 
1 1 1 3   14 18 o 332.5253 57.48803 3.290425       1.018074  4.847731       1.457513  1.806692       1.422667  412.1079 72.50571 252.9427 89.23236 159.1652       114.9761 
1 1 1 3   14 19 o 197.5789 54.47870 0.4528280      0.9425665 1.859558       1.246874  -1.422981      1.439831  248.9928 83.70366 146.1649 69.75252 102.8279       108.9574 
1 1 1 3   14 20 o 240.9080 63.47999 1.699927       1.046721  2.092346       1.492905  1.320500       1.467985  257.9690 91.36520 223.8470 88.15462 34.12199       126.9600 
1 1 1 3   14 21 o 185.2048 55.27043 0.2558700      0.9839793 1.453380       1.338501  -1.152305      1.451467  222.0877 85.07963 148.3218 70.57434 73.76588       110.5409 
1 1 1 3   15 0  o 1154.053 33.81318 33.87903       1.975521  33.50093       2.786046  34.26137       2.801636  1147.561 47.95444 1160.545 47.68328 -12.98340      67.62635 
1 1 1 3   15 1  o 2528.717 68.92893 165.1740       8.822703  161.4855       12.47604  168.8638       12.47833  2499.905 98.57568 2557.529 96.37233 -57.62378      137.8579 
1 1 1 3   15 2  o 1441.431 51.32716 53.23263       3.735401  53.04918       5.393349  53.40175       5.178509  1437.742 74.35016 1445.120 70.78109 -7.377319      102.6543 
1 1 1 3   15 3  o 325.7807 91.07463 2.806552       1.560552  2.806552       1.560552  0.000000       0.000000  325.7807 91.07463 ?        ?        ?              ?        
1 1 1 3   15 4  o 182.7924 52.54902 0.1108044      0.8174989 0.9119520      1.129373  -0.7709965     1.184858  213.4374 78.92292 152.1474 69.40297 61.28999       105.0980 
1 1 1 3   15 5  o 1231.537 50.02203 38.89280       3.093955  39.33308       4.212299  38.37701       4.559299  1239.817 67.36140 1223.258 73.96793 16.55884       100.0441 
1 1 1 3   15 6  o 1156.552 41.68246 34.15621       2.021245  34.16534       2.293537  34.12447       4.276886  1160.116 39.04996 1152.989 73.65332 7.127197       83.36493 
1 1 1 3   15 7  o 2130.551 52.83704 115.1363       5.373601  119.8294       9.384907  112.8473       6.554376  2158.402 85.88435 2102.699 61.57019 55.70264       105.6741 
1 1 1 3   15 8  o 1447.619 46.24431 53.33173       3.149531  52.62699       3.804994  54.86532       5.612963  1436.498 52.31971 1458.740 76.26791 -22.24194      92.48862 
1 1 1 3   15 9  o 1609.792 44.80305 64.20953       3.433246  60.15349       4.139078  73.15453       6.146716  1534.234 53.28785 1685.350 72.03927 -151.1160      89.60609 
1 1 1 3   15 10 o 505.7947 43.84519 6.650484       1.050472  6.611612       1.308630  6.720917       1.761508  505.8490 51.83084 505.7404 70.73307 0.1086121      87.69038 
1 1 1 3   15 11 o 567.6295 48.12955 8.417615       1.335691  6.802458       1.830451  10.25712       1.953447  507.2429 73.41338 628.0161 62.25987 -120.7733      96.25910 
1 1 1 3   15 12 o 741.0062 50.89536 14.44568       1.870794  14.45357       2.819478  14.43948       2.500546  739.4240 76.41916 742.5884 67.24181 -3.164490      101.7907 
1 1 1 3   15 13 o 253.7372 66.60295 1.423472       1.091279  1.382121       1.333081  1.507475       1.900043  241.1621 86.23726 266.3123 101.5231 -25.15024      133.2059 
1 1 1 3   15 14 o 889.4376 45.53046 20.65462       1.963775  22.17344       3.279720  19.80577       2.451880  909.8287 71.78534 869.0464 56.02640 40.78223       91.06093 
1 1 1 3   15 15 o 198.5547 58.07402 0.5092087      0.9170189 0.6892334      1.110090  0.1224014      1.627195  194.9984 76.70187 202.1111 87.21920 -7.112762      116.1480 
1 1 1 3   15 16 o 593.8754 49.95754 9.523843       1.441892  10.54352       2.325509  8.887016       1.837798  615.7498 76.22748 572.0010 64.59407 43.74878       99.91508 
1 1 1 3   15 17 o 508.7145 64.60278 7.867545       1.521220  6.921290       2.520877  8.409464       1.907721  468.4155 108.4415 549.0136 70.24615 -80.59811      129.2056 
1 1 1 3   15 18 o 280.4311 50.17326 2.340258       1.175487  4.834477       1.350817  -5.440599      2.385849  411.8388 67.09704 149.0233 74.61508 262.8154       100.3465 
1 1 1 3   15 19 o 403.5461 56.77763 5.069815       1.113089  5.933637       1.526145  4.088073       1.626981  451.0632 69.02628 356.0289 90.16746 95.03430       113.5553 
1 1 1 3   15 20 o 349.6885 66.01907 4.093138       1.193114  3.658055       1.641554  4.580363       1.737135  328.6469 93.95040 370.7301 92.77605 -42.08322      132.0381 
1 1 1 3   16 0  o 1170.002 34.32549 34.80442       2.033227  34.69348       2.873282  34.91569       2.877557  1168.130 48.58513 1171.874 48.50196 -3.743774      68.65097 
1 1 1 3   16 1  o 2054.812 60.29728 108.3243       6.270521  108.0088       8.978811  108.6247       8.760914  2051.513 86.44920 2058.111 84.08081 -6.598633      120.5946 
1 1 1 3   16 2  o 2440.029 58.72771 152.0840       6.826084  154.2285       11.89524  151.0310       8.335062  2447.671 95.99228 2432.387 67.68501 15.28418       117.4554 
1 1 1 3   16 3  o 1209.188 47.21331 37.26304       2.872700  40.16879       4.232547  34.78122       3.911628  1252.793 66.97533 1165.583 66.56345 87.20959       94.42663 
1 1 1 3   16 4  o 1217.944 49.61345 37.72507       3.059218  0.000000       0.000000  37.72507       3.059218  ?        ?        1217.944 49.61345 ?              ?        
1 1 1 3   16 5  o 1106.978 50.39067 31.44099       2.807720  30.48228       3.901517  32.47087       4.043733  1089.450 71.12668 1124.506 71.39941 -35.05627      100.7813 
1 1 1 3   16 6  o 587.2134 51.48361 9.824936       1.064064  10.27129       1.172641  7.743928       2.531982  634.9185 36.63634 539.5083 96.22903 95.41022       102.9672 
1 1 1 3   16 7  f 1642.660 37.42723 68.87276       3.110792  65.91278       4.381777  71.88063       4.417085  1606.833 53.86366 1678.486 51.97977 -71.65271      74.85446 
1 1 1 3   16 8  o 739.5420 43.42068 13.55991       1.446662  12.88996       1.688612  15.40821       2.804765  709.2706 47.29681 769.8134 72.83156 -60.54272      86.84137 
1 1 1 3   16 9  o 1123.182 35.17171 32.19318       1.997614  30.13487       2.763907  34.44426       2.890446  1085.541 50.29140 1160.822 49.18305 -75.28174      70.34342 
1 1 1 3   16 10 o 1429.876 36.35276 52.38638       2.631241  51.84363       3.684602  52.95122       3.758779  1422.402 51.16637 1437.349 51.65363 -14.94714      72.70553 
1 1 1 3   16 11 o 287.0958 50.60133 2.165579       0.7287003 1.779679       0.9501560 2.716732       1.135517  257.3618 70.73543 316.8298 72.37734 -59.46802      101.2027 
1 1 1 3   16 12 o 279.4030 59.33059 2.153043       0.9385814 1.345623       1.467341  2.712162       1.221049  244.5351 90.04379 314.2709 77.28255 -69.73581      118.6612 
1 1 1 3   16 13 o 397.5220 67.22572 3.590719       1.134177  2.871000       1.264385  6.555093       2.566046  321.1405 78.44191 473.9036 109.1973 -152.7630      134.4514 
1 1 1 3   16 14 o 256.8614 58.66662 1.385113       0.9264175 0.3630667      1.168689  3.113240       1.519678  184.4185 76.43207 329.3043 89.02374 -144.8857      117.3332 
1 1 1 3   16 15 o 328.9484 61.85205 3.245677       1.044837  3.613353       1.309332  2.601053       1.733687  358.0275 74.65349 299.8692 98.63854 58.15829       123.7041 
1 1 1 3   16 16 o 241.5936 64.45795 1.434345       1.058985  1.568621       1.682245  1.346207       1.362925  250.7288 95.54053 232.4585 86.55239 18.27023       128.9159 
1 1 1 3   16 17 o 295.9542 93.04691 2.702277       1.554240  0.000000       0.000000  2.702277       1.554240  ?        ?        295.9542 93.04691 ?              ?        
1 1 1 3   16 18 o 261.8484 75.02209 1.669769       1.462384  0.8974547      1.768818  3.337840       2.599522  218.4588 92.50601 305.2379 118.1351 -86.77908      150.0442 
1 1 1 3   16 19 f 371.4254 71.39349 4.794696       1.365421  4.816425       2.151142  4.780034       1.767023  362.9377 108.6110 379.9132 92.69180 -16.97552      142.7870 
1 1 1 3   16 20 o 214.8490 84.93159 1.305616       1.367415  1.305616       1.367415  0.000000       0.000000  214.8490 84.93159 ?        ?        ?              ?        
1 1 1 3   17 0  o 2229.950 55.17443 130.3089       5.817242  118.8925       9.994637  136.1577       7.153847  2149.246 91.85381 2310.653 61.15348 -161.4070      110.3489 
1 1 1 3   17 1  o 525.2480 33.52727 7.073237       0.8816308 7.273491       1.245979  6.872445       1.247651  532.8585 46.65662 517.6376 48.16089 15.22083       67.05454 
1 1 1 3   17 2  o 955.5719 50.88999 23.92302       2.393014  19.56431       3.495271  27.76872       3.283147  869.8095 80.27892 1041.334 62.56565 -171.5247      101.7800 
1 1 1 3   17 3  o 3574.560 80.69976 334.0904       13.69458  328.2921       23.78468  336.9658       16.74954  3533.571 132.9535 3615.548 91.50504 -81.97656      161.3995 
1 1 1 3   17 4  o 2438.410 63.69772 151.9927       7.863471  0.000000       0.000000  151.9927       7.863471  ?        ?        2438.410 63.69772 ?              ?        
1 1 1 3   17 5  o 849.7938 34.14449 18.47604       1.461415  19.12150       2.047523  17.80575       2.086535  865.2141 46.91895 834.3735 49.61852 30.84064       68.28899 
1 1 1 3   17 6  o 239.2049 58.07909 1.167439       0.6478906 1.084162       0.6986881 1.678479       1.730804  204.9695 62.02552 273.4403 98.21179 -68.47078      116.1582 
1 1 1 3   17 7  o 447.0537 55.85932 5.326477       1.033243  5.345273       1.178975  5.264231       2.145434  454.2918 52.20986 439.8156 98.76834 14.47620       111.7186 
1 1 1 3   17 8  o 777.4816 45.95192 16.02003       1.626415  16.55094       1.954577  14.82495       2.932498  803.1930 48.29168 751.7702 78.19354 51.42279       91.90384 
1 1 1 3   17 9  o 205.8745 51.29245 0.8415672      0.6128229 0.6240474      0.7212169 1.406497       1.162288  172.5586 63.19005 239.1903 80.81263 -66.63171      102.5849 
1 1 1 3   17 10 o 226.7121 51.83443 1.296702       0.6748348 1.173417       0.8994460 1.455480       1.020742  216.0801 71.04608 237.3441 75.49626 -21.26398      103.6689 
1 1 1 3   17 11 o 505.7515 38.52588 6.617705       0.9607283 6.218025       1.256224  7.180832       1.491124  488.1877 51.60972 523.3152 57.21372 -35.12750      77.05176 
1 1 1 3   17 12 o 321.0620 58.18134 2.539948       0.9646142 4.491835       1.621464  1.470761       1.200071  401.9281 82.45042 240.1958 82.11092 161.7323       116.3627 
1 1 1 3   17 13 o 681.6754 59.64097 13.42478       1.644869  13.95892       1.891992  11.77136       3.328779  729.3895 51.56849 633.9613 107.5587 95.42816       119.2819 
1 1 1 3   17 14 o 707.8046 39.57226 13.20915       1.399559  11.69639       1.888097  15.05403       2.085082  662.4348 56.84942 753.1745 55.06359 -90.73975      79.14452 
1 1 1 3   17 15 o 765.4669 45.56981 15.88008       1.652973  15.72233       2.034379  16.18656       2.835611  768.7912 52.58416 762.1425 74.44016 6.648682       91.13963 
1 1 1 3   17 16 o 237.9457 72.20139 -0.3265021     1.517042  -1.783862      1.819214  3.000470       2.748684  164.5735 78.50086 311.3179 121.2014 -146.7444      144.4028 
1 1 1 3   17 17 f 342.9346 104.9736 4.009222       1.993226  4.009222       1.993226  0.000000       0.000000  342.9346 104.9736 ?        ?        ?              ?        
1 1 1 3   17 18 o 267.5489 91.17854 2.347553       1.479712  2.347553       1.479712  0.000000       0.000000  267.5489 91.17854 ?        ?        ?              ?        
1 1 1 3   17 19 o 564.1484 59.98265 9.875730       1.623584  11.61112       2.646198  8.828048       2.056072  595.0289 90.71092 533.2681 78.50606 61.76080       119.9653 
1 1 1 3   17 20 o 195.6860 62.07950 0.4204121      1.180854  0.6517773E-02  1.423292  1.334559       2.115229  169.1198 76.72659 222.2523 97.61398 -53.13249      124.1590 
1 1 1 3   18 0  o 1110.119 41.61897 31.85748       2.213390  30.46757       3.728760  32.61368       2.750371  1088.540 68.00127 1131.698 48.00398 -43.15747      83.23795 
1 1 1 3   18 1  o 1783.300 48.01356 81.03207       4.117538  80.04319       5.070545  82.94675       7.055563  1770.715 56.56169 1795.884 77.60143 -25.16931      96.02711 
1 1 1 3   18 2  o 982.4077 47.41378 24.81981       2.339406  25.31267       3.431481  24.39181       3.197715  991.1122 68.81371 973.7031 65.24522 17.40912       94.82755 
1 1 1 3   18 3  f 211.1434 62.27145 1.159761       0.7111228 0.000000       0.000000  1.159761       0.7111228 ?        ?        211.1434 62.27145 ?              ?        
1 1 1 3   18 4  o 1191.484 39.69662 35.26089       2.263540  39.79065       3.983324  33.10059       2.750844  1243.805 63.46835 1139.164 47.69756 104.6416       79.39325 
1 1 1 3   18 5  o 245.1163 43.92415 1.599660       0.5467404 1.758328       0.7819396 1.447887       0.7647620 256.7047 61.05665 233.5279 63.16177 23.17673       87.84830 
1 1 1 3   18 6  o 358.6674 53.80503 2.996682       0.6564735 2.859682       0.6977289 4.053476       1.937856  332.2160 42.45512 385.1187 98.88119 -52.90271      107.6101 
1 1 1 3   18 7  o 902.8770 53.71159 21.45449       2.412492  23.88471       3.370182  18.90047       3.454956  958.1704 69.95826 847.5834 81.52043 110.5870       107.4232 
1 1 1 3   18 8  o 500.3248 58.01134 6.774712       1.191429  6.843607       1.361044  6.548818       2.464492  513.5610 53.11511 487.0886 103.1506 26.47247       116.0227 
1 1 1 3   18 9  o 764.4717 43.22892 15.94412       1.367799  16.60955       1.569550  13.84336       2.788766  806.3585 38.44707 722.5848 77.43887 83.77362       86.45783 
1 1 1 3   18 10 o 422.9984 50.96184 4.829940       1.047410  5.551468       1.501841  4.146650       1.461505  456.1020 67.04003 389.8948 76.77284 66.20718       101.9237 
1 1 1 3   18 11 o 297.8492 51.27806 2.697883       0.8376328 3.817145       1.063877  0.8724599      1.358649  378.4256 57.32508 217.2729 85.03879 161.1526       102.5561 
1 1 1 3   18 12 o 341.5973 59.66323 3.816869       1.098780  1.244611       1.973974  4.971662       1.322623  253.9729 101.5160 429.2218 62.71616 -175.2489      119.3265 
1 1 1 3   18 13 o 381.6318 75.46927 4.138888       1.439979  3.483119       1.743577  5.545752       2.553829  342.5786 96.44299 420.6851 116.1085 -78.10648      150.9385 
1 1 1 3   18 14 o 207.2942 60.15578 0.6733346      1.009539  0.7697630      1.463376  0.5857673      1.394518  212.3126 86.48851 202.2759 83.63377 10.03674       120.3116 
1 1 1 3   18 15 o 459.3271 77.79818 7.104525       1.722871  7.620022       2.075363  5.961646       3.090161  510.6745 83.13233 407.9796 131.5266 102.6949       155.5964 
1 1 1 3   18 16 o 322.0084 61.88009 3.361136       1.069811  4.038703       1.387835  2.368962       1.679406  368.4430 76.88757 275.5739 96.97878 92.86905       123.7602 
1 1 1 3   18 17 o 333.2455 68.64301 4.118547       1.371772  2.052993       2.296219  5.264825       1.710566  259.2561 107.2662 407.2348 85.68208 -147.9787      137.2860 
1 1 1 3   18 18 o 434.4768 79.34343 6.345669       1.557683  5.494520       1.779238  9.139088       3.223291  408.2902 88.61969 460.6634 131.6361 -52.37317      158.6869 
1 1 1 3   18 19 o 221.1499 63.14307 1.426578       1.074026  1.132230       1.387849  1.866058       1.695828  205.4715 84.02389 236.8283 94.27711 -31.35681      126.2861 
1 1 1 3   19 0  o 809.3795 48.77746 16.78579       1.989396  16.78579       1.989396  0.000000       0.000000  809.3795 48.77746 ?        ?        ?              ?        
1 1 1 3   19 1  o 1409.777 45.52131 52.22451       3.041892  54.51545       3.759828  47.88345       5.175588  1460.508 50.84876 1359.045 75.51928 101.4628       91.04262 
1 1 1 3   19 2  o 758.1198 40.52754 14.43434       1.506966  16.53518       2.471686  13.19136       1.901202  800.1077 61.48896 716.1318 52.81131 83.97589       81.05508 
1 1 1 3   19 3  o 430.3105 49.44820 4.794750       1.057674  0.000000       0.000000  4.794750       1.057674  ?        ?        430.3105 49.44820 ?              ?        
1 1 1 3   19 4  o 400.5882 57.85838 4.238150       1.035443  4.478268       1.966712  4.146070       1.217903  404.5013 97.23773 396.6750 62.73110 7.826324       115.7168 
1 1 1 3   19 5  o 188.8034 56.33852 0.9333368E-01  0.5913315 -0.1384037E-01 0.6244917 1.022864       1.839135  127.5203 54.51226 250.0864 98.61302 -122.5661      112.6770 
1 1 1 3   19 6  o 535.4999 37.04192 7.529685       0.9734147 8.768163       1.352659  6.199413       1.401893  583.5768 46.16003 487.4230 57.94538 96.15381       74.08384 
1 1 1 3   19 7  o 934.7350 46.00009 22.94053       1.936261  23.18645       2.290166  22.32415       3.625775  949.6599 47.78657 919.8102 78.61601 29.84973       92.00018 
1 1 1 3   19 8  o 508.2057 56.80678 6.756835       1.436578  6.756835       1.436578  0.000000       0.000000  508.2057 56.80678 ?        ?        ?              ?        
1 1 1 3   19 9  o 555.6306 49.92963 7.462623       1.127017  6.919016       1.256253  9.704394       2.551117  515.6148 48.70144 595.6464 87.17822 -80.03156      99.85926 
1 1 1 3   19 10 o 678.1599 35.79941 12.30505       1.126918  12.86417       1.377239  11.17230       1.960301  706.4637 38.65319 649.8561 60.26874 56.60760       71.59882 
1 1 1 3   19 11 f 303.6308 67.35197 2.653614       1.140092  2.322512       1.901190  2.839542       1.424677  292.2819 103.1488 314.9798 86.63419 -22.69794      134.7039 
1 1 1 3   19 12 o 529.4452 49.77400 6.567624       1.170847  5.260269       1.343939  10.68496       2.385015  439.9082 62.06866 618.9821 77.82858 -179.0739      99.54800 
1 1 1 3   19 13 o 210.0948 57.72499 1.028751       0.8146341 1.396908       0.8670629 -1.742269      2.378780  224.3959 69.32648 195.7938 92.31759 28.60210       115.4500 
1 1 1 3   19 14 o 373.8098 56.54735 3.307738       1.028301  1.660308       1.221411  7.317472       1.905532  242.7951 82.83855 504.8244 76.99472 -262.0293      113.0947 
1 1 1 3   19 15 o 415.7347 66.86080 5.479259       1.370819  5.239223       2.052753  5.672463       1.841646  401.0617 101.1214 430.4078 87.49814 -29.34613      133.7216 
1 1 1 3   19 16 o 586.6095 55.61281 10.12695       1.468015  9.672806       1.749650  11.20695       2.698161  584.5496 59.97099 588.6694 93.67294 -4.119873      111.2256 
1 1 1 3   19 17 o 378.2169 59.77485 4.529270       1.157552  2.632142       1.523208  7.122535       1.780879  275.9428 92.51634 480.4909 75.71564 -204.5482      119.5497 
1 1 1 3   19 18 o 250.2819 72.98339 1.972922       1.236592  1.844641       1.341613  2.697392       3.188282  236.2577 86.23485 264.3061 117.7703 -28.04845      145.9668 
1 1 1 3   19 19 o 269.5195 70.49739 2.630765       1.271886  1.513240       1.590177  4.615259       2.119053  215.9005 89.29108 323.1385 109.1175 -107.2381      140.9948 
1 1 1 3   20 0  o 285.9090 67.13354 2.196445       0.9551433 2.196445       0.9551433 0.000000       0.000000  285.9090 67.13354 ?        ?        ?              ?        
1 1 1 3   20 1  o 1097.815 35.00058 30.87475       1.945117  31.37492       2.751356  30.37498       2.750266  1106.808 49.10106 1088.822 49.89237 17.98596       70.00116 
1 1 1 3   20 2  o 1303.722 43.50352 43.95470       2.730177  43.71436       4.605616  44.08492       3.390030  1296.314 70.44133 1311.130 51.07096 -14.81677      87.00703 
1 1 1 3   20 3  f 558.7297 35.50595 8.064286       0.9933076 8.203586       1.426944  7.933328       1.383559  563.3643 50.56891 554.0950 49.85453 9.269287       71.01189 
1 1 1 3   20 4  o 282.0538 60.93837 1.916848       0.7653190 2.284026       1.927574  1.848135       0.8338603 301.9105 104.0314 262.1972 63.49334 39.71335       121.8767 
1 1 1 3   20 5  o 442.9033 39.13236 5.139227       0.8560138 4.807355       1.218705  5.462401       1.202628  427.9464 57.72311 457.8601 52.85271 -29.91367      78.26472 
1 1 1 3   20 6  f 138.5164 40.62251 0.1307144      0.4673106 0.2237813      0.6818436 0.4827516E-01  0.6417327 145.0210 59.05209 132.0118 55.79967 13.00914       81.24502 
1 1 1 3   20 7  o 192.5737 49.20690 0.8159718      0.6943263 1.415256       0.7393715 -3.657598      2.020102  229.2509 62.14608 155.8964 76.30951 73.35448       98.41380 
1 1 1 3   20 8  o 551.5626 91.89936 8.465726       2.475905  8.465726       2.475905  0.000000       0.000000  551.5626 91.89936 ?        ?        ?              ?        
1 1 1 3   20 9  o 635.7599 93.64262 11.39243       2.923776  0.000000       0.000000  11.39243       2.923776  ?        ?        635.7599 93.64262 ?              ?        
1 1 1 3   20 10 o 733.7789 51.69520 14.52173       1.653628  14.32979       1.923706  15.06496       3.236324  737.6852 51.83831 729.8725 89.45593 7.812744       103.3904 
1 1 1 3   20 11 f 620.4209 39.31005 10.44461       1.127022  10.75874       1.373179  9.796312       1.972722  641.6854 42.50972 599.1564 66.13655 42.52899       78.62010 
1 1 1 3   20 12 o 447.6531 45.00334 5.358488       0.9734076 4.678979       1.241164  6.444298       1.568949  412.6629 61.26898 482.6434 65.93417 -69.98044      90.00668 
1 1 1 3   20 13 o 252.2177 58.60643 1.850695       0.8510223 1.966739       1.047284  1.625114       1.460174  259.8990 75.26350 244.5364 89.85688 15.36261       117.2129 
1 1 1 3   20 14 o 446.1293 59.34354 5.969771       1.160207  5.941963       1.365054  6.042130       2.202002  462.0079 59.76075 430.2507 102.5440 31.75717       118.6871 
1 1 1 3   20 15 o 358.6792 66.58190 4.310819       1.230958  4.692342       1.679000  3.867414       1.810051  382.0385 88.53845 335.3199 99.46629 46.71854       133.1638 
1 1 1 3   20 16 o 197.9777 58.32384 0.8550902      0.9517824 0.7290492      1.224506  1.047465       1.512792  187.7289 78.05550 208.2265 86.68344 -20.49759      116.6477 
1 1 1 3   20 17 o 332.9408 68.68576 4.096920       1.230948  4.240541       1.622868  3.902352       1.888911  348.1896 91.03629 317.6920 102.8753 30.49762       137.3715 
1 1 1 3   20 18 o 424.7061 63.31888 6.348457       1.319844  5.523961       1.823960  7.254709       1.912253  388.4505 93.80553 460.9615 85.07434 -72.51102      126.6378 
1 1 1 3   21 0  o 1004.417 66.55283 26.32673       3.365089  26.32673       3.365089  0.000000       0.000000  1004.417 66.55283 ?        ?        ?              ?        
1 1 1 3   21 1  o 470.9715 58.55507 5.589838       1.270318  4.844006       1.524092  7.287023       2.299086  424.9697 73.49828 516.9733 91.17448 -92.00354      117.1101 
1 1 1 3   21 2  o 652.4650 35.92638 11.01464       1.177262  11.03376       1.676852  10.99605       1.653199  652.9367 51.13571 651.9932 50.47729 0.9434814      71.85275 
1 1 1 3   21 3  o 760.1855 34.99960 14.91431       1.334595  16.66293       1.921104  13.28323       1.855414  804.0145 47.40554 716.3567 51.50344 87.65778       69.99921 
1 1 1 3   21 4  o 600.0325 48.27924 9.290144       1.331410  8.919089       1.592878  10.15039       2.425354  585.0690 54.39946 614.9958 79.77618 -29.92682      96.55848 
1 1 1 3   21 5  o 511.5470 46.74247 6.213509       1.082032  8.895290       2.111819  5.258865       1.259986  576.3265 74.09360 446.7675 57.00503 129.5590       93.48495 
1 1 1 3   21 6  o 416.3003 54.19442 4.635698       0.9737983 4.944180       1.925879  4.529737       1.128720  418.6074 93.26167 413.9933 55.23045 4.614075       108.3888 
1 1 1 3   21 7  o 263.3139 57.95456 1.993844       0.8164028 2.264946       0.9177736 0.9659815      1.787051  287.5481 64.61810 239.0797 96.22591 48.46844       115.9091 
1 1 1 3   21 8  o 738.8712 53.01406 14.93773       1.650975  14.99636       1.900052  14.75706       3.335514  756.5521 49.88698 721.1902 93.55881 35.36182       106.0281 
1 1 1 3   21 9  o 551.2957 61.29840 8.436065       1.542827  8.038074       1.859071  9.316636       2.765298  541.3876 69.42678 561.2038 101.0440 -19.81622      122.5968 
1 1 1 3   21 10 o 474.3584 64.31451 6.963860       1.062041  7.138378       1.152709  5.983593       2.731943  520.9432 44.12098 427.7737 120.8253 93.16949       128.6290 
1 1 1 3   21 11 o 328.2068 53.24050 2.638165       0.7682205 2.136810       0.8757524 4.311895       1.600115  275.0177 64.08534 381.3960 85.03689 -106.3783      106.4810 
1 1 1 3   21 12 o 160.0481 50.35159 -0.5130709E-01 0.6438820 -0.1116250     0.7121399 0.2188640      1.507168  127.9876 56.41203 192.1086 83.41950 -64.12103      100.7032 
1 1 1 3   21 13 o 305.5964 62.94488 2.671825       0.9414303 2.671825       0.9414303 0.000000       0.000000  305.5964 62.94488 ?        ?        ?              ?        
1 1 1 3   21 14 o 402.0386 61.22519 5.115479       1.208856  4.600282       1.655088  5.704591       1.769836  378.2762 88.06902 425.8010 85.07609 -47.52475      122.4504 
1 1 1 3   21 15 o 414.5562 52.17516 5.128000       1.029047  4.501203       1.294160  6.205655       1.696931  385.4936 68.83684 443.6189 78.42499 -58.12531      104.3503 
1 1 1 3   21 16 o 190.8607 57.70707 0.6069068      0.8334599 0.3569665      0.9416830 1.510665       1.790658  157.9528 67.21555 223.7687 93.82159 -65.81593      115.4141 
1 1 1 3   21 17 o 321.2821 65.89754 3.985564       1.176986  4.642171       1.562463  3.124202       1.789574  364.7276 86.01418 277.8365 99.85741 86.89105       131.7951 
1 1 1 3   22 0  o 876.5560 49.79383 19.89815       2.200611  0.000000       0.000000  19.89815       2.200611  ?        ?        876.5560 49.79383 ?              ?        
1 1 1 3   22 1  o 479.0304 69.80421 6.149777       1.643131  6.149777       1.643131  0.000000       0.000000  479.0304 69.80421 ?        ?        ?              ?        
1 1 1 3   22 2  o 314.2071 46.49063 2.688012       0.7375414 1.317505       1.010006  4.253736       1.079545  226.9302 75.31855 401.4840 54.52186 -174.5538      92.98127 
1 1 1 3   22 3  o 155.6423 73.88261 -1.753975      1.572710  -1.753975      1.572710  0.000000       0.000000  155.6423 73.88261 ?        ?        ?              ?        
1 1 1 3   22 4  o 293.8615 71.82604 2.384430       1.059571  2.384430       1.059571  0.000000       0.000000  293.8615 71.82604 ?        ?        ?              ?        
1 1 1 3   22 5  o 422.4378 63.88523 5.938625       1.186907  6.832325       1.367421  3.208159       2.390150  508.7849 53.90771 336.0907 115.8415 172.6941       127.7705 
1 1 1 3   22 6  o 326.7642 44.76419 2.890361       0.7074615 3.164161       1.091071  2.691738       0.9292917 339.3524 65.88205 314.1759 60.62085 25.17651       89.52839 
1 1 1 3   22 7  o 232.2157 72.92310 1.475914       0.9549605 1.475914       0.9549605 0.000000       0.000000  232.2157 72.92310 ?        ?        ?              ?        
1 1 1 3   22 8  o 285.1612 70.03031 2.438493       1.254500  2.983684       1.406537  0.3177521      2.774092  319.0378 85.39318 251.2845 111.0179 67.75323       140.0606 
1 1 1 3   22 9  o 906.1135 47.42376 21.70276       1.699816  21.16380       1.889443  23.99074       3.892985  900.2496 41.45599 911.9775 85.30799 -11.72791      94.84753 
1 1 1 3   22 10 o 420.4186 69.38265 6.450995       1.325988  7.192175       1.486277  3.560039       2.935342  512.6915 58.29777 328.1457 125.9253 184.5458       138.7653 
1 1 1 3   22 11 o 302.3408 65.18896 2.964300       0.9240003 3.116384       0.9794165 1.733304       2.786468  333.1024 60.29710 271.5791 115.5970 61.52328       130.3779 
1 1 1 3   22 12 o 406.5216 54.73160 4.837427       0.9599211 4.731366       1.114143  5.142958       1.891001  413.5738 54.54197 399.4694 94.90714 14.10434       109.4632 
1 1 1 3   22 13 o 496.3952 63.25253 7.530774       1.444975  6.792500       1.745776  9.136848       2.574913  474.1466 75.23919 518.6438 101.6986 -44.49719      126.5051 
1 1 1 3   22 14 o 237.5871 60.51952 1.861615       0.9101042 1.983446       1.076574  1.556490       1.703739  247.6222 77.37306 227.5519 93.07984 20.07033       121.0390 
1 1 1 3   22 15 o 216.4359 57.43695 0.4975909      0.8745078 -0.6055804     1.022825  3.495618       1.686155  130.8394 61.32687 302.0323 97.13407 -171.1929      114.8739 
1 1 1 3   22 16 o 229.8251 62.80762 1.724623       0.9486451 1.469262       1.107599  2.427722       1.837863  211.7404 78.18566 247.9098 98.31679 -36.16937      125.6152 
1 1 1 3   22 17 f 242.9310 67.05445 2.271982       1.110621  1.801967       1.325010  3.382254       2.036470  220.2340 84.58305 265.6280 104.0716 -45.39403      134.1089 
1 1 1 3   23 0  o 307.7328 112.8241 2.500510       2.300152  0.000000       0.000000  2.500510       2.300152  ?        ?        307.7328 112.8241 ?              ?        
1 1 1 3   23 1  o 347.0973 73.34615 3.530955       1.447253  2.300270       2.111032  4.622325       1.987958  296.3913 108.1741 397.8033 99.08071 -101.4120      146.6923 
1 1 1 3   23 2  o 385.4595 55.03112 3.182275       0.9343873 2.106599       1.062081  6.866144       1.965481  274.5495 74.50789 496.3695 81.00786 -221.8200      110.0622 
1 1 1 3   23 3  o 809.4346 35.63928 17.16165       1.451328  18.40092       2.097187  16.02267       2.010529  837.9404 49.65705 780.9287 51.13522 57.01166       71.27856 
1 1 1 3   23 4  o 590.7999 37.36582 9.246653       1.104784  8.785213       1.554919  9.717083       1.569993  575.2244 54.02633 606.3754 51.63306 -31.15100      74.73164 
1 1 1 3   23 5  o 367.5157 44.94727 3.726999       0.8036464 3.452818       1.155792  3.983631       1.118195  352.4502 67.22696 382.5812 59.67884 -30.13098      89.89454 
1 1 1 3   23 6  o 222.8951 50.26658 1.378229       0.6414832 1.132240       1.017865  1.540306       0.8262136 211.3147 75.37713 234.4756 66.52222 -23.16087      100.5332 
1 1 1 3   23 7  o 311.7682 72.03680 2.788708       1.114175  2.788708       1.114175  0.000000       0.000000  311.7682 72.03680 ?        ?        ?              ?        
1 1 1 3   23 8  o 320.5197 73.38483 3.317866       1.331564  3.552172       1.570530  2.718822       2.511218  340.9214 89.75957 300.1179 116.1230 40.80347       146.7697 
1 1 1 3   23 9  o 451.4361 65.45261 5.967863       1.016516  5.855401       1.090544  6.712872       2.806859  467.4292 46.70868 435.4429 122.2885 31.98627       130.9052 
1 1 1 3   23 10 o 579.9240 60.57607 9.176250       1.191648  8.792362       1.282552  11.59999       3.222671  573.6281 44.51179 586.2198 112.6789 -12.59174      121.1521 
1 1 1 3   23 11 o 423.7470 69.80959 6.340924       1.101451  6.483410       1.178710  5.359655       3.093248  488.0142 48.34399 359.4798 130.9823 128.5343       139.6192 
1 1 1 3   23 12 o 204.8549 65.16565 0.4704112      0.8413321 0.3693360      0.8784714 1.590537       2.924413  158.0489 65.94716 251.6608 112.4154 -93.61198      130.3313 
1 1 1 3   23 13 o 441.6273 126.5192 8.659777       2.973815  8.659777       2.973815  0.000000       0.000000  441.6273 126.5192 ?        ?        ?              ?        
1 1 1 3   23 14 o 154.4253 51.99740 -0.4249602     0.9338993 0.6792912E-01  0.9918407 -4.277639      2.772992  148.0864 65.85540 160.7642 80.48593 -12.67778      103.9948 
1 1 1 3   23 15 o 164.4344 54.41112 0.4304546E-01  0.9069822 0.3343667      0.9623571 -2.272047      2.712903  154.9800 66.97715 173.8889 85.76911 -18.90891      108.8222 
1 1 1 3   23 16 o 225.5887 63.44041 1.943195       1.034923  1.804474       1.237536  2.265890       1.887487  220.6077 82.40878 230.5697 96.47557 -9.962067      126.8808 
1 1 1 3   24 0  o 724.0244 59.28194 15.11063       1.762045  15.37672       2.025470  14.28259       3.573038  760.7300 52.92050 687.3188 106.0981 73.41113       118.5639 
1 1 1 3   24 1  o 320.1619 68.50507 2.085521       0.9140609 5.150516       2.469651  1.599012       0.9839351 401.1263 115.4078 239.1975 73.84313 161.9288       137.0101 
1 1 1 3   24 2  o 478.5359 58.55295 6.942954       1.213752  7.483491       1.449901  5.676991       2.218893  527.8849 55.06238 429.1870 103.3534 98.69797       117.1059 
1 1 1 3   24 3  o 524.6137 38.99402 7.409838       1.019707  7.415576       1.463753  7.404429       1.421348  524.3294 56.00822 524.8980 54.26983 -0.5686035     77.98804 
1 1 1 3   24 4  o 263.7277 54.64331 1.997454       0.7782055 2.299863       1.141397  1.734768       1.063794  280.8991 77.66112 246.5562 76.89159 34.34288       109.2866 
1 1 1 3   24 5  o 220.9898 52.39229 1.352157       0.6783335 1.173301       1.160126  1.445070       0.8361636 215.8619 79.95630 226.1178 67.72590 -10.25592      104.7846 
1 1 1 3   24 6  o 520.0077 61.69505 7.488149       1.592533  7.488149       1.592533  0.000000       0.000000  520.0077 61.69505 ?        ?        ?              ?        
1 1 1 3   24 7  o 223.4423 60.83627 0.6160968      0.9741499 -0.3018965     1.170885  2.680411       1.755829  155.9662 70.28185 290.9183 99.32104 -134.9521      121.6725 
1 1 1 3   24 8  o 289.0026 57.87743 2.474557       0.8806418 3.219859       1.385907  1.969842       1.140489  322.4652 84.03961 255.5400 79.60233 66.92525       115.7549 
1 1 1 3   24 9  o 181.2960 56.49332 0.4579490      0.6683208 0.5628057      0.6949663 -0.8313544     2.436932  159.8213 61.28642 202.7708 94.92079 -42.94954      112.9866 
1 1 1 3   24 10 o 531.9822 67.61033 8.407097       1.465792  7.677120       1.648281  11.16697       3.204948  515.0024 64.64188 548.9620 118.7689 -33.95959      135.2207 
1 1 1 3   24 11 o 243.6706 69.94154 1.168544       0.8367375 0.8910559      0.8757984 4.072844       2.833365  183.2542 69.14973 304.0871 121.5960 -120.8329      139.8831 
1 1 1 3   24 12 o 246.6362 72.89928 1.978796       0.9736248 1.978796       0.9736248 0.000000       0.000000  246.6362 72.89928 ?        ?        ?              ?        
1 1 1 3   24 13 o 335.0436 86.02493 5.639892       1.804706  5.090705       2.126002  7.056195       3.414144  339.2207 109.0673 330.8664 133.0619 8.354279       172.0499 
1 1 1 3   24 14 f 307.2239 77.06584 3.765024       1.270040  3.169059       1.403141  6.466790       2.987545  288.4252 88.03649 326.0227 126.5154 -37.59747      154.1317 
1 1 1 3   24 15 f 259.9551 55.86151 2.978803       1.061348  3.973846       1.215696  -0.2104115     2.176436  342.2034 72.42919 177.7068 85.06494 164.4966       111.7230 
1 1 1 3   25 0  o 253.8207 56.64629 1.899331       0.8281260 2.229290       1.110923  1.486672       1.242364  274.8725 76.84206 232.7689 83.24966 42.10361       113.2926 
1 1 1 3   25 1  o 627.2714 60.14986 10.82538       1.788399  14.99426       3.096358  8.738432       2.190771  709.0193 88.16365 545.5235 81.84860 163.4958       120.2997 
1 1 1 3   25 2  o 651.1854 52.95440 11.46889       1.730662  11.46889       1.730662  0.000000       0.000000  651.1854 52.95440 ?        ?        ?              ?        
1 1 1 3   25 3  o 329.7526 60.20724 3.896846       1.094714  4.812982       1.270522  1.256584       2.156879  414.2484 62.52759 245.2567 102.9075 168.9917       120.4145 
1 1 1 3   25 4  o 282.0218 63.54813 1.922951       1.018558  0.9224157      1.219851  4.226709       1.851011  203.2487 80.25867 360.7949 98.54951 -157.5462      127.0963 
1 1 1 3   25 5  o 248.6973 68.72614 0.9876796      1.260347  -0.2252135     1.530843  3.539503       2.220470  178.0735 80.29202 319.3211 111.5631 -141.2476      137.4523 
1 1 1 3   25 6  o 437.1996 68.19529 5.535984       1.460188  5.535984       1.460188  0.000000       0.000000  437.1996 68.19529 ?        ?        ?              ?        
1 1 1 3   25 7  o 295.9594 69.13882 2.977079       1.198184  3.138313       1.487613  2.679306       2.021650  310.5035 89.63834 281.4153 105.2885 29.08823       138.2776 
1 1 1 3   25 8  o 185.6094 53.94915 0.6814334      0.7870822 0.7107507      1.332189  0.6657118      0.9755552 193.7728 81.06255 177.4460 71.21029 16.32680       107.8983 
1 1 1 3   25 9  o 250.2758 67.00783 1.688829       0.8156288 1.578980       0.8549583 2.801063       2.720469  227.3794 68.56857 273.1723 115.1458 -45.79288      134.0157 
1 1 1 3   25 10 o 223.2627 67.70125 1.288428       1.106997  1.167676       1.206249  1.932932       2.786782  202.3346 79.83782 244.1908 109.3607 -41.85617      135.4025 
1 1 1 3   25 11 o 250.2627 65.58607 2.559710       1.187009  2.961163       1.292901  0.4057194      2.994813  288.4510 83.65157 212.0744 101.0373 76.37659       131.1721 
1 1 1 3   25 12 o 209.9743 72.53051 1.481723       0.9372441 1.481723       0.9372441 0.000000       0.000000  209.9743 72.53051 ?        ?        ?              ?        
1 1 1 3   25 13 o 243.4543 71.04093 2.826055       1.470223  3.096063       1.644988  1.754035       3.277750  267.2117 95.77024 219.6968 104.9539 47.51489       142.0819 
1 1 1 3   25 14 o 205.1333 62.87597 1.612771       1.197060  1.915698       1.288372  -0.2998876     3.237360  219.7971 83.64528 190.4695 93.89898 29.32756       125.7519 
1 1 1 3   26 0  o 423.3361 73.78220 4.861222       1.445626  3.264131       1.661809  9.829641       2.931063  314.0720 95.79563 532.6002 112.2428 -218.5282      147.5644 
1 1 1 3   26 1  o 364.3989 72.69315 4.136299       1.180036  5.349445       2.787917  3.871521       1.302462  369.0314 125.1567 359.7663 73.97955 9.265076       145.3863 
1 1 1 3   26 2  o 263.5776 63.08643 2.246942       1.036145  1.466801       1.728378  2.684607       1.294562  235.2667 94.65354 291.8884 83.42839 -56.62173      126.1729 
1 1 1 3   26 3  o 218.2889 62.74311 1.037976       0.9388435 0.8685762      1.064384  1.631701       1.992669  191.9144 75.22573 244.6633 100.4385 -52.74889      125.4862 
1 1 1 3   26 4  o 206.9058 63.09254 0.5961586      1.217209  0.9593734E-05  1.690101  1.238597       1.754490  187.9680 84.59527 225.8436 93.62861 -37.87564      126.1851 
1 1 1 3   26 5  o 297.5878 81.45980 2.826090       1.263105  2.826090       1.263105  0.000000       0.000000  297.5878 81.45980 ?        ?        ?              ?        
1 1 1 3   26 6  o 305.3120 67.14067 3.456249       1.149731  3.748782       1.289881  2.325279       2.536224  347.4937 75.47984 263.1302 111.0598 84.36353       134.2813 
1 1 1 3   26 7  o 193.6066 57.92511 0.6417719      0.7691190 1.440405       1.866984  0.4785332      0.8440700 227.2540 95.56808 159.9593 65.48296 67.29475       115.8502 
1 1 1 3   26 8  o 203.6887 60.60499 0.5560245      0.8824671 2.546741       1.949799  0.4319476E-01  0.9896272 258.6792 101.6843 148.6982 65.97086 109.9810       121.2100 
1 1 1 3   26 9  o 233.0695 51.55567 1.904439       0.7741333 2.604447       0.9645946 0.6376749      1.297601  286.0443 67.66677 180.0946 77.80204 105.9497       103.1113 
1 1 1 3   26 10 o 219.3134 56.24123 1.842997       0.8632529 2.178543       0.9078568 -1.322269      2.788345  256.7112 68.55930 181.9156 89.17356 74.79565       112.4825 
1 1 1 3   26 11 o 172.0177 67.68454 0.8661370      0.8646839 0.8661370      0.8646839 0.000000       0.000000  172.0177 67.68454 ?        ?        ?              ?        
1 1 1 3   26 12 o 221.6021 73.73828 1.768544       0.9678425 1.768544       0.9678425 0.000000       0.000000  221.6021 73.73828 ?        ?        ?              ?        
1 1 1 3   26 13 o 185.5316 61.09829 0.9055598      1.355185  1.278052       1.499562  -0.7542135     3.165412  190.3735 82.93504 180.6896 89.74287 9.683853       122.1966 
1 1 1 3   26 14 o 177.5551 59.53398 0.8895139      1.170906  0.8411691      1.248340  1.243334       3.377141  167.4414 74.19941 187.6688 93.12157 -20.22742      119.0680 
1 1 1 3   27 0  o 290.7557 62.56832 2.868421       1.040466  2.076140       1.494637  3.613357       1.449292  250.6463 91.09102 330.8651 85.79979 -80.21883      125.1366 
1 1 1 3   27 1  o 337.9048 60.07797 3.920280       1.075904  2.588949       1.614599  4.983582       1.442946  272.5981 95.13882 403.2115 73.38974 -130.6135      120.1559 
1 1 1 3   27 2  o 198.7670 58.66369 0.5221655      0.9545201 1.922559       1.658760  -0.1711220     1.167119  243.1279 94.29226 154.4062 69.81893 88.72162       117.3274 
1 1 1 3   27 3  o 211.0914 63.42628 0.9485816      0.9664240 1.582190       2.275072  0.8090773      1.067527  237.1842 102.7412 184.9987 74.40306 52.18555       126.8526 
1 1 1 3   27 4  o 248.0269 63.92274 1.430949       0.9922174 0.5107377      1.157784  3.975965       1.925435  175.2197 74.54588 320.8341 103.8623 -145.6144      127.8455 
1 1 1 3   27 5  o 128.6419 62.98122 -1.916202      1.378091  -1.916202      1.378091  0.000000       0.000000  128.6419 62.98122 ?        ?        ?              ?        
1 1 1 3   27 6  f 198.5126 52.17445 1.221325       0.7471517 0.2168770      1.399087  1.622065       0.8837152 172.3316 77.31119 224.6936 70.08334 -52.36195      104.3489 
1 1 1 3   27 7  o 247.0956 59.35851 2.331382       0.8991010 1.485953       2.003873  2.544480       1.006053  216.2961 95.00362 277.8950 71.19017 -61.59885      118.7170 
1 1 1 3   27 8  o 143.5049 44.99837 -0.9894457E-01 0.6642109 0.7717279      1.028789  -0.7212726     0.8697783 172.7447 71.66238 114.2650 54.44188 58.47963       89.99675 
1 1 1 3   27 9  o 171.3562 51.00010 0.6009600      0.7758806 -0.6485738E-01 1.034066  1.458685       1.173666  140.9290 64.49594 201.7835 79.02098 -60.85457      102.0002 
1 1 1 3   27 10 o 174.3508 59.15873 0.7288325E-01  0.7739201 -0.1649479     0.8064054 2.847658       2.754437  123.5563 56.69586 225.1453 103.8489 -101.5890      118.3175 
1 1 1 3   27 11 o 209.0834 71.65541 1.597706       0.9139318 1.597706       0.9139318 0.000000       0.000000  209.0834 71.65541 ?        ?        ?              ?        
1 1 1 3   27 12 o 159.2416 53.27899 0.3112187      0.9375772 0.5567598      0.9816459 -2.240790      3.164709  154.1816 67.13683 164.3016 82.74810 -10.12001      106.5580 
1 1 1 3   27 13 o 175.3422 57.59297 1.175221       1.232392  1.512938       1.334759  -0.7766019     3.208826  184.9447 79.39401 165.7398 83.45293 19.20491       115.1859 
1 1 1 3   28 0  o 244.9686 61.28355 2.091844       0.9538293 1.618713       1.274990  2.693192       1.437404  220.1488 83.34621 269.7884 89.86715 -49.63963      122.5671 
1 1 1 3   28 1  o 76.66261 38.96675 -2.902680      0.8181391 -2.902680      0.8181391 0.000000       0.000000  76.66261 38.96675 ?        ?        ?              ?        
1 1 1 3   28 2  o 232.2070 62.65176 1.910829       0.9899139 1.914751       1.181047  1.901565       1.814977  234.4919 81.39549 229.9222 95.26672 4.569656       125.3035 
1 1 1 3   28 3  o 173.0316 73.28588 0.6419309      1.110543  0.000000       0.000000  0.6419309      1.110543  ?        ?        173.0316 73.28588 ?              ?        
1 1 1 3   28 4  o 182.0957 78.09572 0.7900108      1.289236  0.000000       0.000000  0.7900108      1.289236  ?        ?        182.0957 78.09572 ?              ?        
1 1 1 3   28 5  o 457.1353 65.75874 7.669667       1.328845  7.260436       1.560205  8.750790       2.535913  476.3134 66.51498 437.9572 113.4575 38.35623       131.5175 
1 1 1 3   28 6  o 256.5161 76.15280 2.389998       1.060666  0.000000       0.000000  2.389998       1.060666  ?        ?        256.5161 76.15280 ?              ?        
1 1 1 3   28 7  o 186.4212 56.49648 1.077630       0.8421212 1.178812       1.927112  1.053748       0.9362435 193.2858 88.30144 179.5565 70.50012 13.72926       112.9930 
1 1 1 3   28 8  o 135.1114 43.98706 -0.6735129E-01 0.6846553 -0.1535276     1.086690  -0.1062743E-01 0.8816463 138.2194 64.26408 132.0034 60.07973 6.216064       87.97413 
1 1 1 3   28 9  o 153.2082 48.11478 0.4029694      0.7427736 0.1467656      0.9952964 0.7250250      1.115899  141.5903 64.20798 164.8260 71.67611 -23.23566      96.22956 
1 1 1 3   28 10 o 181.6448 52.63881 1.227589       0.8199672 1.591544       0.9774787 0.3632719      1.506329  201.8594 73.61853 161.4303 75.25750 40.42914       105.2776 
1 1 1 3   28 11 o 251.9177 76.49306 2.609369       1.061317  2.609369       1.061317  0.000000       0.000000  251.9177 76.49306 ?        ?        ?              ?        
1 1 1 3   29 0  o 171.2148 53.38431 0.6523554      0.9011292 0.6072631      1.234386  0.7038064      1.318552  168.6397 74.30314 173.7899 76.67191 -5.150238      106.7686 
1 1 1 3   29 1  o 150.9862 48.47762 0.9720567E-01  0.8249004 0.5279338      1.075609  -0.5179245     1.285394  160.9245 70.16900 141.0478 66.90763 19.87668       96.95525 
1 1 1 3   29 2  o 177.5396 53.68285 0.8820813      0.8420675 0.6394701      1.089548  1.241950       1.326975  164.6699 71.21521 190.4094 80.34792 -25.73943      107.3657 
1 1 1 3   29 3  o 218.5892 64.91502 1.786101       1.058443  3.588758       2.177667  1.228521       1.211124  249.3696 103.9227 187.8089 77.81980 61.56079       129.8300 
1 1 1 3   29 4  o 213.4897 61.65653 1.571296       1.104285  3.672998       1.766760  0.2238106      1.414666  267.5564 98.75685 159.4230 73.84576 108.1333       123.3131 
1 1 1 3   29 5  o 118.9571 58.00381 -1.124476      1.134774  0.000000       0.000000  -1.124476      1.134774  ?        ?        118.9571 58.00381 ?              ?        
1 1 1 3   29 6  f 248.3211 82.43423 2.634373       1.209839  0.000000       0.000000  2.634373       1.209839  ?        ?        248.3211 82.43423 ?              ?        
1 1 1 3   29 7  o 182.6131 71.98220 1.250450       0.9796128 0.000000       0.000000  1.250450       0.9796128 ?        ?        182.6131 71.98220 ?              ?        
1 1 1 3   29 8  o 202.8456 57.79250 1.778754       0.8830690 2.404816       1.467999  1.423747       1.105442  218.2489 87.43507 187.4424 75.59763 30.80650       115.5850 
1 1 1 3   29 9  o 137.3706 45.37955 -0.1320162     0.7749408 0.7182385      1.190567  -0.7570568     1.020783  158.6235 71.22865 116.1177 56.24672 42.50578       90.75909 
1 1 1 3   29 10 o 119.8481 41.43887 -0.8638549     0.7824962 -1.345965      0.9931311 -0.7457931E-01 1.270714  102.5946 50.83627 137.1016 65.45528 -34.50700      82.87774 
1 1 1 3   30 0  o 216.2911 60.90668 2.224019       1.021106  1.539514       1.392270  3.020779       1.502100  189.4904 81.20871 243.0918 90.79450 -53.60139      121.8134 
1 1 1 3   30 1  o 139.8552 46.25616 -0.3554442     0.8859753 0.7534804      1.156201  -1.932787      1.378940  162.2224 71.67095 117.4881 58.49619 44.73433       92.51232 
1 1 1 3   30 2  o 207.2825 56.70033 1.934792       0.9559928 2.819624       1.255175  0.7123958      1.475299  249.1100 83.98064 165.4550 76.20343 83.65503       113.4007 
1 1 1 3   30 3  o 179.3907 87.19829 1.089896       2.509533  1.089896       2.509533  0.000000       0.000000  179.3907 87.19829 ?        ?        ?              ?        
1 1 1 3   30 4  o 135.1388 46.71098 -0.5696800     0.9240230 -1.229342      2.001549  -0.3910114     1.041669  144.8978 71.86313 125.3799 59.69384 19.51796       93.42197 
1 1 1 3   30 5  o 127.8854 61.34079 -0.4699636     1.144604  0.000000       0.000000  -0.4699636     1.144604  ?        ?        127.8854 61.34079 ?              ?        
1 1 1 3   30 6  o 129.7073 45.14746 -0.6027542     0.7846653 -0.1219960     1.796628  -0.7160707     0.8722514 151.5160 73.67930 107.8986 52.19706 43.61735       90.29491 
1 1 1 3   30 7  o 168.6880 53.97239 1.157165       0.9675059 0.2504449      2.408198  1.331685       1.056521  160.9541 79.64777 176.4220 72.85815 -15.46785      107.9448 
1 1 1 3   30 8  o 135.5161 44.95412 -0.5276367E-01 0.8448176 -1.495012      1.356563  0.8609650      1.079763  116.2723 57.91175 154.7599 68.77295 -38.48767      89.90823 
1 1 1 3   31 0  o 141.7606 48.19857 -0.8725339E-01 1.003704  -0.4347519     1.352577  0.3386100      1.497341  133.1027 64.54091 150.4185 71.60222 -17.31583      96.39713 
1 1 1 3   31 1  o 161.6837 50.09797 0.5490563      0.9494228 2.111229       1.222583  -1.824338      1.506950  203.7059 80.37731 119.6615 59.82235 84.04445       100.1959 
1 1 1 3   31 2  o 129.4805 44.39275 -0.5490021     0.9309425 0.1695752      1.071738  -2.757615      1.878934  136.1101 63.46219 122.8510 62.09200 13.25909       88.78550 
1 1 1 3   31 3  o 159.5894 73.67676 0.9218071      1.390999  0.9218071      1.390999  0.000000       0.000000  159.5894 73.67676 ?        ?        ?              ?        
1 1 1 3   31 4  o 175.0560 55.51200 1.608090       1.026307  1.431470       1.647455  1.720105       1.311995  169.1573 78.80762 180.9546 78.20287 -11.79733      111.0240 
1 1 1 3   31 5  o 151.7630 50.05093 0.7704832      0.9459143 0.5605283      1.343971  0.9765798      1.331565  147.0403 69.34853 156.4857 72.18839 -9.445450      100.1019 
1 1 1 3   31 6  o 195.2077 57.09029 2.356996       0.9270265 2.303892       1.446663  2.393995       1.207530  187.0410 81.47186 203.3744 79.99713 -16.33339      114.1806 
1 1 1 3   32 0  o 136.1185 46.73819 0.5175526E-01  1.005398  -0.9201397     1.368769  1.190523       1.481624  118.4681 58.86905 153.7688 72.61039 -35.30077      93.47638 
1 1 1 3   32 1  o 159.4332 52.54450 1.069470       0.9851416 0.6740307E-02  1.228272  2.986010       1.649461  128.2541 62.01814 190.6123 84.83778 -62.35818      105.0890 
1 1 1 3   32 2  f 165.8927 80.67970 0.1406610      1.591910  -2.730568      2.360619  2.535453       2.155886  ?        ?        165.8927 80.67970 ?              ?        
1 1 1 3   32 3  o 142.2794 48.44797 0.5488946      0.9923611 1.928290       1.570943  -0.3670367     1.280111  163.2820 76.36407 121.2768 59.64352 42.00517       96.89594 
1 1 1 4   0  0  o 2700.645 49.66839 185.0190       9.589185  185.0190       9.589185  185.0190       9.589185  2700.645 70.24171 2700.645 70.24171 0.000000       0.000000 
1 1 1 4   0  1  o 644.1645 31.31390 10.65252       1.428545  10.65252       1.428545  10.65252       1.428545  644.1645 44.28454 644.1645 44.28454 0.000000       0.000000 
1 1 1 4   0  2  o 618.3880 44.83075 9.983076       1.937081  9.983076       1.937081  9.983076       1.937081  618.3880 63.40026 618.3880 63.40026 0.000000       0.000000 
1 1 1 4   0  3  o 2332.677 45.21278 138.0828       7.538345  138.0828       7.538345  138.0828       7.538345  2332.677 63.94052 2332.677 63.94052 0.000000       0.000000 
1 1 1 4   0  4  o 2290.995 63.61354 133.6553       10.39797  133.6553       10.39797  133.6553       10.39797  2290.995 89.96313 2290.995 89.96313 0.000000       0.000000 
1 1 1 4   0  5  o ?        ?        4.190680       0.9551168 4.190680       0.9551168 4.190680       0.9551168 ?        ?        ?        ?        0.000000       0.000000 
1 1 1 4   0  6  o ?        ?        3.480293       0.9053331 3.480293       0.9053331 3.480293       0.9053331 ?        ?        ?        ?        0.000000       0.000000 
1 1 1 4   0  7  o 1434.565 36.03719 52.34057       3.690837  52.34057       3.690837  52.34057       3.690837  1434.565 50.96428 1434.565 50.96428 0.000000       0.000000 
1 1 1 4   0  8  o 267.1768 50.94725 2.160181       0.8422915 2.160181       0.8422915 2.160181       0.8422915 267.1768 72.05029 267.1768 72.05029 0.000000       0.000000 
1 1 1 4   0  9  o 580.7506 47.21795 8.890874       1.895981  8.890874       1.895981  8.890874       1.895981  580.7506 66.77626 580.7506 66.77626 0.000000       0.000000 
1 1 1 4   0  10 o 381.1710 39.78704 3.919869       1.016357  3.919869       1.016357  3.919869       1.016357  381.1710 56.26738 381.1710 56.26738 0.000000       0.000000 
1 1 1 4   0  11 o 4271.491 71.42490 466.1866       21.81619  466.1866       21.81619  466.1866       21.81619  4271.491 101.0101 4271.491 101.0101 0.000000       0.000000 
1 1 1 4   0  12 o 3149.583 56.10428 252.8260       12.63352  252.8260       12.63352  252.8260       12.63352  3149.583 79.34343 3149.583 79.34343 0.000000       0.000000 
1 1 1 4   0  13 o 836.0988 34.47676 17.92271       2.047809  17.92271       2.047809  17.92271       2.047809  836.0988 48.75750 836.0988 48.75750 0.000000       0.000000 
1 1 1 4   0  14 o 364.8578 68.30213 4.040339       1.541549  4.040339       1.541549  4.040339       1.541549  364.8578 96.59380 364.8578 96.59380 0.000000       0.000000 
1 1 1 4   0  15 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4   0  16 o 633.2955 53.55098 10.74489       2.336340  10.74489       2.336340  10.74489       2.336340  633.2955 75.73253 633.2955 75.73253 0.000000       0.000000 
1 1 1 4   0  17 o 1333.921 54.46791 46.70900       5.162295  46.70900       5.162295  46.70900       5.162295  1333.921 77.02926 1333.921 77.02926 0.000000       0.000000 
1 1 1 4   0  18 o 447.0392 47.36506 5.515435       1.415680  5.515435       1.415680  5.515435       1.415680  447.0392 66.98431 447.0392 66.98431 0.000000       0.000000 
1 1 1 4   0  19 o 346.9370 88.10944 4.367313       2.002228  4.367313       2.002228  4.367313       2.002228  346.9370 124.6056 346.9370 124.6056 0.000000       0.000000 
1 1 1 4   0  20 o 192.5135 81.56837 1.398966       2.010421  1.398966       2.010421  1.398966       2.010421  192.5135 115.3551 192.5135 115.3551 0.000000       0.000000 
1 1 1 4   0  21 o 138.9274 61.93562 0.4770129      1.305237  0.4770129      1.305237  0.4770129      1.305237  138.9274 87.59019 138.9274 87.59019 0.000000       0.000000 
1 1 1 4   0  22 o 495.9449 55.21796 7.345364       1.815406  7.345364       1.815406  7.345364       1.815406  495.9449 78.09000 495.9449 78.09000 0.000000       0.000000 
1 1 1 4   0  23 o 147.6024 64.62620 0.8543132      1.355642  0.8543132      1.355642  0.8543132      1.355642  147.6024 91.39524 147.6024 91.39524 0.000000       0.000000 
1 1 1 4   1  0  o 5896.879 114.0898 877.4362       32.18067  869.6448       39.41419  893.0162       55.73549  5858.920 132.8775 5934.837 185.4980 -75.91748      228.1796 
1 1 1 4   1  1  o 2991.527 65.37818 227.2945       9.324336  228.6027       11.42341  224.6830       16.14041  3004.690 75.09523 2978.365 107.0417 26.32520       130.7564 
1 1 1 4   1  2  o 7250.066 138.7946 1331.573       48.06995  1326.655       58.87564  1341.405       83.25330  7233.108 160.7782 7267.024 226.2878 -33.91602      277.5893 
1 1 1 4   1  3  o 1312.948 48.87544 43.64899       3.248793  0.000000       0.000000  43.64899       3.248793  ?        ?        1312.948 48.87544 ?              ?        
1 1 1 4   1  4  o 1790.248 48.66494 82.38258       4.129443  84.54097       5.058938  78.07308       7.148384  1826.458 54.70992 1754.038 80.49802 72.41943       97.32989 
1 1 1 4   1  5  o ?        ?        243.0235       8.574391  238.3461       12.12408  247.7039       12.12796  ?        ?        ?        ?        ?              ?        
1 1 1 4   1  6  f ?        ?        261.7698       9.148702  255.8722       12.93411  267.6749       12.94233  ?        ?        ?        ?        ?              ?        
1 1 1 4   1  7  o 1514.497 36.65640 58.16470       2.810528  58.75295       3.977405  57.57806       3.971974  1522.157 51.61271 1506.838 52.06625 15.31946       73.31281 
1 1 1 4   1  8  o 3464.515 74.31947 309.2064       12.22044  316.0134       14.97685  295.6465       21.13840  3526.162 83.89471 3402.867 122.6997 123.2947       148.6389 
1 1 1 4   1  9  o 2697.100 70.17223 185.0667       9.581778  0.000000       0.000000  185.0667       9.581778  ?        ?        2697.100 70.17223 ?              ?        
1 1 1 4   1  10 o 1662.427 47.02456 70.16133       3.733024  69.59922       4.566639  71.29352       6.481035  1654.306 54.52519 1670.548 76.63054 -16.24133      94.04911 
1 1 1 4   1  11 o 1641.822 38.22831 68.49474       3.177190  69.71899       4.493640  67.27094       4.492811  1656.548 53.58099 1627.097 54.54074 29.45044       76.45662 
1 1 1 4   1  12 f 2749.438 61.34928 190.5883       8.092482  201.4771       14.04298  185.1745       9.901933  2803.423 98.94346 2695.453 72.56121 107.9695       122.6986 
1 1 1 4   1  13 o 1817.550 49.52184 84.33496       4.295724  84.47264       7.437949  84.26605       5.262038  1815.973 80.90219 1819.127 57.13568 -3.153931      99.04369 
1 1 1 4   1  14 f 2083.652 61.86414 112.0035       6.525856  112.0723       9.199144  111.9339       9.259056  2084.437 87.17159 2082.867 87.80547 1.570557       123.7283 
1 1 1 4   1  15 o 1254.521 44.71699 40.68640       2.667241  41.27806       3.279623  39.53059       4.583859  1271.843 50.93387 1237.199 73.51311 34.64429       89.43398 
1 1 1 4   1  16 f 332.7933 48.12546 2.922843       0.7827769 3.662273       1.166155  2.316456       1.056045  372.0363 64.23581 293.5503 71.67985 78.48596       96.25092 
1 1 1 4   1  17 o 551.8643 48.23098 8.173409       1.248592  8.512245       1.563927  7.577797       2.073500  572.1143 54.65966 531.6143 79.48101 40.49994       96.46196 
1 1 1 4   1  18 o 174.1957 53.45404 -0.5015960E-01 0.8573385 0.2779252      1.046966  -0.7179689     1.493708  174.9814 72.41695 173.4100 78.64557 1.571381       106.9081 
1 1 1 4   1  19 o 394.6374 71.70439 4.259289       1.379840  0.000000       0.000000  4.259289       1.379840  ?        ?        394.6374 71.70439 ?              ?        
1 1 1 4   1  20 o 426.0460 73.57896 5.478726       1.572872  5.949281       2.090875  4.865334       2.387220  452.9565 94.24581 399.1354 113.0185 53.82108       147.1579 
1 1 1 4   1  21 o 377.8698 56.51104 4.136004       1.047284  4.181404       1.487450  4.091373       1.474797  380.0123 79.85214 375.7273 79.98518 4.285004       113.0221 
1 1 1 4   1  22 o 309.9979 59.80044 2.895140       0.9979697 1.997274       1.405542  3.807981       1.417215  261.1613 88.86469 358.8345 80.04649 -97.67316      119.6009 
1 1 1 4   1  23 o 233.1389 60.71713 1.506395       0.9656478 1.913115       1.293020  0.9934880      1.452034  252.5053 85.23676 213.7724 86.49263 38.73294       121.4343 
1 1 1 4   2  0  o 10644.68 200.7916 2882.153       101.9678  2885.706       124.8890  2875.049       176.6010  10662.06 231.3660 10627.31 328.2359 34.74609       401.5832 
1 1 1 4   2  1  o 5419.104 107.0518 749.9890       27.58537  761.0848       33.79103  727.8209       47.76229  5480.916 121.7768 5357.294 176.0986 123.6216       214.1035 
1 1 1 4   2  2  o 3810.601 79.47459 371.1103       14.39456  358.6069       24.91643  377.3737       17.63522  3761.344 130.8456 3859.857 90.24559 -98.51367      158.9492 
1 1 1 4   2  3  o 1861.981 56.14750 87.80350       5.292846  0.000000       0.000000  87.80350       5.292846  ?        ?        1861.981 56.14750 ?              ?        
1 1 1 4   2  4  o 2901.523 52.25285 213.7904       7.675401  216.1199       10.85654  211.4625       10.85277  2917.375 73.50481 2885.672 74.28650 31.70239       104.5057 
1 1 1 4   2  5  o ?        ?        74.23067       3.841285  73.02492       4.699745  76.65718       6.667080  ?        ?        ?        ?        ?              ?        
1 1 1 4   2  6  o 3092.194 56.01844 248.7345       8.768487  244.1392       12.39757  253.3342       12.40346  3062.847 79.95165 3121.542 78.48563 -58.69458      112.0369 
1 1 1 4   2  7  o 3886.871 65.61180 384.4794       12.91001  390.4649       18.25970  378.4969       18.25533  3917.278 92.07156 3856.464 93.50114 60.81421       131.2236 
1 1 1 4   2  8  o 1407.268 44.11695 50.61042       2.954072  51.21699       3.627479  49.41611       5.090063  1421.362 50.40997 1393.175 72.41586 28.18726       88.23391 
1 1 1 4   2  9  f 3418.679 83.94941 298.1286       14.52980  0.000000       0.000000  298.1286       14.52980  ?        ?        3418.679 83.94941 ?              ?        
1 1 1 4   2  10 o 1754.144 56.22852 78.74113       4.987050  83.17666       7.044388  74.28448       7.061149  1804.229 77.12016 1704.059 81.84782 100.1704       112.4570 
1 1 1 4   2  11 f 1786.116 49.00898 81.38702       4.163286  81.65821       5.087147  80.83698       7.244794  1792.500 56.05720 1779.731 80.40591 12.76868       98.01796 
1 1 1 4   2  12 o 1039.195 43.28084 27.96591       2.111829  28.76907       2.579305  26.33254       3.678263  1064.458 47.86199 1013.932 72.12596 50.52515       86.56168 
1 1 1 4   2  13 f 1985.425 52.06339 101.5507       4.919758  103.0742       6.035462  98.53384       8.493159  2011.292 59.27229 1959.557 85.61063 51.73547       104.1268 
1 1 1 4   2  14 o 701.0261 44.32425 12.62243       1.464006  12.77674       2.543460  12.54597       1.790320  702.1621 72.59733 699.8900 50.87422 2.272095       88.64851 
1 1 1 4   2  15 f 1378.283 45.85395 48.77381       2.992811  48.72836       3.649269  48.86716       5.230335  1381.478 52.17690 1375.087 75.41824 6.390747       91.70790 
1 1 1 4   2  16 o 667.0750 37.94361 11.50984       1.265941  12.45643       1.779374  10.53962       1.801452  695.7234 50.87079 638.4264 56.31192 57.29706       75.88722 
1 1 1 4   2  17 o 188.3589 53.72863 0.4458941      0.7939228 0.2363090      1.137181  0.6451864      1.108906  180.3420 75.12218 196.3758 76.83566 -16.03380      107.4573 
1 1 1 4   2  18 o 367.8036 50.88975 3.678281       0.9132926 4.023050       1.311318  3.353506       1.272728  385.6046 69.73811 350.0027 74.13274 35.60199       101.7795 
1 1 1 4   2  19 o 856.1888 52.86099 19.16310       2.280127  0.000000       0.000000  19.16310       2.280127  ?        ?        856.1888 52.86099 ?              ?        
1 1 1 4   2  20 o 325.6800 86.39950 3.053319       1.448024  3.053319       1.448024  0.000000       0.000000  325.6800 86.39950 ?        ?        ?              ?        
1 1 1 4   2  21 o 398.6413 61.37133 5.697226       1.293600  7.740291       1.580071  1.544189       2.252777  533.5776 59.50537 263.7050 107.3540 269.8727       122.7427 
1 1 1 4   2  22 o 187.2049 57.17526 0.7083732E-01  1.055760  -2.286495      2.027221  0.9481517      1.236711  167.3283 80.60517 207.0815 81.11011 -39.75320      114.3505 
1 1 1 4   2  23 f 227.0133 64.62313 0.7627524      1.105505  -0.5221698E-01 1.337547  2.519724       1.963906  172.6659 76.64558 281.3607 104.0675 -108.6948      129.2463 
1 1 1 4   3  0  o 7744.017 147.5999 1518.073       54.62886  1509.728       66.91265  1534.753       94.60233  7715.646 171.2980 7772.388 240.4162 -56.74219      295.1999 
1 1 1 4   3  1  o 2093.958 42.24481 111.0296       4.477808  108.8883       6.331550  113.1723       6.333606  2073.752 60.30724 2114.163 59.17374 -40.41016      84.48962 
1 1 1 4   3  2  o 3197.377 68.77693 259.4302       10.49290  257.8367       18.15655  260.2293       12.85739  3189.483 112.4422 3205.270 79.23270 -15.78662      137.5539 
1 1 1 4   3  3  o 5033.475 81.49651 643.3503       20.76726  637.9475       29.36827  648.7540       29.37041  5012.272 115.7337 5054.677 114.7712 -42.40527      162.9930 
1 1 1 4   3  4  o 2774.116 62.81237 197.8593       8.293818  195.4328       14.37940  199.0689       10.15284  2755.368 103.0807 2792.865 71.80492 -37.49658      125.6247 
1 1 1 4   3  5  o ?        ?        324.7462       12.83208  327.4088       15.71038  319.4095       22.24177  ?        ?        ?        ?        ?              ?        
1 1 1 4   3  6  o 4137.339 69.71098 440.4023       14.59995  448.3754       20.64900  432.4317       20.64590  4175.393 97.68278 4099.285 99.48144 76.10742       139.4220 
1 1 1 4   3  7  o 1709.027 47.08326 73.87140       3.843513  74.89707       6.668608  73.36120       4.703290  1717.156 76.70819 1700.897 54.61855 16.25940       94.16652 
1 1 1 4   3  8  f 641.1708 46.02802 10.49768       1.469375  11.55748       2.152004  9.572066       2.011158  671.8017 64.04868 610.5398 66.12172 61.26190       92.05604 
1 1 1 4   3  9  o 1397.990 51.88518 49.92705       3.659813  51.69645       5.113430  48.06867       5.240419  1424.758 70.89043 1371.222 75.78149 53.53552       103.7704 
1 1 1 4   3  10 o 2316.358 45.39045 136.7086       5.322907  135.8809       7.523950  137.5379       7.531510  2309.301 64.35491 2323.415 64.02824 -14.11426      90.78089 
1 1 1 4   3  11 o 3125.997 55.69356 249.3082       8.812689  243.9534       12.45197  254.6820       12.47410  3092.124 79.54221 3159.871 77.97517 -67.74756      111.3871 
1 1 1 4   3  12 o 1189.814 35.05404 35.96775       2.110173  37.54280       2.989271  34.40326       2.979224  1215.867 48.56187 1163.761 50.56567 52.10657       70.10807 
1 1 1 4   3  13 o 2286.059 55.73284 133.9680       6.088438  134.1109       7.472489  133.6856       10.50148  2292.446 64.38467 2279.671 90.99017 12.77515       111.4657 
1 1 1 4   3  14 o 149.4104 45.70197 -0.1670786     0.6543403 -1.453511      1.222829  0.3490631      0.7745630 138.1896 65.46631 160.6313 63.78748 -22.44165      91.40394 
1 1 1 4   3  15 o 569.0317 37.72694 8.376594       1.069168  7.734527       1.539067  8.975448       1.486373  547.1123 56.37174 590.9511 50.15490 -43.83881      75.45387 
1 1 1 4   3  16 o 194.3623 49.88937 0.5358282      0.7017719 -0.3086568     0.9571005 1.517738       1.032042  146.4395 64.92758 242.2852 75.76414 -95.84575      99.77873 
1 1 1 4   3  17 o 1266.890 37.28093 41.37259       2.391155  41.44526       3.386937  41.30038       3.376296  1267.983 52.76066 1265.797 52.68570 2.185791       74.56186 
1 1 1 4   3  18 o 607.1029 50.85637 10.17909       1.404414  10.81483       1.723777  8.923945       2.422076  643.7432 53.37276 570.4626 86.58424 73.28064       101.7127 
1 1 1 4   3  19 o 566.3981 53.83883 8.697676       1.404662  8.858695       2.459049  8.619690       1.711341  562.9819 89.25327 569.8143 60.23563 -6.832336      107.6777 
1 1 1 4   3  20 f 656.0789 40.85780 11.53749       1.325114  13.48592       1.875057  9.593485       1.872933  715.1287 52.14955 597.0290 62.91154 118.0997       81.71559 
1 1 1 4   3  21 o 160.9716 50.37521 -0.3365242     0.8402750 0.3690521      1.186607  -1.046209      1.190057  182.2914 76.40002 139.6519 65.67863 42.63951       100.7504 
1 1 1 4   3  22 o 132.6397 44.40028 -1.087100      0.7929962 -0.8459284     1.062242  -1.390712      1.191847  133.8742 62.66893 131.4052 62.91380 2.468964       88.80057 
1 1 1 4   3  23 o 192.6615 60.07915 0.1757897      1.066947  0.2768858E-01  1.287341  0.5007161      1.906808  171.9806 75.82224 213.3425 93.21485 -41.36188      120.1583 
1 1 1 4   4  0  o 4006.488 81.71099 407.3565       15.62300  405.1727       27.03056  408.4519       19.14456  3997.623 133.5579 4015.354 94.17551 -17.73120      163.4220 
1 1 1 4   4  1  o 4642.335 92.66329 547.8632       20.51278  542.4407       35.50244  550.5806       25.13238  4623.658 151.6662 4661.012 106.5050 -37.35352      185.3266 
1 1 1 4   4  2  o 671.9653 31.62867 11.49296       1.067918  12.32828       1.516556  10.67136       1.504050  696.4139 43.22728 647.5167 46.18326 48.89716       63.25734 
1 1 1 4   4  3  o 3547.275 60.79871 319.5997       10.91661  326.9346       15.44042  312.2686       15.43642  3588.106 84.99831 3506.444 86.95528 81.66162       121.5974 
1 1 1 4   4  4  o ?        ?        11.76725       1.261302  11.37682       2.188089  11.96154       1.543558  ?        ?        ?        ?        ?              ?        
1 1 1 4   4  5  o ?        ?        1.250277       0.6809993 0.9336396      0.9044768 1.664718       1.034778  ?        ?        ?        ?        ?              ?        
1 1 1 4   4  6  o 3864.229 93.85268 384.5499       18.35403  395.6658       25.92046  373.3719       25.99274  3921.299 130.5657 3807.159 134.8551 114.1401       187.7054 
1 1 1 4   4  7  o 2293.336 63.65223 133.4408       7.390351  133.4408       7.390351  0.000000       0.000000  2293.336 63.65223 ?        ?        ?              ?        
1 1 1 4   4  8  o 3261.402 70.30891 270.6960       10.95493  272.7249       18.96099  269.6794       13.42177  3266.705 114.6483 3256.100 81.41953 10.60498       140.6178 
1 1 1 4   4  9  o 1039.443 33.12361 27.43381       1.742903  27.66685       2.453381  27.19636       2.476454  1043.927 46.42064 1034.958 47.26329 8.969604       66.24722 
1 1 1 4   4  10 o 1225.625 43.46735 39.04294       2.524425  36.11701       4.309910  40.57098       3.114614  1187.579 72.02433 1263.670 48.68407 -76.09119      86.93471 
1 1 1 4   4  11 o 3030.322 65.82143 232.1578       9.549212  226.4468       11.66906  243.7358       16.61484  2979.672 77.35416 3080.971 106.5184 -101.2993      131.6429 
1 1 1 4   4  12 o 1026.996 33.92568 26.78881       1.763793  26.89107       2.481821  26.68445       2.507131  1029.000 47.63995 1024.992 48.31401 4.008789       67.85136 
1 1 1 4   4  13 o 1961.565 50.90447 97.84707       4.783639  96.60191       5.865764  100.3196       8.265738  1946.354 59.52769 1976.776 82.59247 -30.42224      101.8089 
1 1 1 4   4  14 o 317.2789 56.70584 2.721722       0.8816632 2.482593       1.517241  2.843637       1.083344  307.2880 91.04694 327.2699 67.62150 -19.98190      113.4117 
1 1 1 4   4  15 f 633.9827 46.57689 10.42256       1.375317  10.45433       2.411668  10.40725       1.674249  631.8708 76.97959 636.0944 52.45731 -4.223572      93.15378 
1 1 1 4   4  16 o 1602.872 49.38802 67.29719       3.720388  68.47578       4.529698  64.85396       6.521850  1632.788 54.79688 1572.956 82.18278 59.83215       98.77605 
1 1 1 4   4  17 o 389.8148 50.46641 4.105420       0.9564856 3.552028       1.347914  4.666700       1.357487  361.2122 76.10988 418.4174 66.29269 -57.20520      100.9328 
1 1 1 4   4  18 o 1047.174 44.05509 28.39731       2.198025  27.63330       2.685716  29.94710       3.825113  1032.738 51.36726 1061.611 71.58777 -28.87305      88.11018 
1 1 1 4   4  19 o 716.0309 45.73628 13.61367       1.548850  13.83109       2.662006  13.50240       1.904387  714.4016 74.70582 717.6603 52.78512 -3.258667      91.47256 
1 1 1 4   4  20 o 380.8915 62.23309 3.923325       1.131323  5.322298       1.962261  3.226776       1.384611  426.5007 93.45861 335.2823 82.20292 91.21838       124.4662 
1 1 1 4   4  21 o 294.4120 62.01781 2.563099       0.9974695 3.017285       1.465360  2.170947       1.361617  316.7865 88.14458 272.0375 87.26609 44.74899       124.0356 
1 1 1 4   4  22 o 461.4846 53.60667 6.145793       1.205475  6.869855       1.756402  5.500984       1.657492  489.4963 73.11577 433.4728 78.41419 56.02353       107.2133 
1 1 1 4   4  23 o 254.9307 67.74203 1.640705       1.145527  0.9279962      1.397893  3.097755       1.998735  207.9297 84.59771 301.9318 105.8261 -94.00206      135.4841 
1 1 1 4   5  0  o 2129.489 60.89953 114.8611       6.565578  0.000000       0.000000  114.8611       6.565578  ?        ?        2129.489 60.89953 ?              ?        
1 1 1 4   5  1  o 1370.652 71.09349 47.73598       4.916397  0.000000       0.000000  47.73598       4.916397  ?        ?        1370.652 71.09349 ?              ?        
1 1 1 4   5  2  o 4271.554 90.79663 473.4054       18.31161  439.6883       31.73734  490.2310       22.41974  4150.503 151.0379 4392.604 100.8149 -242.1011      181.5933 
1 1 1 4   5  3  o 1735.408 47.04520 76.79939       3.898345  75.49142       4.760443  79.46223       6.792358  1717.600 54.74464 1753.216 76.52468 -35.61560      94.09040 
1 1 1 4   5  4  o ?        ?        8.999148       1.079811  9.307863       1.308475  8.340022       1.911924  ?        ?        ?        ?        ?              ?        
1 1 1 4   5  5  o 1352.602 44.22553 47.52102       2.833688  47.44978       4.939064  47.55597       3.459749  1345.247 72.79102 1359.958 50.24994 -14.71106      88.45106 
1 1 1 4   5  6  o 281.8444 49.73294 2.119278       0.6544888 2.191433       0.7660107 1.924172       1.259611  289.2362 54.30600 274.4526 83.33259 14.78363       99.46588 
1 1 1 4   5  7  o 1141.668 41.14833 33.45886       2.233372  34.16956       2.749492  32.08046       3.829118  1161.097 46.77354 1122.239 67.71246 38.85803       82.29667 
1 1 1 4   5  8  o 1777.868 48.11541 79.99157       4.099717  81.42888       7.070731  79.26365       5.031884  1788.689 78.08109 1767.048 56.24691 21.64099       96.23083 
1 1 1 4   5  9  o 612.3954 33.51030 9.584986       1.030121  10.00744       1.460373  9.166626       1.453276  626.0251 46.40790 598.7657 48.35357 27.25934       67.02060 
1 1 1 4   5  10 o 1605.631 47.03550 65.85986       3.598328  65.15732       6.233098  66.21103       4.406817  1597.415 77.07304 1613.846 53.93605 -16.43127      94.07099 
1 1 1 4   5  11 o 552.6323 47.47670 7.489871       1.141186  7.087855       1.313587  8.726972       2.304305  525.9658 49.92928 579.2989 80.76643 -53.33313      94.95340 
1 1 1 4   5  12 o 1782.944 39.90250 80.87608       3.601574  81.62649       5.081172  80.11841       5.105708  1791.319 56.02826 1774.569 56.83022 16.75000       79.80501 
1 1 1 4   5  13 o 1379.063 36.39658 48.43413       2.540755  47.92419       3.612086  48.93352       3.574548  1371.792 52.00990 1386.335 50.92950 -14.54211      72.79316 
1 1 1 4   5  14 o 1555.566 38.15082 61.77589       3.003401  59.78886       4.244635  63.76819       4.250273  1530.311 54.78694 1580.822 53.10680 -50.51135      76.30164 
1 1 1 4   5  15 o 1298.601 45.79470 43.83778       2.812277  42.15118       4.868288  44.68250       3.445285  1274.995 75.76019 1322.207 51.46856 -47.21240      91.58940 
1 1 1 4   5  16 o 702.1747 46.81512 12.68793       1.533845  12.36604       1.853564  13.38718       2.731936  691.8408 53.33111 712.5085 76.95723 -20.66772      93.63024 
1 1 1 4   5  17 o 836.1741 36.52689 18.13309       1.536228  19.02559       2.155233  17.21131       2.190300  857.8406 49.84023 814.5076 53.41168 43.33307       73.05379 
1 1 1 4   5  18 o 615.0004 46.51656 10.31567       1.334155  10.93106       1.663016  9.204362       2.234812  647.4111 51.15462 582.5897 77.70692 64.82135       93.03312 
1 1 1 4   5  19 o 682.2668 38.98919 12.25443       1.332388  12.12081       1.822351  12.40788       1.952986  679.0549 53.44008 685.4786 56.78719 -6.423706      77.97837 
1 1 1 4   5  20 o 324.7796 68.01853 3.087738       1.131197  3.065612       2.129440  3.096436       1.335163  321.3970 109.3804 328.1622 80.88268 -6.765167      136.0371 
1 1 1 4   5  21 o 272.7681 65.56000 1.588402       1.079181  0.5826120      1.292792  3.900266       1.960000  195.2988 80.61916 350.2373 103.4070 -154.9385      131.1200 
1 1 1 4   5  22 o 287.1554 60.89565 2.376798       1.033725  1.138048       1.409153  3.820126       1.521068  220.2003 86.48103 354.1105 85.75635 -133.9102      121.7913 
1 1 1 4   5  23 o 493.7248 56.51344 7.403738       1.346878  7.091585       2.036055  7.646622       1.795998  476.3672 87.65350 511.0824 71.35781 -34.71527      113.0269 
1 1 1 4   6  0  o 1346.737 50.11753 46.13836       3.404881  46.67801       4.818405  45.60014       4.812059  1354.659 70.50053 1338.815 71.25127 15.84460       100.2351 
1 1 1 4   6  1  o 2254.825 89.15359 129.3626       10.17736  0.000000       0.000000  129.3626       10.17736  ?        ?        2254.825 89.15359 ?              ?        
1 1 1 4   6  2  o 2438.280 68.02783 156.5771       8.396581  159.2161       11.87280  153.9366       11.87632  2459.679 95.34351 2416.881 97.06059 42.79810       136.0557 
1 1 1 4   6  3  o ?        ?        160.8787       6.113130  160.5256       8.644054  161.2319       8.646489  ?        ?        ?        ?        ?              ?        
1 1 1 4   6  4  o ?        ?        127.1517       4.994999  125.2733       7.062240  129.0319       7.065753  ?        ?        ?        ?        ?              ?        
1 1 1 4   6  5  o 2197.622 54.69356 124.2033       5.698191  119.6356       9.897776  126.4678       6.968917  2164.582 90.31917 2230.662 61.70890 -66.08032      109.3871 
1 1 1 4   6  6  o 1115.712 41.00414 31.26768       2.173256  30.58190       2.643952  32.69614       3.815895  1098.399 47.54554 1133.025 66.81900 -34.62561      82.00828 
1 1 1 4   6  7  o 2683.170 49.77274 182.8283       6.760980  181.0610       9.557806  184.5984       9.565136  2670.153 70.70309 2696.187 70.07409 -26.03369      99.54549 
1 1 1 4   6  8  o 708.4757 40.76274 13.34608       1.357287  11.22078       2.248151  14.56505       1.702599  660.5800 68.20440 756.3715 44.66056 -95.79150      81.52549 
1 1 1 4   6  9  o 1849.576 40.24977 87.06301       3.768588  85.56040       5.322390  88.57378       5.336816  1833.499 57.33798 1865.653 56.50251 -32.15417      80.49955 
1 1 1 4   6  10 o 483.9615 45.70179 5.996136       1.007560  6.249542       1.823357  5.884745       1.208894  489.2685 76.08263 478.6546 50.65618 10.61389       91.40358 
1 1 1 4   6  11 o 2321.304 54.82404 135.0628       6.097852  130.2187       7.438649  144.9872       10.64722  2261.725 64.96367 2380.882 88.33131 -119.1570      109.6481 
1 1 1 4   6  12 o 1530.124 45.73829 59.76996       3.351788  59.91778       4.123463  59.48207       5.754515  1534.734 53.06953 1525.514 74.50900 9.219971       91.47659 
1 1 1 4   6  13 o 712.6914 41.34466 12.73183       1.430572  14.28184       2.395851  11.87300       1.783391  744.7289 64.17102 680.6539 52.14981 64.07501       82.68932 
1 1 1 4   6  14 f 1906.368 41.77290 92.96911       4.031665  92.77164       5.698442  93.16701       5.704834  1904.331 59.10580 1908.405 59.04579 -4.073730      83.54580 
1 1 1 4   6  15 f 1809.458 50.63736 84.48103       4.359894  84.79088       7.587790  84.32831       5.327085  1805.757 82.99889 1813.159 58.03233 -7.402344      101.2747 
1 1 1 4   6  16 o 1038.724 45.30834 27.81589       2.211061  27.46246       2.675474  28.57726       3.926891  1033.902 51.11375 1043.546 74.82491 -9.643921      90.61668 
1 1 1 4   6  17 o 497.8254 42.60165 6.526544       1.051041  6.306940       1.452245  6.768092       1.523076  489.0393 59.90883 506.6116 60.58492 -17.57227      85.20329 
1 1 1 4   6  18 o 166.6891 51.13757 -0.3461514     0.8288900 0.5446559      1.240478  -1.064735      1.114130  197.3890 79.91586 135.9892 63.82521 61.39972       102.2751 
1 1 1 4   6  19 o 576.2024 44.95975 8.884319       1.287174  9.194713       1.891810  8.616769       1.756401  584.9401 64.98082 567.4648 62.15313 17.47528       89.91951 
1 1 1 4   6  20 o 221.8455 59.86374 1.129721       0.9357363 0.4649144      1.635310  1.453359       1.140990  210.4726 89.02543 233.2183 80.05711 -22.74577      119.7275 
1 1 1 4   6  21 o 275.2609 72.13354 2.138309       1.261364  2.061176       1.502706  2.322274       2.320723  265.4005 91.83057 285.1212 111.2661 -19.72070      144.2671 
1 1 1 4   6  22 o 364.2594 56.37677 3.814744       1.046337  6.235870       1.616626  2.069324       1.372621  466.2083 70.71185 262.3105 87.82481 203.8978       112.7535 
1 1 1 4   7  0  o ?        ?        683.4825       31.10745  685.8551       43.99200  681.1098       43.99317  ?        ?        ?        ?        ?              ?        
1 1 1 4   7  1  o ?        ?        947.5383       60.01661  0.000000       0.000000  947.5383       60.01661  ?        ?        ?        ?        ?              ?        
1 1 1 4   7  2  o ?        ?        967.9316       43.31509  977.2213       61.25710  958.6422       61.25647  ?        ?        ?        ?        ?              ?        
1 1 1 4   7  3  o ?        ?        176.6053       7.540150  179.3020       13.10805  175.2718       9.217885  ?        ?        ?        ?        ?              ?        
1 1 1 4   7  4  o 1213.284 41.14547 37.08451       2.376183  38.86592       4.160563  36.22218       2.894726  1232.664 66.91971 1193.904 47.89105 38.76025       82.29095 
1 1 1 4   7  5  o 2290.351 55.09019 134.1439       5.993117  130.9989       10.41259  135.7019       7.328732  2268.468 90.66558 2312.233 62.60566 -43.76440      110.1804 
1 1 1 4   7  6  o 997.6774 46.05952 25.22807       2.326447  25.22807       2.326447  0.000000       0.000000  997.6774 46.05952 ?        ?        ?              ?        
1 1 1 4   7  7  o 1841.691 48.70817 85.54079       4.305387  88.28036       7.427941  84.15475       5.283420  1862.593 78.77107 1820.789 57.31546 41.80408       97.41634 
1 1 1 4   7  8  o 3721.576 63.98456 354.8925       12.04511  337.6960       17.01944  372.1494       17.04932  3630.184 92.60470 3812.969 88.32024 -182.7847      127.9691 
1 1 1 4   7  9  o 2430.968 47.04613 150.7076       5.789360  153.5361       8.189377  147.8820       8.185406  2453.934 65.91805 2408.001 67.14286 45.93237       94.09226 
1 1 1 4   7  10 o 1713.459 38.85322 74.61959       3.370222  73.52592       4.756207  75.72252       4.776284  1700.813 55.23581 1726.105 54.65618 -25.29236      77.70644 
1 1 1 4   7  11 o 1075.469 34.15049 29.39380       1.857978  29.91283       2.591446  28.84478       2.665266  1085.328 47.16259 1065.610 49.40357 19.71716       68.30097 
1 1 1 4   7  12 o 3166.351 69.25510 257.4036       10.49366  254.9343       12.86782  262.3062       18.13123  3153.297 80.60396 3179.404 112.6414 -26.10645      138.5102 
1 1 1 4   7  13 o 982.2751 43.20690 25.51064       2.009437  22.26435       3.357667  27.32211       2.508188  928.7840 71.96864 1035.766 47.83156 -106.9824      86.41380 
1 1 1 4   7  14 o 776.8668 34.51286 15.47095       1.348344  14.49238       1.906729  16.44977       1.906965  751.8832 50.38186 801.8504 47.18283 -49.96722      69.02573 
1 1 1 4   7  15 o 1332.029 36.73722 45.44667       2.473698  48.77338       3.527967  42.22943       3.469443  1380.417 50.48131 1283.641 53.38663 96.77625       73.47445 
1 1 1 4   7  16 o 511.3295 41.84837 6.853745       1.061909  6.556852       1.510490  7.143878       1.493191  499.7177 60.96898 522.9413 57.34047 -23.22369      83.69675 
1 1 1 4   7  17 o 1046.902 43.99767 28.86952       2.214761  29.30011       2.763061  28.09567       3.704151  1064.228 51.28285 1029.576 71.50699 34.65173       87.99534 
1 1 1 4   7  18 o 459.6365 56.38415 5.475193       1.223818  7.394851       2.082253  4.462127       1.512657  517.4616 82.23374 401.8113 77.16411 115.6503       112.7683 
1 1 1 4   7  19 o 428.7095 51.38843 5.096427       1.045448  7.223941       1.536335  3.261680       1.426717  519.6157 59.47202 337.8034 83.82220 181.8122       102.7769 
1 1 1 4   7  20 o 262.9059 61.30510 1.930392       0.9782337 1.261312       1.394084  2.579405       1.373019  229.6366 87.10046 296.1752 86.29468 -66.53856      122.6102 
1 1 1 4   7  21 o 376.9228 71.10827 4.322362       1.354931  3.509444       1.707770  5.703385       2.225904  333.9022 95.94090 419.9434 104.9804 -86.04117      142.2165 
1 1 1 4   7  22 o 519.7726 68.62193 8.437482       1.642223  8.246991       2.007891  8.822380       2.854142  530.0644 77.08013 509.4807 113.5541 20.58365       137.2439 
1 1 1 4   8  0  o ?        ?        242.5600       12.14211  246.3498       17.17302  238.7714       17.17004  ?        ?        ?        ?        ?              ?        
1 1 1 4   8  1  o ?        ?        53.39081       3.766065  56.40363       5.333921  50.39577       5.318153  ?        ?        ?        ?        ?              ?        
1 1 1 4   8  2  o ?        ?        150.8051       8.159661  151.5249       11.53635  150.0845       11.54266  ?        ?        ?        ?        ?              ?        
1 1 1 4   8  3  o 1538.317 52.69065 60.53062       4.089832  64.58047       5.804550  56.53790       5.763461  1590.867 72.06942 1485.767 76.88444 105.0997       105.3813 
1 1 1 4   8  4  o 1875.410 40.24720 89.26915       3.820682  91.10152       5.400149  87.43254       5.406376  1894.734 56.29554 1856.086 57.53400 38.64807       80.49440 
1 1 1 4   8  5  o 1541.453 37.50680 60.25110       2.926920  59.67351       4.136892  60.83004       4.141694  1534.044 53.26632 1548.861 52.81799 -14.81677      75.01360 
1 1 1 4   8  6  o 1781.322 56.54866 80.80782       5.091578  76.78138       7.273829  84.67606       7.129499  1737.473 82.69160 1825.172 77.15633 -87.69946      113.0973 
1 1 1 4   8  7  o 1162.327 41.52967 34.42189       2.317499  34.29984       3.935901  34.48666       2.867229  1159.050 67.36526 1165.605 48.58781 -6.555664      83.05933 
1 1 1 4   8  8  o 2103.709 42.65410 112.7211       4.542840  112.9721       6.418265  112.4692       6.430844  2106.082 60.19475 2101.335 60.44899 4.747070       85.30820 
1 1 1 4   8  9  o 2155.150 43.37360 118.2621       4.731888  120.3378       6.690722  116.1848       6.693079  2174.183 60.78453 2136.116 61.88956 38.06689       86.74721 
1 1 1 4   8  10 o 1168.172 34.50968 34.66190       2.040030  33.37162       2.878052  35.96479       2.892075  1146.258 49.59440 1190.086 48.00069 -43.82849      69.01936 
1 1 1 4   8  11 o 1397.321 46.30458 51.33474       3.038065  45.57631       5.216302  54.29078       3.737363  1333.156 77.62141 1461.486 50.51112 -128.3297      92.60916 
1 1 1 4   8  12 o 1488.322 37.67586 56.47839       2.836451  58.43319       3.981743  54.46436       4.041623  1514.729 51.92237 1461.915 54.60722 52.81458       75.35172 
1 1 1 4   8  13 o 1253.449 35.67788 40.06125       2.263911  39.65646       3.178813  40.47787       3.224993  1247.044 50.35000 1259.854 50.56205 -12.80994      71.35575 
1 1 1 4   8  14 o 672.2041 37.12276 11.61651       1.248334  12.96618       1.792950  10.34669       1.739103  710.7703 50.14762 633.6379 54.75047 77.13239       74.24552 
1 1 1 4   8  15 o 1543.766 38.42825 61.21981       2.999640  65.19370       4.268209  57.34158       4.216525  1593.863 52.89457 1493.670 55.75919 100.1934       76.85651 
1 1 1 4   8  16 o 797.1378 44.95369 16.03445       1.670308  18.26332       3.056413  15.08533       1.994485  831.0999 73.39399 763.1758 51.92935 67.92413       89.90737 
1 1 1 4   8  17 o 709.6494 46.39182 13.60932       1.558368  14.29883       1.953719  12.40337       2.583796  740.6868 52.43972 678.6121 76.54332 62.07465       92.78365 
1 1 1 4   8  18 o 701.0200 48.33528 13.35814       1.574792  12.67107       2.723410  13.70327       1.930211  679.3970 80.76025 722.6429 53.13172 -43.24585      96.67056 
1 1 1 4   8  19 o 180.7239 55.27135 -0.7660191E-01 0.9432372 0.5390391      1.379575  -0.6170232     1.292551  201.9524 83.31535 159.4955 72.65150 42.45694       110.5427 
1 1 1 4   8  20 o 379.6524 58.97014 4.347058       1.182227  6.920190       1.690366  1.883242       1.654069  497.7938 68.92209 261.5110 95.70609 236.2828       117.9403 
1 1 1 4   8  21 o 618.5050 46.77110 10.72344       1.440972  10.46686       1.996360  11.00252       2.082024  611.2770 65.53030 625.7330 66.75271 -14.45593      93.54221 
1 1 1 4   8  22 o 212.0076 63.84424 0.6452703      1.198965  0.2131557      1.595195  1.206334       1.817693  192.8285 84.72840 231.1868 95.52720 -38.35826      127.6885 
1 1 1 4   9  0  o 3566.647 89.16805 333.9876       16.10085  335.5765       22.76872  332.3984       22.77137  3575.455 125.7835 3557.839 126.4210 17.61597       178.3361 
1 1 1 4   9  1  o 1298.256 50.25045 43.18037       3.284356  46.20771       4.656626  40.18364       4.633025  1344.183 68.65628 1252.329 73.39447 91.85474       100.5009 
1 1 1 4   9  2  o 1519.925 52.52086 58.81197       4.041120  57.93700       5.714548  59.68722       5.715466  1508.553 74.82342 1531.297 73.72395 -22.74365      105.0417 
1 1 1 4   9  3  o 1016.970 48.33230 26.48638       2.458562  29.76471       3.478011  23.21212       3.475852  1080.897 63.84020 953.0436 72.58425 127.8537       96.66460 
1 1 1 4   9  4  o 509.2566 39.59097 6.350110       0.9489192 7.589583       1.694569  5.783893       1.145334  543.2963 62.76333 475.2169 48.27570 68.07932       79.18193 
1 1 1 4   9  5  o 1879.135 49.00890 90.45254       4.393744  92.05685       5.404551  87.32544       7.545451  1904.977 56.03847 1853.293 80.41878 51.68359       98.01781 
1 1 1 4   9  6  o 804.6214 38.45624 15.99249       1.458884  17.98491       2.624217  15.10128       1.755094  838.9798 62.22581 770.2630 45.20484 68.71680       76.91248 
1 1 1 4   9  7  o 1445.873 44.47823 52.30939       3.050314  50.64304       3.686811  55.92504       5.430754  1411.482 51.59314 1480.264 72.46653 -68.78186      88.95645 
1 1 1 4   9  8  o 2277.573 45.42524 132.2881       5.236118  136.3522       7.411809  128.2390       7.398188  2312.738 63.30151 2242.407 65.16692 70.33081       90.85048 
1 1 1 4   9  9  o 1171.837 34.15364 34.89075       2.025317  35.95596       2.856872  33.81450       2.871647  1189.896 47.42400 1153.779 49.16145 36.11621       68.30728 
1 1 1 4   9  10 o 719.2849 33.97395 13.19148       1.229458  12.62462       1.718734  13.78549       1.759413  703.3381 48.56569 735.2317 47.52147 -31.89355      67.94789 
1 1 1 4   9  11 o 1460.720 53.25484 54.79654       3.920468  51.75360       5.625584  57.66990       5.466591  1419.436 78.58941 1502.003 71.88894 -82.56750      106.5097 
1 1 1 4   9  12 o 1473.502 54.80132 56.02570       4.066665  58.07388       5.608847  53.75565       5.904829  1504.149 73.65448 1442.855 81.16500 61.29395       109.6026 
1 1 1 4   9  13 o 1233.502 36.05166 38.83244       2.251312  39.24105       3.196241  38.43011       3.171572  1239.955 50.91549 1227.049 51.05392 12.90637       72.10332 
1 1 1 4   9  14 o 1362.403 37.38454 47.53432       2.576600  49.75155       3.648804  45.32907       3.638942  1394.441 51.68526 1330.365 54.02822 64.07605       74.76907 
1 1 1 4   9  15 o 584.3464 39.96911 8.882791       1.165054  9.554837       1.655668  8.223629       1.639719  606.9924 54.45658 561.7005 58.52008 45.29193       79.93822 
1 1 1 4   9  16 o 874.0181 44.94038 20.04391       1.846039  20.01158       3.229670  20.05960       2.249782  867.9738 74.21009 880.0623 50.70909 -12.08850      89.88075 
1 1 1 4   9  17 o 513.6915 61.45747 7.580794       1.415317  8.058699       1.722960  6.589249       2.481763  550.3878 62.96642 476.9953 105.5619 73.39249       122.9149 
1 1 1 4   9  18 o 368.4789 55.97819 3.801333       1.011263  3.595190       1.377762  4.042102       1.488988  357.8269 78.23457 379.1309 80.08485 -21.30399      111.9564 
1 1 1 4   9  19 o 232.2701 58.73204 1.016206       0.9086493 2.441535       1.491669  0.1752843      1.145758  290.4353 91.12919 174.1049 74.11668 116.3304       117.4641 
1 1 1 4   9  20 o 544.8948 51.59604 8.444001       1.375871  9.527314       1.954158  7.379080       1.937499  584.2847 67.29144 505.5049 78.23343 78.77975       103.1921 
1 1 1 4   9  21 o 224.1385 60.24625 0.4114597      1.123445  2.866939       1.688787  -1.537835      1.504684  299.5218 97.29627 148.7551 71.07656 150.7667       120.4925 
1 1 1 4   9  22 f 240.1847 65.80261 1.554472       1.147301  2.246414       1.730218  1.011472       1.532731  265.9516 97.80042 214.4177 88.06255 51.53391       131.6052 
1 1 1 4   10 0  o 1201.124 49.27374 36.77354       2.981230  38.64351       4.247536  34.95794       4.185345  1231.468 68.39803 1170.780 70.94585 60.68848       98.54747 
1 1 1 4   10 1  o 801.4949 47.22865 16.42581       1.898901  16.53423       2.683536  16.31708       2.687371  804.1964 66.50844 798.7933 67.07315 5.403015       94.45729 
1 1 1 4   10 2  o 2330.015 64.45220 138.2271       7.598235  132.3758       10.72686  144.1192       10.76429  2280.261 92.91899 2379.769 89.34432 -99.50781      128.9044 
1 1 1 4   10 3  o 1226.501 49.76252 38.32575       3.076991  38.47855       4.350257  38.17278       4.352789  1228.975 70.20915 1224.027 70.54012 4.947754       99.52504 
1 1 1 4   10 4  o 1888.226 57.75991 90.69637       5.520003  93.15054       7.803802  88.23885       7.809129  1913.919 80.53767 1862.533 82.81615 51.38599       115.5198 
1 1 1 4   10 5  f 624.6619 37.40007 9.764003       1.137294  9.152217       1.426051  10.83307       1.885114  598.7628 47.43132 650.5610 57.83885 -51.79822      74.80015 
1 1 1 4   10 6  o 2943.131 75.45798 221.1285       11.24342  0.000000       0.000000  221.1285       11.24342  ?        ?        2943.131 75.45798 ?              ?        
1 1 1 4   10 7  f 1694.671 49.34610 74.39017       3.937664  76.29833       4.797298  70.44997       6.893631  1731.353 54.73027 1657.989 82.12640 73.36377       98.69219 
1 1 1 4   10 8  o 2015.456 42.02235 103.4028       4.287793  102.8298       6.056466  103.9786       6.071271  2009.840 59.52154 2021.071 59.33546 -11.23157      84.04470 
1 1 1 4   10 9  o 1650.374 38.74921 69.24702       3.237586  69.10580       4.563443  69.39013       4.593987  1648.696 54.67244 1652.051 54.92658 -3.355225      77.49842 
1 1 1 4   10 10 o 1070.103 34.49554 29.10815       1.868419  29.57298       2.629593  28.63419       2.655280  1078.787 48.14699 1061.418 49.41291 17.36951       68.99107 
1 1 1 4   10 11 o 1130.389 49.38121 32.85041       2.808993  32.13288       4.041201  33.52116       3.907218  1117.929 71.78184 1142.849 67.83351 -24.92065      98.76243 
1 1 1 4   10 12 o 550.2228 59.91774 7.912748       1.563197  7.681781       1.964603  8.311304       2.580743  541.8787 73.51008 558.5669 94.64044 -16.68817      119.8355 
1 1 1 4   10 13 f 1403.951 37.31479 50.38025       2.651900  49.22729       3.725602  51.56438       3.775605  1387.604 53.03314 1420.299 52.50771 -32.69531      74.62958 
1 1 1 4   10 14 o 752.8546 36.85767 14.59608       1.396024  14.50916       1.984694  14.68119       1.964022  750.5184 52.56526 755.1909 51.68021 -4.672424      73.71534 
1 1 1 4   10 15 o 312.3764 53.86673 2.674290       0.8524318 3.200132       1.195669  2.130753       1.215620  344.0593 70.99776 280.6935 81.02971 63.36575       107.7335 
1 1 1 4   10 16 o 387.3909 69.72617 4.168392       1.377389  5.352734       2.089984  3.259008       1.831378  434.8403 97.35964 339.9415 99.84013 94.89883       139.4523 
1 1 1 4   10 17 o 560.5327 68.38660 8.975496       1.860955  9.567386       2.558279  8.310330       2.712019  585.0966 89.18523 535.9689 103.6962 49.12769       136.7732 
1 1 1 4   10 18 o 599.0082 41.92070 9.581284       1.253798  9.590073       1.804834  9.573087       1.743056  598.7107 60.36775 599.3058 58.18173 -0.5950928     83.84139 
1 1 1 4   10 19 o 873.4098 39.51860 20.40637       1.733517  18.63025       2.430928  22.24411       2.472733  832.7947 58.01923 914.0249 53.67168 -81.23022      79.03721 
1 1 1 4   10 20 o 384.8732 59.49681 4.460330       1.126771  4.329613       1.614654  4.584411       1.573146  377.6197 86.33791 392.1267 81.88556 -14.50708      118.9936 
1 1 1 4   10 21 o 357.0093 66.73386 4.383062       1.296962  2.664052       2.104713  5.435418       1.646778  287.4471 107.4524 426.5716 79.16823 -139.1246      133.4677 
1 1 1 4   10 22 f 267.3068 79.69933 2.214388       1.847978  2.569841       2.621747  1.863406       2.605204  276.4105 114.5114 258.2031 110.8832 18.20743       159.3987 
1 1 1 4   11 0  o 217.3924 83.00282 0.8196583      1.271286  0.8196583      1.271286  0.000000       0.000000  217.3924 83.00282 ?        ?        ?              ?        
1 1 1 4   11 1  o 549.6540 71.52089 7.801997       1.943098  0.000000       0.000000  7.801997       1.943098  ?        ?        549.6540 71.52089 ?              ?        
1 1 1 4   11 2  o 869.1102 47.79471 19.29699       2.086330  19.56527       2.955026  19.03035       2.946026  875.2170 67.20324 863.0034 67.97839 12.21362       95.58942 
1 1 1 4   11 3  o 834.9651 48.14212 17.85096       2.010925  16.20182       2.827755  19.53826       2.860279  795.2773 70.97869 874.6530 65.05905 -79.37567      96.28424 
1 1 1 4   11 4  o 1161.089 69.61914 34.42728       4.073505  34.42728       4.073505  0.000000       0.000000  1161.089 69.61914 ?        ?        ?              ?        
1 1 1 4   11 5  o 1613.307 38.37605 66.18355       3.134107  64.92819       4.424171  67.44817       4.440467  1597.894 54.68904 1628.720 53.85158 -30.82629      76.75210 
1 1 1 4   11 6  f 1249.255 40.68404 40.00177       2.442343  39.16180       4.124274  40.45542       3.030953  1237.001 66.09502 1261.510 47.45750 -24.50916      81.36809 
1 1 1 4   11 7  f 2013.475 53.11051 104.8998       5.046000  107.2651       6.153992  100.0466       8.815097  2052.244 59.23036 1974.706 88.17410 77.53784       106.2210 
1 1 1 4   11 8  f 1694.602 37.86658 73.00894       3.248115  71.26610       4.583885  74.76653       4.603232  1674.217 54.08020 1714.987 53.01738 -40.77014      75.73315 
1 1 1 4   11 9  o 2099.780 42.75914 112.2547       4.545538  112.2802       6.421637  112.2292       6.435109  2100.033 60.39987 2099.528 60.54115 0.5051270      85.51827 
1 1 1 4   11 10 o 461.0366 37.34138 5.496316       0.8525490 5.734235       1.176088  5.232842       1.237638  472.1539 49.95976 449.9193 55.51160 22.23462       74.68277 
1 1 1 4   11 11 o 1133.256 41.63191 32.87346       2.264228  32.88286       2.800371  32.85572       3.847892  1136.119 48.68645 1130.393 67.54623 5.725586       83.26382 
1 1 1 4   11 12 f 262.3951 61.77403 1.472911       0.8231990 1.265341       0.9264889 2.251225       1.794055  224.2377 71.98982 300.5526 100.4071 -76.31490      123.5481 
1 1 1 4   11 13 o 1307.266 36.80934 43.73601       2.436129  43.94083       3.443185  43.53070       3.447233  1310.373 51.90174 1304.159 52.21033 6.213745       73.61868 
1 1 1 4   11 14 o 789.0298 35.92929 16.03230       1.426796  15.34240       1.987714  16.76561       2.049284  771.3605 51.19020 806.6991 50.43035 -35.33856      71.85859 
1 1 1 4   11 15 o 647.6866 39.12756 10.87342       1.266478  9.850413       1.720417  12.08362       1.871211  614.2026 55.94046 681.1707 54.72228 -66.96808      78.25511 
1 1 1 4   11 16 f 523.1852 64.50499 7.815278       1.615622  6.438629       2.410758  8.937675       2.176785  472.6761 103.6002 573.6943 76.88026 -101.0182      129.0100 
1 1 1 4   11 17 o 750.1570 56.71001 15.45770       2.117406  16.48818       3.042477  14.48979       2.948656  775.7637 78.54928 724.5502 81.81757 51.21350       113.4200 
1 1 1 4   11 18 o 898.8254 38.03971 21.38781       1.712043  24.44734       2.458183  18.50574       2.385827  963.7439 50.55766 833.9070 56.85069 129.8369       76.07941 
1 1 1 4   11 19 o 904.1134 39.60325 22.05666       1.796006  24.15684       2.535291  19.94101       2.544607  950.4502 52.89788 857.7766 58.95323 92.67358       79.20650 
1 1 1 4   11 20 o 212.0883 58.15140 0.6436189      0.9991692 -0.6964801     1.372390  2.155144       1.457527  158.0997 73.05680 266.0770 90.49334 -107.9772      116.3028 
1 1 1 4   11 21 o 337.9508 77.96465 4.026423       1.526931  3.812908       2.056984  4.288476       2.278830  330.7303 107.3776 345.1713 113.0664 -14.44101      155.9293 
1 1 1 4   12 0  o 2150.976 61.89751 117.9203       6.739952  116.0787       9.524400  119.7676       9.539080  2134.049 88.15553 2167.902 86.91267 -33.85303      123.7950 
1 1 1 4   12 1  o 772.0390 48.57702 15.26003       1.877765  14.61581       2.613294  15.94769       2.699948  755.0175 69.13476 789.0605 68.25902 -34.04309      97.15405 
1 1 1 4   12 2  o 2662.172 99.98157 181.3614       13.47534  181.3614       13.47534  0.000000       0.000000  2662.172 99.98157 ?        ?        ?              ?        
1 1 1 4   12 3  o 2028.163 57.43562 104.5915       5.897498  0.000000       0.000000  104.5915       5.897498  ?        ?        2028.163 57.43562 ?              ?        
1 1 1 4   12 4  o 1595.468 73.48877 65.02928       5.935983  0.000000       0.000000  65.02928       5.935983  ?        ?        1595.468 73.48877 ?              ?        
1 1 1 4   12 5  o 2985.149 74.78185 228.0535       11.30175  0.000000       0.000000  228.0535       11.30175  ?        ?        2985.149 74.78185 ?              ?        
1 1 1 4   12 6  f 2960.717 52.84487 224.2222       7.918569  230.6059       11.19696  217.8349       11.20014  3003.322 73.64014 2918.113 75.81194 85.20972       105.6897 
1 1 1 4   12 7  o 1287.740 34.85230 42.13808       2.272169  42.22923       3.210166  42.04657       3.216508  1289.146 49.18604 1286.334 49.39094 2.811523       69.70461 
1 1 1 4   12 8  o 1232.350 34.31133 38.59807       2.140021  39.55906       3.018584  37.62700       3.034371  1247.846 47.78136 1216.855 49.25455 30.99133       68.62266 
1 1 1 4   12 9  o 775.4999 34.40820 15.34855       1.343882  15.21427       1.881960  15.48826       1.919673  772.0612 48.39222 778.9385 48.92741 -6.877380      68.81641 
1 1 1 4   12 10 o 957.8497 40.46986 23.18095       1.864483  22.46884       2.299341  24.54813       3.185970  938.1306 48.57886 977.5688 64.74050 -39.43823      80.93972 
1 1 1 4   12 11 o 1061.256 42.36004 29.44982       2.152923  27.01377       3.579397  30.83068       2.694891  1022.979 69.52564 1099.534 48.41155 -76.55536      84.72009 
1 1 1 4   12 12 o 671.0948 34.87321 11.57031       1.175404  11.69953       1.632401  11.43117       1.693846  675.2481 48.06450 666.9415 50.54077 8.306580       69.74643 
1 1 1 4   12 13 o 604.5979 39.04249 9.485973       1.177987  10.16908       1.652688  8.780529       1.679487  627.5913 52.49737 581.6045 57.80390 45.98682       78.08498 
1 1 1 4   12 14 o 1037.412 36.23857 27.80102       1.895456  29.53096       2.662275  26.02267       2.699268  1071.621 49.07134 1003.203 53.33799 68.41797       72.47715 
1 1 1 4   12 15 o 1014.238 37.77557 26.74420       1.931643  26.30049       2.676208  27.22675       2.790913  1005.786 52.74080 1022.691 54.09606 -16.90442      75.55115 
1 1 1 4   12 16 o 227.0547 62.75426 0.9896906      1.005691  0.9351743      1.241649  1.093671       1.714791  213.7856 81.93311 240.3239 95.07553 -26.53830      125.5085 
1 1 1 4   12 17 o 403.6402 78.07717 4.967949       1.636896  5.044092       2.192060  4.871972       2.461061  409.7582 105.1451 397.5222 115.4500 12.23602       156.1543 
1 1 1 4   12 18 o 658.9822 42.40131 11.71200       1.398577  11.40251       1.946031  12.04263       2.011359  650.0336 59.80372 667.9307 60.12487 -17.89709      84.80263 
1 1 1 4   12 19 o 364.8906 60.66297 4.036953       1.102414  4.240300       1.542858  3.824840       1.575761  376.2785 83.20015 353.5028 88.30470 22.77573       121.3259 
1 1 1 4   12 20 o 610.7357 46.30956 10.60870       1.401232  11.52339       1.964147  9.660680       1.999611  641.8899 61.18129 579.5815 69.53524 62.30835       92.61912 
1 1 1 4   12 21 o 296.3634 74.62587 3.015768       1.484995  4.177861       2.072123  1.788725       2.129241  341.3448 107.4555 251.3820 103.5828 89.96271       149.2517 
1 1 1 4   13 0  o 1418.571 44.96591 51.69264       2.999773  50.29769       5.277437  52.35846       3.646066  1401.709 74.63605 1435.432 50.17163 -33.72278      89.93182 
1 1 1 4   13 1  o 365.6467 59.92899 3.564425       1.091975  3.027380       1.541814  4.104928       1.546770  337.6301 88.95541 393.6633 80.32976 -56.03320      119.8580 
1 1 1 4   13 2  o 1936.825 59.01941 96.20777       5.779372  102.1039       8.184631  90.34430       8.161950  1996.755 80.96375 1876.895 85.89549 119.8606       118.0388 
1 1 1 4   13 3  o 2396.372 94.17152 147.9105       11.42503  147.9105       11.42503  0.000000       0.000000  2396.372 94.17152 ?        ?        ?              ?        
1 1 1 4   13 4  o 1709.409 52.68026 74.68864       4.554191  79.65726       6.580108  70.12015       6.309602  1764.100 73.67600 1654.718 75.31723 109.3823       105.3605 
1 1 1 4   13 5  o 579.4094 59.79876 8.644005       1.728907  0.000000       0.000000  8.644005       1.728907  ?        ?        579.4094 59.79876 ?              ?        
1 1 1 4   13 6  o 689.1793 38.48230 11.98459       1.299120  12.91641       2.113009  11.41830       1.647233  709.8317 59.34232 668.5268 49.01060 41.30493       76.96460 
1 1 1 4   13 7  o 2030.389 60.47454 104.9791       6.216350  0.000000       0.000000  104.9791       6.216350  ?        ?        2030.389 60.47454 ?              ?        
1 1 1 4   13 8  o 838.2871 42.50950 17.10527       1.649128  15.84824       1.947950  20.28576       3.098500  787.9836 49.07239 888.5906 69.42716 -100.6070      85.01900 
1 1 1 4   13 9  o 520.5083 35.45348 6.955432       0.9171130 6.043684       1.270647  7.946927       1.325051  484.2088 52.68343 556.8078 47.45790 -72.59903      70.90696 
1 1 1 4   13 10 o 1341.031 43.95607 45.94317       2.823578  45.55832       3.475095  46.69086       4.843722  1336.172 51.37131 1345.891 71.34095 -9.719116      87.91213 
1 1 1 4   13 11 o 848.9985 41.33308 18.70246       1.704486  17.96915       2.765812  19.15150       2.164331  833.4459 66.09031 864.5511 49.65648 -31.10522      82.66617 
1 1 1 4   13 12 o 1034.068 45.21241 27.70904       2.185109  27.38173       3.879325  27.86115       2.644538  1024.768 75.30079 1043.368 50.06437 -18.60010      90.42483 
1 1 1 4   13 13 o 419.3029 46.61732 4.733132       0.9382651 3.669340       1.336069  5.768239       1.317932  368.7825 74.13170 469.8233 56.54370 -101.0408      93.23464 
1 1 1 4   13 14 o 1228.785 37.04214 39.07074       2.303208  40.01661       3.235008  38.09843       3.279913  1244.386 51.34955 1213.184 53.40134 31.20190       74.08427 
1 1 1 4   13 15 o 1086.464 37.93269 30.77496       2.081823  29.47581       2.913445  32.13034       2.975831  1061.987 54.37038 1110.941 52.90952 -48.95313      75.86538 
1 1 1 4   13 16 o 441.9267 64.52346 5.692550       1.319989  5.292373       2.306704  5.887396       1.609573  420.1337 107.8877 463.7196 70.80510 -43.58594      129.0469 
1 1 1 4   13 17 o 703.6351 41.93744 13.27414       1.478768  13.49949       2.063620  13.03629       2.120111  710.7464 57.85173 696.5239 60.73034 14.22247       83.87489 
1 1 1 4   13 18 o 523.1295 49.51707 7.714071       1.264629  8.335801       1.732755  7.005436       1.849896  550.5490 63.31972 495.7099 76.14705 54.83908       99.03413 
1 1 1 4   13 19 o 299.9504 64.25618 2.846761       1.086287  2.169286       1.570517  3.468163       1.504118  266.4647 93.78118 333.4360 87.86646 -66.97131      128.5124 
1 1 1 4   13 20 o 214.9541 61.91492 1.042272       1.059647  1.176899       1.539752  0.9211438      1.460520  220.9004 89.17535 209.0078 85.91615 11.89261       123.8298 
1 1 1 4   13 21 o 329.7468 65.05282 3.685655       1.130543  3.438589       1.639344  3.909722       1.561176  315.9170 94.87657 343.5767 89.02759 -27.65964      130.1056 
1 1 1 4   14 0  o 1173.697 43.56586 35.73368       2.389776  33.81448       4.209936  36.64610       2.902789  1147.097 72.87034 1200.296 47.76870 -53.19873      87.13171 
1 1 1 4   14 1  o 2592.208 70.16903 173.6942       9.206763  177.9285       13.03112  169.4738       13.00957  2624.375 98.07813 2560.042 100.3765 64.33301       140.3381 
1 1 1 4   14 2  o 1159.618 70.80006 34.52788       4.136629  34.52788       4.136629  0.000000       0.000000  1159.618 70.80006 ?        ?        ?              ?        
1 1 1 4   14 3  o 1401.139 74.53697 50.39098       5.268316  50.39098       5.268316  0.000000       0.000000  1401.139 74.53697 ?        ?        ?              ?        
1 1 1 4   14 4  o 669.7246 47.67912 11.45781       1.606064  0.000000       0.000000  11.45781       1.606064  ?        ?        669.7246 47.67912 ?              ?        
1 1 1 4   14 5  o 1596.064 46.60534 64.18412       3.545600  67.25468       6.222972  62.70823       4.314373  1622.113 75.77625 1570.015 54.27882 52.09863       93.21067 
1 1 1 4   14 6  o 839.2817 33.39329 17.94758       1.410090  16.42512       1.968242  19.55299       2.021148  802.4349 48.67915 876.1286 45.72514 -73.69373      66.78658 
1 1 1 4   14 7  o 2174.817 62.96978 121.6144       6.928466  119.2786       9.922832  123.8366       9.678401  2153.708 91.00500 2195.927 87.05667 -42.21948      125.9396 
1 1 1 4   14 8  o 1286.869 50.68933 42.17945       3.302437  42.17945       3.302437  0.000000       0.000000  1286.869 50.68933 ?        ?        ?              ?        
1 1 1 4   14 9  o 676.9002 52.86736 11.98526       1.711071  12.14446       2.156492  11.71470       2.811330  685.7994 62.80845 668.0010 85.05839 17.79834       105.7347 
1 1 1 4   14 10 o 299.9382 50.83434 2.386149       0.7673726 2.971797       1.126163  1.878533       1.048456  333.8643 68.91124 266.0121 74.75134 67.85220       101.6687 
1 1 1 4   14 11 o 687.3509 36.83770 12.14433       1.271103  11.72769       1.750588  12.60893       1.848639  674.9376 51.62290 699.7642 52.56560 -24.82654      73.67541 
1 1 1 4   14 12 o 949.5165 43.92165 22.88513       1.964817  24.81408       3.508517  22.00378       2.371583  974.4083 71.62316 924.6246 50.85833 49.78363       87.84331 
1 1 1 4   14 13 f 788.9167 46.44755 16.16273       1.694133  15.87329       2.030995  16.82472       3.071568  782.8021 51.53576 795.0314 77.28884 -12.22925      92.89510 
1 1 1 4   14 14 o 365.8715 68.43346 3.980399       1.143262  4.204301       1.276829  3.075048       2.567511  394.7167 66.24123 337.0263 119.7692 57.69046       136.8669 
1 1 1 4   14 15 f 293.1972 58.12760 2.552471       1.016851  3.692515       1.281795  0.6168981      1.670178  365.6178 71.81036 220.7766 91.42507 144.8411       116.2552 
1 1 1 4   14 16 o 515.4354 69.11961 7.551893       1.715210  6.303536       2.211041  9.438415       2.718054  462.5816 97.48621 568.2891 98.01286 -105.7075      138.2392 
1 1 1 4   14 17 o 330.2465 71.41057 3.259474       1.248348  3.511679       2.216887  3.142369       1.510617  335.4266 111.5989 325.0664 89.12669 10.36017       142.8211 
1 1 1 4   14 18 o 483.0355 69.42406 7.862101       1.472570  8.586570       1.733948  5.987669       2.789079  556.0328 62.69003 410.0382 123.8901 145.9947       138.8481 
1 1 1 4   14 19 f 351.6747 63.67170 3.957879       1.142628  4.365392       1.622577  3.556987       1.609343  372.2436 87.56362 331.1059 92.46056 41.13763       127.3434 
1 1 1 4   14 20 o 355.4837 70.24364 4.058304       1.347539  2.588782       1.723173  6.371730       2.162064  277.5665 98.17455 433.4009 100.4910 -155.8344      140.4873 
1 1 1 4   14 21 o 224.1023 67.29926 0.9669957      1.265990  2.717035       2.224914  0.1291079      1.539509  268.1976 107.5721 180.0070 80.90115 88.19060       134.5985 
1 1 1 4   15 0  o 800.6697 46.62138 17.23652       1.655734  14.76744       3.046577  18.27149       1.972458  754.7713 80.99456 846.5681 46.19627 -91.79681      93.24277 
1 1 1 4   15 1  o 2370.038 56.78979 141.8484       6.432724  150.3780       11.25452  137.7098       7.839481  2417.632 91.95029 2322.443 66.67432 95.18945       113.5796 
1 1 1 4   15 2  o 1566.752 76.58909 62.81342       6.075062  62.81342       6.075062  0.000000       0.000000  1566.752 76.58909 ?        ?        ?              ?        
1 1 1 4   15 3  o 1161.804 70.54720 34.59364       4.129864  0.000000       0.000000  34.59364       4.129864  ?        ?        1161.804 70.54720 ?              ?        
1 1 1 4   15 4  o 2543.217 98.41750 166.5352       12.67183  0.000000       0.000000  166.5352       12.67183  ?        ?        2543.217 98.41750 ?              ?        
1 1 1 4   15 5  o 1170.996 43.74049 35.44815       2.404770  33.82738       4.211532  36.23222       2.929244  1148.178 72.82847 1193.813 48.46584 -45.63440      87.48099 
1 1 1 4   15 6  o 1160.888 33.97416 34.29223       1.995789  35.06989       2.801997  33.49142       2.843401  1174.357 47.12852 1147.419 48.94770 26.93799       67.94833 
1 1 1 4   15 7  o 742.5070 42.23916 13.89869       1.466405  14.91596       2.636065  13.44282       1.764646  760.0021 69.27145 725.0118 48.35342 34.99030       84.47832 
1 1 1 4   15 8  o 1465.832 46.39749 54.76609       3.193366  54.05162       3.851761  56.33681       5.711107  1455.107 52.28543 1476.557 76.66252 -21.45020      92.79498 
1 1 1 4   15 9  o 1030.983 41.37460 27.43520       2.057133  27.77431       2.569200  26.82943       3.433830  1042.933 48.65839 1019.032 66.93124 23.90076       82.74920 
1 1 1 4   15 10 o 578.8965 46.82108 8.768106       1.340859  9.639226       1.896049  7.896596       1.896474  609.0524 62.37072 548.7407 69.84801 60.31177       93.64215 
1 1 1 4   15 11 o 761.1368 40.68114 14.89589       1.488444  14.65578       1.848318  15.33889       2.510563  754.8030 48.62690 767.4706 65.23225 -12.66760      81.36229 
1 1 1 4   15 12 o 187.8098 75.98122 0.4455364      1.120440  0.000000       0.000000  0.4455364      1.120440  ?        ?        187.8098 75.98122 ?              ?        
1 1 1 4   15 13 o 533.3088 65.80927 10.38195       1.467692  13.44130       1.755381  3.274631       2.675528  719.6774 48.46026 346.9402 122.3726 372.7373       131.6185 
1 1 1 4   15 14 o 522.5643 41.12119 7.257048       1.065333  7.331857       1.451997  7.169821       1.567883  526.6672 55.28057 518.4615 60.89228 8.205750       82.24239 
1 1 1 4   15 15 o 315.0558 60.18220 3.031279       1.018456  3.723202       1.267881  1.772759       1.709936  366.0354 70.97997 264.0762 97.20819 101.9592       120.3644 
1 1 1 4   15 16 o 650.0635 48.75983 11.42069       1.549740  12.57963       2.485507  10.68357       1.982233  672.8779 74.19532 627.2492 63.28617 45.62866       97.51966 
1 1 1 4   15 17 o 544.2898 62.09652 8.656314       1.540751  9.037286       2.718335  8.475991       1.870171  538.2060 103.5223 550.3736 68.60792 -12.16760      124.1930 
1 1 1 4   15 18 f 469.7789 76.05821 7.195275       1.551760  6.976315       1.766677  7.934560       3.246236  488.3924 73.74757 451.1654 133.0440 37.22696       152.1164 
1 1 1 4   15 19 o 437.1668 71.47729 6.256408       1.452594  7.125960       2.657424  5.885886       1.734684  437.6003 117.4807 436.7333 81.45122 0.8670044      142.9546 
1 1 1 4   15 20 o 274.4077 73.02521 2.612626       1.425361  3.583822       2.024585  1.658170       2.007060  309.0938 106.6108 239.7216 99.82413 69.37210       146.0504 
1 1 1 4   16 0  o 762.5493 38.10125 14.72376       1.413151  14.31003       1.773773  15.44267       2.338161  748.8842 47.02293 776.2145 59.96385 -27.33038      76.20249 
1 1 1 4   16 1  o 1696.058 57.16768 74.07023       4.879726  68.56673       7.024906  79.20180       6.783379  1632.700 85.28255 1759.416 76.15419 -126.7158      114.3354 
1 1 1 4   16 2  o 1319.626 51.82832 44.65659       3.448922  44.92533       4.879430  44.38828       4.875596  1323.652 73.09676 1315.601 73.49531 8.050781       103.6566 
1 1 1 4   16 3  f 251.6005 96.44765 1.117994       1.720779  0.000000       0.000000  1.117994       1.720779  ?        ?        251.6005 96.44765 ?              ?        
1 1 1 4   16 4  o 2123.557 62.45336 115.9600       6.713244  113.0632       9.440465  118.9235       9.548377  2096.495 88.94386 2150.619 87.69653 -54.12451      124.9067 
1 1 1 4   16 5  o 2487.970 68.63567 160.1332       8.640363  153.2484       12.16245  167.1482       12.27699  2433.049 98.73853 2542.891 95.36311 -109.8416      137.2713 
1 1 1 4   16 6  o 1158.575 33.87277 34.21486       1.985508  34.98754       2.779288  33.40948       2.837481  1172.104 46.83644 1145.047 48.94697 27.05615       67.74554 
1 1 1 4   16 7  o 866.2639 43.74708 19.75802       1.749675  18.19861       3.097837  20.48852       2.120242  837.3217 73.83317 895.2061 46.94563 -57.88440      87.49416 
1 1 1 4   16 8  o 912.9880 48.03711 22.08392       1.962370  22.74730       2.325817  20.44480       3.655939  942.3892 48.91676 883.5869 82.68861 58.80231       96.07422 
1 1 1 4   16 9  o 1655.674 47.46655 71.26097       3.764777  72.38142       4.652292  69.13510       6.408226  1680.035 54.69720 1631.314 77.59195 48.72095       94.93311 
1 1 1 4   16 10 o 1348.764 43.29768 46.97257       2.825154  47.08654       4.726897  46.90924       3.523788  1345.454 69.63274 1352.074 51.47850 -6.619751      86.59535 
1 1 1 4   16 11 o 624.0703 36.81962 10.18406       1.141247  11.04437       1.560202  9.194023       1.673702  654.0977 47.43701 594.0428 56.32466 60.05481       73.63924 
1 1 1 4   16 12 o 338.7519 59.18528 3.342317       0.9781682 2.571185       1.738739  3.699378       1.183153  306.8768 98.63125 370.6270 65.44818 -63.75018      118.3706 
1 1 1 4   16 13 f 692.6190 50.73866 12.54363       1.766787  12.54363       1.766787  0.000000       0.000000  692.6190 50.73866 ?        ?        ?              ?        
1 1 1 4   16 14 o 423.7336 56.38377 4.820817       1.146178  6.560113       1.844761  3.727231       1.462782  485.5320 77.66557 361.9352 81.75927 123.5968       112.7675 
1 1 1 4   16 15 o 532.9874 53.79405 8.088306       1.372086  7.017074       2.080951  8.912220       1.824992  493.5718 86.42672 572.4030 64.07513 -78.83124      107.5881 
1 1 1 4   16 16 o 467.6743 50.24899 6.049413       1.142457  5.322687       1.502595  7.045156       1.758856  434.6519 70.71474 500.6967 71.40917 -66.04477      100.4980 
1 1 1 4   16 17 o 203.4579 60.94822 0.5818161      1.089302  0.1265798      1.720548  0.8863617      1.407260  197.8506 87.41991 209.0653 84.95000 -11.21466      121.8964 
1 1 1 4   16 18 o 279.9795 74.93320 1.769085       1.299077  0.7875744      1.481292  5.038568       2.703540  203.6830 85.36309 356.2760 123.1790 -152.5929      149.8664 
1 1 1 4   16 19 o 230.3262 69.84522 0.9499978      1.215254  0.5138961      1.368529  2.576269       2.642754  187.7461 80.48867 272.9063 114.1709 -85.16020      139.6904 
1 1 1 4   16 20 o 238.7502 68.74313 1.862760       1.293373  1.753391       1.690161  2.017304       2.009125  233.3859 93.70535 244.1145 100.6071 -10.72856      137.4863 
1 1 1 4   17 0  o 2511.327 70.19532 161.3214       8.924730  161.3214       8.924730  0.000000       0.000000  2511.327 70.19532 ?        ?        ?              ?        
1 1 1 4   17 1  o 1597.018 54.38063 65.54860       4.381508  63.82827       6.331181  67.12984       6.069855  1575.175 79.64983 1618.861 74.06023 -43.68591      108.7613 
1 1 1 4   17 2  o 2394.446 69.55935 146.7272       8.432265  0.000000       0.000000  146.7272       8.432265  ?        ?        2394.446 69.55935 ?              ?        
1 1 1 4   17 3  o 868.9998 51.48307 19.44569       2.241184  18.39276       3.079920  20.63071       3.267407  843.8983 72.80095 894.1013 72.81516 -50.20300      102.9661 
1 1 1 4   17 4  o 1038.906 52.23336 27.85614       2.728082  26.71855       3.818165  29.04259       3.899296  1016.920 74.68497 1060.893 73.04417 -43.97339      104.4667 
1 1 1 4   17 5  o 366.8243 75.19736 3.511392       1.404154  3.365078       1.695451  3.830893       2.505411  353.4312 93.36080 380.2174 117.9082 -26.78613      150.3947 
1 1 1 4   17 6  o 1297.813 44.07100 43.99120       2.367788  44.52705       2.682859  42.10332       5.035737  1322.418 40.07241 1273.208 78.50613 49.21057       88.14200 
1 1 1 4   17 7  o 456.7129 38.12035 5.335807       0.8564257 4.537878       1.139868  6.370127       1.297776  417.2663 55.32219 496.1594 52.46045 -78.89310      76.24069 
1 1 1 4   17 8  o 451.3168 50.73968 5.280425       1.139248  5.280425       1.139248  0.000000       0.000000  451.3168 50.73968 ?        ?        ?              ?        
1 1 1 4   17 9  o 1165.106 37.17282 34.90408       2.190369  36.40587       3.080280  33.36792       3.115316  1190.955 51.08710 1139.257 54.01280 51.69739       74.34563 
1 1 1 4   17 10 o 876.9802 36.49175 19.87878       1.612242  20.59063       2.283362  19.17104       2.276762  892.9969 50.71497 860.9634 52.48414 32.03357       72.98351 
1 1 1 4   17 11 f 531.9699 38.54583 7.390502       1.017214  7.200903       1.358944  7.632103       1.534031  525.0275 51.80051 538.9123 57.09494 -13.88477      77.09167 
1 1 1 4   17 12 o 399.8481 44.74583 4.244356       0.8667547 3.470880       1.156405  5.235951       1.309345  356.9018 66.44476 442.7945 59.94874 -85.89276      89.49166 
1 1 1 4   17 13 o 613.8439 57.71426 10.32980       1.453848  10.20758       1.656781  10.73904       3.031684  621.6465 53.15371 606.0413 102.4618 15.60522       115.4285 
1 1 1 4   17 14 o 436.9406 67.18089 6.241279       1.467324  3.315647       2.341297  8.133648       1.882997  330.7607 114.6146 543.1205 70.11830 -212.3598      134.3618 
1 1 1 4   17 15 o 679.4532 76.69739 13.03843       2.592124  0.000000       0.000000  13.03843       2.592124  ?        ?        679.4532 76.69739 ?              ?        
1 1 1 4   17 16 o 654.3406 57.38006 11.70222       1.881657  11.70222       1.881657  0.000000       0.000000  654.3406 57.38006 ?        ?        ?              ?        
1 1 1 4   17 17 o 198.4931 82.45444 0.7398368      1.364600  0.000000       0.000000  0.7398368      1.364600  ?        ?        198.4931 82.45444 ?              ?        
1 1 1 4   17 18 o 194.2605 65.90954 -1.304358      1.523218  -1.874304      1.751405  0.4653687      3.086190  152.9942 74.00027 235.5267 109.0882 -82.53252      131.8191 
1 1 1 4   17 19 o 257.0493 67.78527 2.269027       1.177008  2.021427       1.577128  2.580294       1.768311  246.0031 92.80244 268.0955 98.82854 -22.09239      135.5705 
1 1 1 4   18 0  f 653.4927 38.77464 10.92853       1.242372  10.73958       1.591860  11.22297       1.987113  647.2762 48.93863 659.7092 60.15730 -12.43292      77.54928 
1 1 1 4   18 1  o 2074.026 87.78236 111.4094       9.217332  0.000000       0.000000  111.4094       9.217332  ?        ?        2074.026 87.78236 ?              ?        
1 1 1 4   18 2  o 1296.525 69.02911 43.31031       4.514709  0.000000       0.000000  43.31031       4.514709  ?        ?        1296.525 69.02911 ?              ?        
1 1 1 4   18 3  o 1806.461 58.41968 84.52447       5.342557  83.51611       7.512435  85.55629       7.599348  1795.550 82.64177 1817.373 82.59403 -21.82288      116.8394 
1 1 1 4   18 4  o 1063.614 53.78136 29.41662       2.874605  28.54002       4.100322  30.26390       4.031171  1047.283 77.89125 1079.945 74.18013 -32.66187      107.5627 
1 1 1 4   18 5  o 442.2385 72.34478 5.627290       1.603413  6.965719       2.092000  3.721473       2.496346  511.1330 83.74437 373.3439 117.9913 137.7891       144.6896 
1 1 1 4   18 6  f 811.6932 41.70511 16.08225       1.511076  15.06440       1.746370  19.11451       3.014246  766.5901 45.19755 856.7963 70.10310 -90.20624      83.41022 
1 1 1 4   18 7  o 476.2151 34.12354 5.733839       0.7578740 5.507576       0.9136571 6.232919       1.356947  463.0251 39.34864 489.4051 55.76151 -26.37997      68.24707 
1 1 1 4   18 8  o 491.1947 46.21315 6.592808       1.038273  7.111480       1.289729  5.637660       1.750198  524.2028 49.17234 458.1867 78.26048 66.01608       92.42631 
1 1 1 4   18 9  f 335.4206 49.47728 3.047068       0.8130227 3.191027       1.146897  2.901649       1.152700  343.9739 68.26806 326.8673 71.63433 17.10666       98.95456 
1 1 1 4   18 10 o 760.2853 35.97543 15.00207       1.374831  13.96671       1.908207  16.11965       1.982531  732.5807 51.78374 787.9900 49.95370 -55.40930      71.95087 
1 1 1 4   18 11 o 720.3813 36.71045 13.58885       1.325847  13.62852       1.809104  13.54283       1.948733  722.4831 49.76325 718.2795 53.98377 4.203613       73.42090 
1 1 1 4   18 12 f 966.2794 48.73223 26.32963       2.169173  21.72552       3.685547  28.76981       2.683119  883.9857 83.33527 1048.573 50.54261 -164.5874      97.46447 
1 1 1 4   18 13 o 246.9269 67.88486 1.128598       0.8489631 0.9944062      0.9011487 2.187573       2.531494  200.0609 70.97062 293.7929 115.7436 -93.73201      135.7697 
1 1 1 4   18 14 o 172.3189 72.52413 0.2768562      1.076574  0.2768562      1.076574  0.000000       0.000000  172.3189 72.52413 ?        ?        ?              ?        
1 1 1 4   18 15 o 475.0585 56.81896 6.441623       1.293773  7.543702       2.084588  5.751148       1.650015  504.3912 84.63135 445.7259 75.83607 58.66528       113.6379 
1 1 1 4   18 16 o 480.6492 50.18257 6.717118       1.179833  6.527286       1.593029  6.947755       1.755910  475.4406 68.13014 485.8578 73.69834 -10.41724      100.3651 
1 1 1 4   18 17 o 326.9952 76.49291 3.917708       1.433106  4.379294       2.419307  3.668185       1.778772  331.7272 116.4199 322.2633 99.25257 9.463928       152.9858 
1 1 1 4   18 18 o 242.0430 88.74133 1.916016       1.423005  1.916016       1.423005  0.000000       0.000000  242.0430 88.74133 ?        ?        ?              ?        
1 1 1 4   18 19 o 289.7189 69.47498 3.325509       1.237689  3.586571       1.522472  2.816743       2.125381  315.5743 90.56094 263.8635 105.3841 51.71075       138.9500 
1 1 1 4   19 0  o 1002.290 80.00280 26.23458       4.025765  0.000000       0.000000  26.23458       4.025765  ?        ?        1002.290 80.00280 ?              ?        
1 1 1 4   19 1  o 996.9543 54.61967 26.28767       2.630626  27.44839       3.348388  24.41599       4.251965  1030.654 64.49563 963.2543 88.16773 67.39996       109.2393 
1 1 1 4   19 2  o 949.7485 41.86489 22.53331       1.864219  25.25245       3.389609  21.35416       2.232124  986.8337 68.26513 912.6632 48.48246 74.17053       83.72979 
1 1 1 4   19 3  o 490.8260 64.76541 6.428274       1.535913  5.941647       2.013713  7.105136       2.374922  469.4655 87.95685 512.1866 95.08852 -42.72113      129.5308 
1 1 1 4   19 4  o 680.7546 41.21590 10.85573       1.272093  14.79019       2.523338  9.515068       1.472965  753.6281 66.82875 607.8812 48.25887 145.7468       82.43179 
1 1 1 4   19 5  o 858.6921 57.51970 19.79980       2.414655  22.65416       3.289470  16.46466       3.555728  931.9188 70.23740 785.4656 91.10857 146.4532       115.0394 
1 1 1 4   19 6  o 654.6285 45.31654 10.32334       1.080229  9.942369       1.170002  12.52398       2.812009  623.2076 37.25320 686.0494 82.62297 -62.84174      90.63309 
1 1 1 4   19 7  o 747.1320 45.97952 14.09555       1.502545  13.57393       1.731540  15.68567       3.023229  725.6370 47.39379 768.6270 78.80543 -42.98993      91.95905 
1 1 1 4   19 8  o 1037.243 42.17724 27.91532       2.091967  27.69296       2.576310  28.34571       3.584247  1036.568 49.09269 1037.919 68.59728 -1.351440      84.35448 
1 1 1 4   19 9  o 1015.409 77.76466 27.69764       3.967285  0.000000       0.000000  27.69764       3.967285  ?        ?        1015.409 77.76466 ?              ?        
1 1 1 4   19 10 o 350.3828 67.24908 3.217957       1.094220  4.317537       2.219300  2.864803       1.257721  381.3151 109.3132 319.4506 78.36060 61.86456       134.4982 
1 1 1 4   19 11 o 608.9316 54.29908 9.408920       1.340645  8.804682       1.498514  11.83190       3.000758  577.2140 51.83154 640.6494 95.43089 -63.43536      108.5982 
1 1 1 4   19 12 o 849.8882 38.52060 19.35301       1.634634  21.12918       2.254586  17.38465       2.373433  894.6888 49.97474 805.0876 58.63337 89.60120       77.04120 
1 1 1 4   19 13 o 473.3606 62.70867 6.641170       1.329002  6.528584       2.422668  6.689635       1.589516  455.0710 106.9617 491.6501 65.48820 -36.57907      125.4173 
1 1 1 4   19 14 o 659.3036 40.79966 11.82022       1.343136  11.39201       1.811415  12.34316       2.001783  647.5383 55.79949 671.0690 59.53878 -23.53070      81.59933 
1 1 1 4   19 15 o 210.0591 58.38067 1.061783       0.9094312 1.221306       1.194664  0.8419493      1.402436  214.8696 80.83033 205.2486 84.25954 9.621048       116.7613 
1 1 1 4   19 16 o 236.5637 64.20074 1.710831       1.178045  2.410577       1.347375  -0.5600666     2.427265  271.0929 86.79226 202.0345 94.62582 69.05844       128.4015 
1 1 1 4   19 17 o 229.8583 57.81343 1.281204       0.9567685 -0.5854466E-01 1.269790  3.040865       1.455240  162.7682 73.28312 296.9485 89.43800 -134.1803      115.6269 
1 1 1 4   19 18 o 387.7535 62.35357 5.333876       1.196203  5.996098       1.559169  4.386400       1.864986  437.3321 72.99314 338.1749 101.1132 99.15714       124.7071 
1 1 1 4   20 0  o 495.3071 57.52436 6.395617       1.415618  0.000000       0.000000  6.395617       1.415618  ?        ?        495.3071 57.52436 ?              ?        
1 1 1 4   20 1  o 1065.117 35.03955 29.03519       1.887626  27.99601       2.600220  30.19302       2.744645  1045.113 49.14320 1085.121 49.96024 -40.00818      70.07909 
1 1 1 4   20 2  o 694.1361 49.03473 12.41225       1.712100  0.000000       0.000000  12.41225       1.712100  ?        ?        694.1361 49.03473 ?              ?        
1 1 1 4   20 3  o 345.6124 100.3666 3.271087       1.860063  0.000000       0.000000  3.271087       1.860063  ?        ?        345.6124 100.3666 ?              ?        
1 1 1 4   20 4  o 415.2003 55.86776 4.108016       0.9489446 5.709394       2.136340  3.714389       1.059171  455.0923 95.75563 375.3084 57.58198 79.78384       111.7355 
1 1 1 4   20 5  o 1137.047 56.71332 34.67187       3.192643  39.51547       4.402426  29.29871       4.636847  1227.571 71.14227 1046.522 88.34241 181.0498       113.4266 
1 1 1 4   20 6  o 637.2191 61.34333 10.58853       1.886584  8.400367       2.423098  13.95678       3.006311  554.3463 89.37834 720.0919 84.04479 -165.7455      122.6867 
1 1 1 4   20 7  o 439.9683 103.5691 5.534984       2.268648  5.534984       2.268648  0.000000       0.000000  439.9683 103.5691 ?        ?        ?              ?        
1 1 1 4   20 8  o 598.8182 59.20697 10.14616       1.641355  10.90729       2.068514  8.852229       2.697037  639.9012 64.74091 557.7352 99.14877 82.16602       118.4139 
1 1 1 4   20 9  o 439.3709 65.23696 6.261780       1.014742  6.581235       1.095157  4.323037       2.697935  502.3240 43.49262 376.4178 123.0115 125.9062       130.4739 
1 1 1 4   20 10 o 272.9696 54.50407 2.158710       0.7766564 2.358670       0.9571260 1.773229       1.328920  290.8569 66.45312 255.0824 86.41041 35.77452       109.0081 
1 1 1 4   20 11 o 571.5596 39.38805 8.610297       1.114650  7.439429       1.467827  10.20528       1.713164  525.9749 55.98263 617.1443 55.42217 -91.16937      78.77609 
1 1 1 4   20 12 o 315.0507 52.85885 2.989097       0.8293830 3.440387       1.063928  2.290029       1.324170  351.7350 62.01271 278.3663 85.61926 73.36865       105.7177 
1 1 1 4   20 13 o 206.8957 91.55486 0.1246003      1.894151  0.1246003      1.894151  0.000000       0.000000  206.8957 91.55486 ?        ?        ?              ?        
1 1 1 4   20 14 o 509.8714 78.15681 9.710971       1.921646  11.34112       2.367439  6.562685       3.290053  619.6982 77.12860 400.0446 135.9600 219.6536       156.3136 
1 1 1 4   20 15 o 189.1841 56.65050 0.5547829      0.9384377 0.2125635      1.261763  0.9784394      1.403888  172.8921 75.67613 205.4760 84.32224 -32.58382      113.3010 
1 1 1 4   20 16 o 201.3490 55.10406 0.5739178      0.9118083 -0.7939625     1.210380  2.368742       1.386465  140.0946 65.99353 262.6034 88.26486 -122.5088      110.2081 
1 1 1 4   20 17 o 311.0198 62.91322 3.340288       1.031453  2.845944       1.343032  4.051157       1.610522  285.7562 85.88780 336.2833 91.95423 -50.52707      125.8264 
1 1 1 4   20 18 o 200.6093 63.39098 -0.1952163     1.204222  3.355621       2.309585  -1.520965      1.411234  267.1654 108.7237 134.0532 65.21365 133.1122       126.7820 
1 1 1 4   21 0  o 670.0842 57.44143 11.00960       1.692362  9.967050       1.946249  14.24187       3.426918  616.5474 63.24723 723.6209 95.90546 -107.0735      114.8829 
1 1 1 4   21 1  o 421.4638 38.98597 4.599903       0.7996371 3.679415       1.071834  5.755317       1.200846  372.8153 58.73059 470.1123 51.28685 -97.29697      77.97194 
1 1 1 4   21 2  o 1079.742 49.45097 30.16295       2.664341  34.03531       4.120154  27.37983       3.492944  1137.531 71.91307 1021.953 67.89776 115.5776       98.90195 
1 1 1 4   21 3  o 641.1710 43.92508 10.60927       1.263920  11.19924       2.399504  10.38273       1.486921  648.5248 74.43040 633.8173 46.66655 14.70758       87.85017 
1 1 1 4   21 4  o 251.7840 66.86655 0.8189944      1.259789  2.686382       1.916283  -0.6023827     1.671849  315.4499 103.7000 188.1180 84.44435 127.3319       133.7331 
1 1 1 4   21 5  o 672.2712 63.16452 12.60751       2.047517  14.31994       2.786807  10.59880       3.018277  730.1530 76.52660 614.3896 100.5122 115.7634       126.3290 
1 1 1 4   21 6  o 299.9575 59.78688 2.595910       0.7035003 2.695256       0.7399058 1.660245       2.270717  319.5309 47.15546 280.3841 109.8829 39.14685       119.5738 
1 1 1 4   21 7  o 248.6866 52.09562 1.671614       0.6348927 1.671614       0.6348927 0.000000       0.000000  248.6866 52.09562 ?        ?        ?              ?        
1 1 1 4   21 8  o 276.3634 67.99211 1.930139       0.9840714 1.858896       1.088598  2.248584       2.301527  257.9298 77.28056 294.7970 111.8902 -36.86722      135.9842 
1 1 1 4   21 9  o 336.7166 66.54779 3.444371       1.022043  3.568399       1.122010  2.839918       2.476953  359.6179 63.97155 313.8153 116.7136 45.80264       133.0956 
1 1 1 4   21 10 o 860.2416 38.53395 19.69324       1.659276  16.96776       2.267594  22.83448       2.434417  794.3431 56.76013 926.1400 52.13205 -131.7969      77.06791 
1 1 1 4   21 11 o 230.9353 54.22237 1.425049       0.6822341 1.342019       0.7979760 1.650621       1.315274  218.5620 66.31932 243.3086 85.80215 -24.74660      108.4447 
1 1 1 4   21 12 o 280.3576 57.72196 2.334358       0.8375410 2.276020       1.024380  2.451991       1.454630  278.4300 72.10039 282.2852 90.16003 -3.855133      115.4439 
1 1 1 4   21 13 o 729.5983 84.12669 16.16249       3.050493  16.16249       3.050493  0.000000       0.000000  729.5983 84.12669 ?        ?        ?              ?        
1 1 1 4   21 14 f 181.1039 59.89751 -0.3107572     1.175435  0.5384864E-01  1.299362  -1.953284      2.757876  169.5814 75.39722 192.6264 93.09193 -23.04498      119.7950 
1 1 1 4   21 15 o 244.0907 70.02160 1.678429       1.322725  3.445243       2.225292  0.7131231      1.644842  289.5879 109.9955 198.5934 86.67812 90.99446       140.0432 
1 1 1 4   21 16 o 175.8133 54.54230 0.3769206      0.9485373 0.8034796      1.194952  -0.3496885     1.559593  185.5228 77.12045 166.1037 77.14845 19.41905       109.0846 
1 1 1 4   21 17 f 234.5717 61.93868 1.790861       1.077398  0.5234732      1.467938  3.270825       1.586274  180.8949 80.29669 288.2485 94.32944 -107.3536      123.8774 
1 1 1 4   22 0  o 631.6595 61.16260 10.32479       1.469993  9.988002       1.621838  11.87493       3.479481  618.6783 52.26882 644.6407 110.5958 -25.96234      122.3252 
1 1 1 4   22 1  o 956.8909 49.70405 25.08216       2.171972  22.28500       3.848131  26.38985       2.631142  906.0824 84.87680 1007.699 51.74843 -101.6169      99.40810 
1 1 1 4   22 2  o 272.3560 65.92581 1.859716       0.9051274 1.616067       2.306653  1.904060       0.9840531 281.2267 110.5824 263.4853 71.80791 17.74142       131.8516 
1 1 1 4   22 3  o 321.0961 73.39534 2.810214       1.366992  2.166793       1.826136  3.630307       2.061659  287.7873 101.1377 354.4049 106.3893 -66.61761      146.7907 
1 1 1 4   22 4  o 409.5677 70.14391 4.731166       1.543065  7.685246       2.294676  2.292669       2.084833  522.4921 89.99557 296.6434 107.6172 225.8488       140.2878 
1 1 1 4   22 5  o 446.6984 51.84303 4.650025       0.9978460 7.487629       2.109704  3.832292       1.132534  517.2325 83.40267 376.1643 61.60188 141.0682       103.6861 
1 1 1 4   22 6  o 317.0028 65.20579 2.778313       1.011558  2.778313       1.011558  0.000000       0.000000  317.0028 65.20579 ?        ?        ?              ?        
1 1 1 4   22 7  o 237.2516 49.51408 1.856550       0.6752622 2.296238       0.7223271 -1.191429      1.901814  291.6243 50.76893 182.8790 85.02407 108.7454       99.02816 
1 1 1 4   22 8  o 351.3535 61.35183 4.176774       1.033874  4.747662       1.174286  2.208667       2.180334  418.1595 56.95003 284.5475 108.6871 133.6120       122.7037 
1 1 1 4   22 9  o 638.0980 53.98524 10.22056       1.420426  9.203500       1.586770  14.32271       3.186743  584.1615 54.27386 692.0345 93.33796 -107.8730      107.9705 
1 1 1 4   22 10 o 222.3903 62.75626 1.174090       0.9393393 1.441354       1.011793  -0.4940732     2.527788  226.1610 75.40057 218.6196 100.3402 7.541473       125.5125 
1 1 1 4   22 11 o 303.4366 52.32326 2.359205       0.7109226 1.943618       0.8146648 3.686337       1.455811  260.0626 62.62387 346.8107 83.83999 -86.74808      104.6465 
1 1 1 4   22 12 o 386.5772 70.15516 5.411858       1.220421  5.653982       1.337412  4.206732       2.983746  446.7448 60.70395 326.4095 126.4991 120.3353       140.3103 
1 1 1 4   22 13 o 272.5727 66.59572 2.680633       1.223808  1.054326       2.238369  3.374062       1.461609  227.2219 100.0888 317.9236 87.87598 -90.70164      133.1914 
1 1 1 4   22 14 o 207.5626 66.28426 0.6514110      1.086174  0.4763036      1.170353  1.738998       2.916732  173.4088 74.39008 241.7164 109.7293 -68.30756      132.5685 
1 1 1 4   22 15 o 194.3917 58.46426 0.8776097      0.9657698 0.6926348      1.195460  1.225158       1.638651  179.9678 76.11949 208.8155 88.75868 -28.84769      116.9285 
1 1 1 4   22 16 o 311.9598 67.77014 3.790479       1.148255  3.530262       1.445478  4.235527       1.890366  308.5511 88.14565 315.3686 102.9637 -6.817505      135.5403 
1 1 1 4   22 17 o 260.4299 68.17201 3.110294       1.206127  3.261339       1.554198  2.881594       1.912430  275.3720 93.44717 245.4878 99.28403 29.88422       136.3440 
1 1 1 4   23 0  o 597.1589 70.63592 10.70600       1.524921  10.95353       1.683009  9.570993       3.603896  644.9962 51.98141 549.3218 131.3608 95.67438       141.2718 
1 1 1 4   23 1  o 680.6232 65.22938 14.61006       1.679675  15.92909       1.924215  10.38745       3.442846  779.8835 48.98372 581.3629 120.9135 198.5206       130.4588 
1 1 1 4   23 2  o 365.8521 47.47650 3.695823       0.8454658 3.966213       1.182752  3.413290       1.209019  381.3585 63.49237 350.3456 70.60305 31.01291       94.95300 
1 1 1 4   23 3  o 207.9984 53.09865 1.078395       0.7464269 -0.5846800     1.624697  1.523338       0.8403661 181.4159 82.17282 234.5810 67.27180 -53.16504      106.1973 
1 1 1 4   23 4  o 757.9383 49.49681 16.01982       1.627745  15.01572       3.121405  16.39486       1.907668  726.1987 86.60925 789.6779 47.94345 -63.47925      98.99361 
1 1 1 4   23 5  o 652.7977 34.14184 11.24089       1.119158  11.67150       1.629803  10.85667       1.539511  664.3723 48.79657 641.2232 47.76564 23.14905       68.28368 
1 1 1 4   23 6  o 138.4128 41.09145 0.1378330      0.4837833 0.8503791E-01  0.6463313 0.2050984      0.7295483 131.8799 55.88556 144.9457 60.25640 -13.06583      82.18290 
1 1 1 4   23 7  o 408.4880 59.54269 5.004158       0.9517943 5.062582       1.055564  4.750070       2.201305  434.6245 48.81613 382.3514 108.6200 52.27304       119.0854 
1 1 1 4   23 8  o 216.3212 68.72771 1.316072       0.8461110 1.316072       0.8461110 0.000000       0.000000  216.3212 68.72771 ?        ?        ?              ?        
1 1 1 4   23 9  o 310.5257 81.05094 3.233951       1.648566  3.238591       2.040253  3.225224       2.798190  311.8916 107.0541 309.1598 121.7228 2.731781       162.1019 
1 1 1 4   23 10 o 269.7293 69.66319 1.382078       0.7242118 1.164091       0.7507458 4.303401       2.748321  202.6233 64.77736 336.8352 123.3521 -134.2119      139.3264 
1 1 1 4   23 11 o 260.5418 59.09462 1.735402       0.7047073 1.483112       0.7701329 3.033849       1.747141  224.2505 64.42564 296.8332 99.08599 -72.58275      118.1892 
1 1 1 4   23 12 o 301.1683 61.17686 3.175564       0.8969597 3.292202       0.9852064 2.610590       2.168313  335.3861 60.23672 266.9506 106.4987 68.43552       122.3537 
1 1 1 4   23 13 o 297.0060 71.66419 3.524956       1.297041  3.363767       1.959438  3.650668       1.730422  286.4007 104.2650 307.6112 98.34552 -21.21054      143.3284 
1 1 1 4   23 14 o 322.9612 63.99057 4.657122       1.281752  5.493621       1.466536  1.951005       2.637748  412.7857 72.83791 233.1368 105.2322 179.6488       127.9811 
1 1 1 4   23 15 o 435.5537 64.21354 7.071739       1.334346  7.355010       1.696508  6.612255       2.160681  474.1354 73.01922 396.9720 105.6490 77.16345       128.4271 
1 1 1 4   23 16 o 385.5459 67.78081 5.930898       1.296973  5.180970       1.666426  7.083110       2.065582  361.7426 91.05697 409.3491 100.4270 -47.60651      135.5616 
1 1 1 4   24 0  o 253.3833 78.25304 1.828115       1.104843  0.000000       0.000000  1.828115       1.104843  ?        ?        253.3833 78.25304 ?              ?        
1 1 1 4   24 1  o 207.8387 66.60712 -0.3146397     0.5533084 -0.4290982     0.5632500 2.842142       2.958009  100.7718 46.64917 314.9055 124.7794 -214.1337      133.2142 
1 1 1 4   24 2  o 161.8844 44.37227 0.1960462      0.5632266 -0.4420910     0.7325574 1.118642       0.8808266 117.9835 54.10138 205.7853 70.34653 -87.80180      88.74454 
1 1 1 4   24 3  o 224.3492 50.28590 1.314175       0.6515453 0.8570880      0.8534296 1.952816       1.008780  188.3537 68.77416 260.3446 73.38120 -71.99097      100.5718 
1 1 1 4   24 4  o 282.2752 63.74031 1.289743       0.8924255 0.5361753      0.9829065 4.826704       2.129444  177.1238 71.33786 387.4267 105.6514 -210.3029      127.4806 
1 1 1 4   24 5  o 262.2668 50.54096 1.864835       0.6840909 2.715018       1.121092  1.360480       0.8634818 304.8128 73.50275 219.7207 69.38947 85.09215       101.0819 
1 1 1 4   24 6  o 205.9240 48.72275 1.140758       0.7164792 -0.6774786     1.333156  1.879213       0.8496059 156.5202 72.21381 255.3278 65.42776 -98.80768      97.44550 
1 1 1 4   24 7  o 196.3446 56.43275 0.8440639      0.6601468 0.9760932      0.6898772 -0.5894739     2.273219  188.7608 62.22883 203.9284 94.16048 -15.16759      112.8655 
1 1 1 4   24 8  o 300.1503 63.66842 3.004507       0.9508842 3.169865       1.036908  2.130151       2.384362  331.5991 64.08414 268.7015 110.0359 62.89758       127.3368 
1 1 1 4   24 9  o 202.7798 61.44965 0.1434558      0.7151486 -0.1364596     0.7551866 2.575270       2.225902  128.8606 57.37508 276.6989 108.6846 -147.8384      122.8993 
1 1 1 4   24 10 o 233.5193 61.73034 1.580703       0.7372220 1.648985       0.7637324 0.6480470      2.822587  235.3092 62.89962 231.7293 106.2364 3.579971       123.4607 
1 1 1 4   24 11 o 270.7488 68.89208 2.591331       1.047424  2.608911       1.116428  2.462161       3.026231  283.6345 76.14705 257.8630 114.8308 25.77151       137.7842 
1 1 1 4   24 12 o 249.7792 55.56805 2.483212       0.8726972 2.876655       0.9278186 -0.5359855     2.570208  306.7846 61.87255 192.7737 92.32021 114.0109       111.1361 
1 1 1 4   24 13 f 243.2450 69.56464 2.453507       1.339238  2.838641       1.869566  2.047588       1.919352  256.6971 99.95174 229.7928 96.78123 26.90437       139.1293 
1 1 1 4   24 14 o 209.7758 62.23886 1.524314       1.007241  1.707974       1.056470  -0.3097341     3.338534  219.7907 76.94398 199.7610 97.84849 20.02968       124.4777 
1 1 1 4   24 15 o 176.9870 57.22610 0.5546569      1.066814  0.3470537      1.278711  1.030045       1.934993  161.9145 73.15941 192.0596 88.01708 -30.14510      114.4522 
1 1 1 4   25 0  o 349.3342 71.67207 3.940309       1.227422  3.815026       2.631925  3.975131       1.387552  331.6656 120.8250 367.0028 77.12888 -35.33719      143.3441 
1 1 1 4   25 1  o 294.1940 72.09721 2.562602       1.035512  2.591561       1.093655  2.311769       3.218724  296.6852 73.25043 291.7027 124.2031 4.982544       144.1944 
1 1 1 4   25 2  o 308.7147 52.73517 2.811368       0.8106421 2.720989       1.082948  2.926549       1.222546  304.6662 71.44778 312.7632 77.58356 -8.097076      105.4703 
1 1 1 4   25 3  o 256.1869 54.03934 1.935292       0.7428688 1.847274       0.9570171 2.068724       1.178324  250.4535 71.77905 261.9202 80.80080 -11.46669      108.0787 
1 1 1 4   25 4  o 306.3514 63.06301 2.056226       0.9803422 1.024550       1.118722  5.469734       2.034936  203.5317 77.82677 409.1711 99.25104 -205.6393      126.1260 
1 1 1 4   25 5  o 176.6947 47.47832 0.6563873      0.5540549 1.057517       0.9854517 0.4709779      0.6699756 200.3604 73.78934 153.0289 59.76536 47.33154       94.95665 
1 1 1 4   25 6  o 142.4602 44.29818 0.6907334E-01  0.5630950 -0.8050374     1.243776  0.2944242      0.6315219 145.3408 67.96544 139.5795 56.83321 5.761292       88.59636 
1 1 1 4   25 7  o 300.1307 50.77916 2.721393       0.7494901 2.683352       0.9634821 2.779689       1.192712  301.7978 64.98078 298.4635 78.04864 3.334259       101.5583 
1 1 1 4   25 8  o 224.1800 60.48464 1.486961       0.8811910 1.632166       0.9780082 0.8605761      2.031297  230.2902 73.96761 218.0698 95.72021 12.22035       120.9693 
1 1 1 4   25 9  o 351.7722 65.67226 4.749682       1.163929  5.109185       1.324754  3.532848       2.437249  413.1346 65.52431 290.4099 113.8330 122.7248       131.3445 
1 1 1 4   25 10 o 291.8965 57.83198 3.553538       0.8869264 3.832581       0.9269630 0.5309544      3.050816  365.1565 51.57753 218.6365 103.5273 146.5199       115.6640 
1 1 1 4   25 11 o 191.7081 66.67429 1.154635       0.7926556 1.154635       0.7926556 0.000000       0.000000  191.7081 66.67429 ?        ?        ?              ?        
1 1 1 4   25 12 o 229.3031 68.46090 1.576306       0.9199240 1.333795       0.9628252 4.117121       3.116509  199.7060 73.02940 258.9002 115.8201 -59.19424      136.9218 
1 1 1 4   25 13 o 226.7133 62.47504 2.132903       1.181337  2.971660       1.435200  0.3706966      2.080284  268.6610 89.80521 184.7657 86.87663 83.89536       124.9501 
1 1 1 4   25 14 o 174.8316 58.58660 0.3377137      0.8722938 0.1415449      0.9203039 2.072077       2.736442  139.7475 62.69734 209.9157 98.98789 -70.16815      117.1732 
1 1 1 4   26 0  o 209.6763 62.10297 0.8999287      0.9942014 0.6406940      2.101908  0.9746425      1.128412  220.0088 96.94662 199.3439 77.64320 20.66486       124.2059 
1 1 1 4   26 1  o 424.2371 48.13175 5.341318       0.9765242 5.941623       1.309945  4.590423       1.465065  459.8459 57.52615 388.6282 77.18423 71.21777       96.26350 
1 1 1 4   26 2  o 268.8449 66.68497 2.154054       0.9633828 2.023802       1.068312  2.721117       2.229049  256.3738 76.49895 281.3161 109.2495 -24.94226      133.3699 
1 1 1 4   26 3  o 308.9342 50.97084 2.900909       0.7920209 2.235950       1.105997  3.600864       1.134729  268.0366 77.26488 349.8318 66.49996 -81.79523      101.9417 
1 1 1 4   26 4  o 412.7350 52.16902 5.166181       1.031258  5.230866       1.343673  5.073464       1.608681  423.6243 64.70362 401.8456 81.85271 21.77869       104.3380 
1 1 1 4   26 5  o 205.8595 60.24844 1.004755       0.9906024 1.307544       1.130058  0.6387013E-04  2.058482  212.5536 78.87711 199.1654 91.09280 13.38820       120.4969 
1 1 1 4   26 6  o 165.9389 43.70970 0.5645828      0.5785669 -0.5763298     0.9544101 1.227436       0.7274740 128.6618 59.95535 203.2160 63.62002 -74.55421      87.41940 
1 1 1 4   26 7  o 184.7412 50.57988 0.8875356      0.6772400 1.131065       0.9856267 0.6697226      0.9321343 197.3296 73.57777 172.1528 69.42339 25.17679       101.1598 
1 1 1 4   26 8  o 217.0273 62.70800 0.8937406      0.8836172 0.3681283      0.9792901 3.196314       2.049677  158.9271 68.10901 275.1274 105.3107 -116.2003      125.4160 
1 1 1 4   26 9  o 185.1739 60.89487 0.1790922      1.375835  -0.1755659E-05 1.870205  0.3903480      2.031202  179.2993 83.67767 191.0484 88.49174 -11.74910      121.7897 
1 1 1 4   26 10 o 287.7750 61.54080 3.425847       0.8784477 3.462281       0.9147624 2.994111       3.148959  338.4197 55.30160 237.1303 109.9582 101.2894       123.0816 
1 1 1 4   26 11 o 131.3458 57.02738 0.1861836      0.7041852 0.1861836      0.7041852 0.000000       0.000000  131.3458 57.02738 ?        ?        ?              ?        
1 1 1 4   26 12 f 164.4678 55.99983 0.1674716      0.8127928 0.1686782      0.8417120 0.1508117      3.127635  137.4381 60.91467 191.4976 93.98577 -54.05957      111.9997 
1 1 1 4   26 13 o 195.0866 64.40974 1.386703       1.333596  1.206859       1.451085  2.364326       3.383217  184.7400 81.00108 205.4333 100.1663 -20.69337      128.8195 
1 1 1 4   27 0  o 483.3520 56.42741 7.255204       1.297091  5.067032       1.735729  10.02259       1.951983  387.3708 90.19081 579.3331 67.83679 -191.9622      112.8548 
1 1 1 4   27 1  o 220.2487 65.87727 1.211241       1.090145  1.347038       2.490940  1.179070       1.212420  234.8052 104.3948 205.6923 80.38022 29.11296       131.7545 
1 1 1 4   27 2  o 229.1297 64.00258 1.477734       0.9157252 1.369715       1.006783  1.995158       2.203480  211.9979 75.03537 246.2615 103.7064 -34.26358      128.0052 
1 1 1 4   27 3  o 184.9774 47.99652 0.5799176      0.7380888 1.878014       0.9940135 -1.015368      1.101940  242.1862 74.13013 127.7686 60.98679 114.4176       95.99305 
1 1 1 4   27 4  o 223.6401 52.34856 1.467206       0.8007764 2.627068       1.114412  0.2290055      1.151433  283.5917 76.05409 163.6885 71.95318 119.9032       104.6971 
1 1 1 4   27 5  o 388.9588 56.15632 5.172560       1.012675  4.442813       1.736948  5.548342       1.246434  344.1727 96.03739 433.7450 58.23185 -89.57233      112.3126 
1 1 1 4   27 6  o 212.8615 58.73437 1.475760       1.110078  2.359174       1.217065  -2.896607      2.707634  257.1154 82.50661 168.6077 83.61558 88.50769       117.4687 
1 1 1 4   27 7  o 197.5011 63.79284 0.3107821      1.050768  -0.2765808     1.153138  3.185218       2.550964  143.7559 66.61780 251.2464 108.8126 -107.4905      127.5857 
1 1 1 4   27 8  o 172.5368 55.31898 0.5083230      0.9502051 0.6731799      1.065297  -0.1333521     2.101719  168.0072 71.49259 177.0665 84.43678 -9.059357      110.6380 
1 1 1 4   27 9  o 187.4279 58.88231 0.9559678      0.9414141 0.8396385      1.040711  1.479792       2.208402  171.9506 71.76603 202.9052 93.37098 -30.95462      117.7646 
1 1 1 4   27 10 o 155.3312 51.69702 0.2550998      0.6665331 0.2963849      0.6918021 -0.2792691     2.488890  134.1835 57.36814 176.4789 86.01874 -42.29532      103.3940 
1 1 1 4   27 11 o 207.9090 61.66386 1.865957       1.027296  1.933884       1.089692  1.323268       3.080064  220.0151 78.04340 195.8030 95.49321 24.21210       123.3277 
1 1 1 4   27 12 o 171.1151 56.47668 0.7618854      0.8718629 0.7489021      0.9053824 0.9275523      3.234137  158.2415 66.54908 183.9885 91.26710 -25.74699      112.9534 
1 1 1 4   28 0  o 166.8318 51.25981 0.3342172      0.7657806 0.1514701E-01  0.9412181 0.9590146      1.317094  142.4709 63.69830 191.1928 80.32932 -48.72197      102.5196 
1 1 1 4   28 1  o 378.7663 63.33028 6.858413       1.480715  2.092937       2.922009  8.504965       1.717576  234.9393 107.8491 522.5933 66.41885 -287.6541      126.6606 
1 1 1 4   28 2  o 173.6004 51.29626 0.3105765      0.8233590 -0.7792383     1.113309  1.626264       1.223251  130.4760 62.00233 216.7249 81.73699 -86.24890      102.5925 
1 1 1 4   28 3  f 150.4411 64.87270 0.3299251      0.8988363 0.3299251      0.8988363 0.000000       0.000000  150.4411 64.87270 ?        ?        ?              ?        
1 1 1 4   28 4  o 199.9152 74.22410 1.348048       1.000911  0.000000       0.000000  1.348048       1.000911  ?        ?        199.9152 74.22410 ?              ?        
1 1 1 4   28 5  o 297.8920 55.13897 3.357427       0.8686246 2.589310       1.364126  3.881275       1.126533  252.0742 87.47826 343.7098 67.14743 -91.63560      110.2779 
1 1 1 4   28 6  o 129.2983 42.06620 -0.4538059E-01 0.5483283 -0.2376325     1.167373  0.9043125E-02  0.6211099 141.5339 66.07215 117.0628 52.08389 24.47118       84.13240 
1 1 1 4   28 7  o 233.8412 65.19566 2.781171       1.255073  3.137124       1.405396  1.379171       2.789177  268.8999 88.82705 198.7825 95.45496 70.11739       130.3913 
1 1 1 4   28 8  o 258.0479 55.89439 2.614246       0.8251820 1.904725       1.122309  3.449170       1.217456  217.0346 78.92506 299.0611 79.16798 -82.02655      111.7888 
1 1 1 4   28 9  o 158.3798 53.67554 -0.8022190E-01 0.9144186 -0.4030622     1.009547  1.394712       2.157838  126.3972 59.76186 190.3624 89.17833 -63.96519      107.3511 
1 1 1 4   28 10 o 122.0891 57.21804 -0.2598327     0.8898694 -0.2598327     0.8898694 0.000000       0.000000  122.0891 57.21804 ?        ?        ?              ?        
1 1 1 4   28 11 o 170.8940 56.93294 1.053555       1.224277  1.281686       1.323357  -0.3010738     3.224742  175.3534 77.10813 166.4345 83.78409 8.918884       113.8659 
1 1 1 4   29 0  o 257.1086 61.39666 2.692242       0.9346552 2.224543       1.201449  3.409162       1.487502  234.9441 82.06476 279.2732 91.34318 -44.32904      122.7933 
1 1 1 4   29 1  o 241.7495 70.82442 2.890967       1.289974  4.213604       3.089236  2.611640       1.419669  239.8923 110.4067 243.6067 88.73981 -3.714386      141.6488 
1 1 1 4   29 2  o 203.3278 62.01860 1.446449       1.370031  -1.315531      2.247086  3.080597       1.728444  158.8104 78.27955 247.8453 96.21612 -89.03488      124.0372 
1 1 1 4   29 3  o 157.5122 68.61771 0.5641052      1.026454  0.5641052      1.026454  0.000000       0.000000  157.5122 68.61771 ?        ?        ?              ?        
1 1 1 4   29 4  o 207.7083 63.60855 1.279079       1.101641  0.2224962      1.280492  4.288807       2.161170  153.7483 70.87827 261.6682 105.6431 -107.9199      127.2171 
1 1 1 4   29 5  o 186.9981 60.47507 1.303167       1.229563  1.208152       1.472131  1.522359       2.235950  182.4355 80.72313 191.5606 90.07061 -9.125107      120.9501 
1 1 1 4   29 6  o 237.3310 74.19366 4.199907       1.765670  4.860962       2.509783  3.552115       2.484479  251.2872 108.3808 223.3748 101.3529 27.91240       148.3873 
1 1 1 4   29 7  o 187.8847 59.52357 1.544941       1.190645  1.833822       1.307593  0.1432333      2.880331  201.4104 81.86833 174.3591 86.42799 27.05136       119.0471 
1 1 1 4   29 8  o 188.3903 57.20465 1.373786       0.9142969 2.580692       1.636775  0.8263918      1.102307  214.8593 89.86568 161.9213 70.80713 52.93797       114.4093 
1 1 1 4   29 9  o 165.6705 55.00249 0.8556346      1.020819  0.7113494      1.138192  1.448968       2.308095  155.2322 69.67931 176.1088 85.12280 -20.87663      110.0050 
1 1 1 4   29 10 o 228.3471 72.95216 2.291170       0.9523100 2.291170       0.9523100 0.000000       0.000000  228.3471 72.95216 ?        ?        ?              ?        
1 1 1 4   30 0  f 167.4422 49.84270 0.8145440      0.8262141 1.697583       1.050632  -0.6165849     1.337519  200.8075 75.74654 134.0768 64.80463 66.73068       99.68540 
1 1 1 4   30 1  o 182.8838 55.54520 1.093886       0.9440547 0.1076124      1.221796  2.555130       1.487172  144.5606 67.52190 221.2070 88.21491 -76.64633      111.0904 
1 1 1 4   30 2  o 186.2344 58.87210 1.272728       1.286668  -0.9866976     1.968745  2.957310       1.699951  147.0184 72.61653 225.4505 92.68515 -78.43208      117.7442 
1 1 1 4   30 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 4   30 4  o 227.9780 86.43382 2.659906       1.372449  2.659906       1.372449  0.000000       0.000000  227.9780 86.43382 ?        ?        ?              ?        
1 1 1 4   30 5  o 157.6322 70.94341 0.7294957      1.188664  0.7294957      1.188664  0.000000       0.000000  157.6322 70.94341 ?        ?        ?              ?        
1 1 1 4   30 6  o 113.8347 57.73397 -3.469102      1.726370  -3.469102      1.726370  0.000000       0.000000  113.8347 57.73397 ?        ?        ?              ?        
1 1 1 4   30 7  o 159.4698 73.61767 0.5512843E-01  1.248086  0.9183580      1.388496  -3.577118      2.848191  159.4698 73.61767 ?        ?        ?              ?        
1 1 1 4   30 8  o 108.3923 52.67980 -0.6321382     0.9150605 0.000000       0.000000  -0.6321382     0.9150605 ?        ?        108.3923 52.67980 ?              ?        
1 1 1 4   31 0  o 139.3463 46.90351 0.7545962E-01  0.9060769 0.3058833      1.138538  -0.3225520     1.496345  140.9646 65.61997 137.7280 67.03562 3.236664       93.80701 
1 1 1 4   31 1  o 142.9619 47.87524 0.8327790E-01  0.9335935 -0.7500845     1.288967  1.002903       1.354036  124.5712 60.97179 161.3526 73.82816 -36.78138      95.75049 
1 1 1 4   31 2  o 121.4645 42.04486 -0.7516119     0.8570268 -0.7474232     1.126537  -0.7573669     1.320471  117.8283 57.52804 125.1007 61.33193 -7.272461      84.08972 
1 1 1 4   31 3  f 137.0121 64.46743 0.2076276      1.148942  0.000000       0.000000  0.2076276      1.148942  ?        ?        137.0121 64.46743 ?              ?        
1 1 1 4   31 4  o 107.4558 37.45033 -1.008870      0.7260266 -1.251237      1.100516  -0.8220992     0.9660822 107.3267 53.23920 107.5848 52.68486 -0.2581558     74.90065 
1 1 1 4   31 5  o 147.1114 49.62726 0.6464437      1.008252  0.8641907      1.137987  -0.1485368     2.174399  150.0916 68.29111 144.1312 72.02627 5.960373       99.25452 
1 1 1 4   31 6  o 180.4140 56.56248 2.475875       1.144664  2.681920       1.284438  1.680729       2.523226  204.2696 81.80326 156.5583 78.13759 47.71124       113.1250 
1 1 1 4   32 0  o 181.2461 57.64343 2.401673       1.051040  1.710879       1.290813  3.760699       1.810518  165.4837 74.24784 197.0086 88.19479 -31.52493      115.2869 
1 1 1 4   32 1  o 162.3562 52.63385 1.714635       0.9819860 1.749688       1.305079  1.668890       1.490868  165.3443 74.38261 159.3682 74.48835 5.976105       105.2677 
1 1 1 4   32 2  o 153.6809 51.41346 1.422068       1.083417  2.158388       1.496180  0.6103525      1.570916  168.5179 77.29012 138.8440 67.82044 29.67395       102.8269 
1 1 1 5   0  0  o 3542.345 60.73143 318.3120       15.38246  318.3120       15.38246  318.3120       15.38246  3542.345 85.88721 3542.345 85.88721 0.000000       0.000000 
1 1 1 5   0  1  o 1019.023 32.91765 26.45347       2.390245  26.45347       2.390245  26.45347       2.390245  1019.023 46.55259 1019.023 46.55259 0.000000       0.000000 
1 1 1 5   0  2  o 2309.893 64.03149 135.8041       10.55275  135.8041       10.55275  135.8041       10.55275  2309.893 90.55420 2309.893 90.55420 0.000000       0.000000 
1 1 1 5   0  3  o 2339.199 64.63865 139.5065       10.78820  139.5065       10.78820  139.5065       10.78820  2339.199 91.41286 2339.199 91.41286 0.000000       0.000000 
1 1 1 5   0  4  o ?        ?        516.1369       23.90565  516.1369       23.90565  516.1369       23.90565  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 5   0  5  o ?        ?        835.2672       37.60871  835.2672       37.60871  835.2672       37.60871  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 5   0  6  o 1215.168 34.54553 37.59776       2.994532  37.59776       2.994532  37.59776       2.994532  1215.168 48.85476 1215.168 48.85476 0.000000       0.000000 
1 1 1 5   0  7  o 322.2264 44.11835 2.907609       0.9080578 2.907609       0.9080578 2.907609       0.9080578 322.2264 62.39277 322.2264 62.39277 0.000000       0.000000 
1 1 1 5   0  8  o 2353.334 65.22388 141.3509       10.95143  141.3509       10.95143  141.3509       10.95143  2353.334 92.24049 2353.334 92.24049 0.000000       0.000000 
1 1 1 5   0  9  o 3422.618 85.05000 301.0154       20.78325  301.0154       20.78325  301.0154       20.78325  3422.618 120.2789 3422.618 120.2789 0.000000       0.000000 
1 1 1 5   0  10 o 3830.253 64.93864 374.6574       17.78546  374.6574       17.78546  374.6574       17.78546  3830.253 91.83710 3830.253 91.83710 0.000000       0.000000 
1 1 1 5   0  11 o 471.3766 42.42200 5.905830       1.368466  5.905830       1.368466  5.905830       1.368466  471.3766 59.99377 471.3766 59.99377 0.000000       0.000000 
1 1 1 5   0  12 o 884.3860 35.43125 20.03315       2.227032  20.03315       2.227032  20.03315       2.227032  884.3860 50.10735 884.3860 50.10735 0.000000       0.000000 
1 1 1 5   0  13 o 1649.064 55.58261 69.87365       6.528602  69.87365       6.528602  69.87365       6.528602  1649.064 78.60568 1649.064 78.60568 0.000000       0.000000 
1 1 1 5   0  14 o 1701.548 56.56305 74.61233       6.856195  74.61233       6.856195  74.61233       6.856195  1701.548 79.99223 1701.548 79.99223 0.000000       0.000000 
1 1 1 5   0  15 o 592.5208 55.56290 9.464314       2.241443  9.464314       2.241443  9.464314       2.241443  592.5208 78.57781 592.5208 78.57781 0.000000       0.000000 
1 1 1 5   0  16 o 1044.806 52.54129 28.58473       3.884714  28.58473       3.884714  28.58473       3.884714  1044.806 74.30460 1044.806 74.30460 0.000000       0.000000 
1 1 1 5   0  17 o 157.5241 64.25195 0.8464736      1.168316  0.8464736      1.168316  0.8464736      1.168316  157.5241 90.86597 157.5241 90.86597 0.000000       0.000000 
1 1 1 5   0  18 o 448.1536 48.66855 5.578921       1.452109  5.578921       1.452109  5.578921       1.452109  448.1536 68.82773 448.1536 68.82773 0.000000       0.000000 
1 1 1 5   0  19 o 1161.367 38.21192 35.27205       3.161693  35.27205       3.161693  35.27205       3.161693  1161.367 54.03982 1161.367 54.03982 0.000000       0.000000 
1 1 1 5   0  20 o 169.3748 65.55167 1.171579       1.137027  1.171579       1.137027  1.171579       1.137027  169.3748 92.70406 169.3748 92.70406 0.000000       0.000000 
1 1 1 5   0  21 o 103.1259 50.05968 -0.5884377     1.194899  -0.5884377     1.194899  -0.5884377     1.194899  103.1259 70.79507 103.1259 70.79507 0.000000       0.000000 
1 1 1 5   0  22 o 532.7769 52.19791 8.349172       1.882008  8.349172       1.882008  8.349172       1.882008  532.7769 73.81900 532.7769 73.81900 0.000000       0.000000 
1 1 1 5   0  23 o 120.9258 57.91456 -0.1342714     1.488450  -0.1342714     1.488450  -0.1342714     1.488450  120.9258 81.90356 120.9258 81.90356 0.000000       0.000000 
1 1 1 5   1  0  o 4727.536 108.9088 566.4175       26.06643  0.000000       0.000000  566.4175       26.06643  ?        ?        4727.536 108.9088 ?              ?        
1 1 1 5   1  1  o 249.0976 57.22745 1.634635       0.7065278 0.000000       0.000000  1.634635       0.7065278 ?        ?        249.0976 57.22745 ?              ?        
1 1 1 5   1  2  o 3317.996 72.15115 283.9571       11.32932  266.1353       19.60882  292.8874       13.88054  3237.050 119.6516 3398.942 80.66386 -161.8914      144.3023 
1 1 1 5   1  3  o 1844.546 48.53091 85.94575       4.280200  84.96764       5.237698  87.91197       7.426175  1829.891 56.53685 1859.201 78.89603 -29.31042      97.06183 
1 1 1 5   1  4  o ?        ?        3.407999       0.6274419 3.615558       0.9082819 3.218539       0.8677769 ?        ?        ?        ?        ?              ?        
1 1 1 5   1  5  o ?        ?        92.74267       3.929838  93.26445       5.558009  92.22102       5.557252  ?        ?        ?        ?        ?              ?        
1 1 1 5   1  6  o 2525.845 47.75227 162.0940       6.105839  159.5833       8.634492  164.6053       8.635429  2506.210 68.05119 2545.481 67.00858 -39.27148      95.50453 
1 1 1 5   1  7  o 2088.228 42.69667 110.6195       4.513278  112.8474       6.384860  108.3946       6.380621  2109.285 59.79052 2067.170 60.96817 42.11548       85.39335 
1 1 1 5   1  8  o 2112.121 52.25087 112.7200       5.283613  111.2812       6.472353  115.5941       9.147885  2093.522 61.06622 2130.720 84.80289 -37.19824      104.5017 
1 1 1 5   1  9  o 1813.291 49.04749 83.64997       4.250277  84.29425       7.352363  83.32660       5.208814  1816.471 79.94933 1810.110 56.83949 6.360718       98.09497 
1 1 1 5   1  10 o 2425.212 46.53492 149.8651       5.711102  155.2798       8.088760  144.4826       8.064728  2469.158 64.70673 2381.266 66.89570 87.89209       93.06984 
1 1 1 5   1  11 o 2720.767 61.87357 188.5748       8.048944  191.0558       13.92474  187.3298       9.863732  2729.945 100.7510 2711.589 71.85114 18.35571       123.7471 
1 1 1 5   1  12 o 1154.313 43.94162 33.78793       2.378350  33.44577       2.869174  34.53938       4.251993  1147.355 49.39415 1161.270 72.68893 -13.91553      87.88323 
1 1 1 5   1  13 o 1264.982 50.85974 40.73272       3.257183  40.73272       3.257183  0.000000       0.000000  1264.982 50.85974 ?        ?        ?              ?        
1 1 1 5   1  14 o 1684.425 56.01140 72.44804       4.776523  0.000000       0.000000  72.44804       4.776523  ?        ?        1684.425 56.01140 ?              ?        
1 1 1 5   1  15 o 561.4412 48.42669 8.645103       1.218276  9.401648       1.490347  7.121419       2.115035  604.9064 49.08827 517.9760 83.49203 86.93036       96.85339 
1 1 1 5   1  16 o 657.8382 44.81060 11.26372       1.420430  11.23422       1.788758  11.31409       2.336987  659.1794 54.07622 656.4969 71.46832 2.682495       89.62119 
1 1 1 5   1  17 o 1118.565 52.18194 33.04329       2.928590  29.85480       4.106104  36.34463       4.178139  1061.423 76.93359 1175.707 70.51981 -114.2843      104.3639 
1 1 1 5   1  18 o 955.3582 47.00006 24.12435       2.113010  24.15216       3.691905  24.11081       2.576781  948.4301 77.56731 962.2862 53.09742 -13.85608      94.00012 
1 1 1 5   1  19 o 173.6448 75.53904 -0.6814268E-01 1.240334  0.000000       0.000000  -0.6814268E-01 1.240334  ?        ?        173.6448 75.53904 ?              ?        
1 1 1 5   1  20 o 425.6565 67.10430 5.434733       1.304261  5.599336       1.543025  5.022856       2.440829  450.3538 69.94537 400.9592 114.5408 49.39459       134.2086 
1 1 1 5   1  21 o 211.7671 59.11839 0.7789529      0.9905987 -0.1205510     1.413892  1.646183       1.388295  178.3408 79.00092 245.1933 87.97041 -66.85258      118.2368 
1 1 1 5   1  22 o 230.6314 60.85855 1.377535       0.9706637 1.805706       1.356029  0.9276071      1.390055  249.9803 87.19180 211.2826 84.92730 38.69774       121.7171 
1 1 1 5   1  23 o 206.0839 59.09543 0.8986056      0.9864410 1.353497       1.283267  0.2415852      1.542242  222.1004 83.72926 190.0675 83.41757 32.03291       118.1909 
1 1 1 5   2  0  o 3005.799 75.76376 228.8718       11.52936  0.000000       0.000000  228.8718       11.52936  ?        ?        3005.799 75.76376 ?              ?        
1 1 1 5   2  1  o 2993.347 75.67091 227.0296       11.46753  0.000000       0.000000  227.0296       11.46753  ?        ?        2993.347 75.67091 ?              ?        
1 1 1 5   2  2  o 4498.822 90.49189 513.6992       19.44227  517.7788       33.68834  511.6619       23.80711  4508.752 147.5841 4488.891 104.7572 19.86133       180.9838 
1 1 1 5   2  3  o 577.6544 32.14086 8.522633       0.9323558 8.592594       1.318953  8.452756       1.318148  580.0598 45.27162 575.2491 45.63573 4.810669       64.28172 
1 1 1 5   2  4  o ?        ?        38.60608       2.465564  37.80190       3.008724  40.25019       4.302005  ?        ?        ?        ?        ?              ?        
1 1 1 5   2  5  o 3319.430 72.44900 360.2511       12.17375  355.0499       17.21411  365.4550       17.21844  3288.594 103.3929 3350.266 101.5152 -61.67188      144.8980 
1 1 1 5   2  6  o 2682.793 49.75632 182.8565       6.758011  182.7732       9.559677  182.9398       9.554867  2682.177 70.39992 2683.408 70.33221 -1.231445      99.51265 
1 1 1 5   2  7  o 2895.676 63.84610 212.5628       8.841814  211.2070       10.83601  215.2637       15.29460  2884.054 74.21342 2907.298 103.9118 -23.24316      127.6922 
1 1 1 5   2  8  o 2047.943 52.47554 107.3750       5.111366  104.5904       8.850745  108.7685       6.260968  2026.187 86.28128 2069.699 59.75175 -43.51160      104.9511 
1 1 1 5   2  9  o 1496.109 45.11581 56.37653       3.234566  58.94901       5.614244  55.09839       3.957362  1519.980 72.95746 1472.239 53.09381 47.74170       90.23161 
1 1 1 5   2  10 o 496.1390 48.80354 6.048065       1.110136  5.514725       1.320894  7.330932       2.048597  462.1012 57.71964 530.1769 78.71204 -68.07578      97.60709 
1 1 1 5   2  11 o 2524.577 48.04911 162.2959       6.139762  157.9795       8.674164  166.6299       8.691734  2490.752 68.78813 2558.403 67.10484 -67.65088      96.09821 
1 1 1 5   2  12 o 1948.458 41.73867 96.62020       4.116990  95.02158       5.809274  98.23325       5.835421  1932.202 59.38621 1964.713 58.66640 -32.51062      83.47735 
1 1 1 5   2  13 o 1051.789 43.87664 29.09062       2.170504  30.69132       2.676988  26.01914       3.708221  1098.295 48.14419 1005.282 73.36741 93.01227       87.75329 
1 1 1 5   2  14 o 679.9871 51.75855 11.85974       1.768451  0.000000       0.000000  11.85974       1.768451  ?        ?        679.9871 51.75855 ?              ?        
1 1 1 5   2  15 o 1049.947 44.41706 28.82086       2.197763  29.71722       2.696982  27.04902       3.791825  1078.736 49.38318 1021.158 73.84309 57.57806       88.83412 
1 1 1 5   2  16 o 511.9399 41.35534 6.828758       1.052071  6.620271       1.460650  7.053533       1.516634  503.7623 58.35167 520.1176 58.61860 -16.35526      82.71069 
1 1 1 5   2  17 o 386.2792 46.27990 4.013944       0.8682151 3.557177       1.244789  4.446656       1.211568  362.7879 70.31213 409.7705 60.19569 -46.98260      92.55980 
1 1 1 5   2  18 o 705.3203 46.64868 13.22963       1.582615  13.32307       1.993695  13.07045       2.602274  713.3367 55.64537 697.3040 74.88652 16.03265       93.29736 
1 1 1 5   2  19 f 381.8428 102.6627 4.278380       2.027560  0.000000       0.000000  4.278380       2.027560  ?        ?        381.8428 102.6627 ?              ?        
1 1 1 5   2  20 o 327.1545 77.16484 3.163538       1.561296  4.229219       2.158060  1.993155       2.261588  371.0244 108.2119 283.2848 110.0356 87.73959       154.3297 
1 1 1 5   2  21 o 328.9047 65.55157 3.675376       1.242421  1.377336       2.309461  4.611334       1.473872  257.6471 107.1671 400.1624 75.51986 -142.5152      131.1031 
1 1 1 5   2  22 o 200.4210 58.62576 0.6318974      0.9842029 1.031439       1.358081  0.1899597      1.428320  214.1741 84.64871 186.6679 81.13268 27.50624       117.2515 
1 1 1 5   2  23 o 243.0387 65.09039 1.590718       1.100520  0.9730432      1.427782  2.494851       1.727420  209.6243 85.41599 276.4530 98.24024 -66.82869      130.1808 
1 1 1 5   3  0  o 3217.689 55.99755 262.4026       9.121897  264.6199       12.90058  260.1855       12.90004  3231.300 78.85845 3204.079 79.52512 27.22070       111.9951 
1 1 1 5   3  1  o 3245.271 56.76703 267.0393       9.326114  270.6799       13.18968  263.3994       13.18855  3267.427 79.73421 3223.115 80.82351 44.31177       113.5341 
1 1 1 5   3  2  o 2068.237 52.37254 109.3799       5.145154  106.2591       8.927878  110.9318       6.295794  2044.961 86.23421 2091.512 59.45747 -46.55139      104.7451 
1 1 1 5   3  3  o 1807.981 55.80074 97.47096       4.725662  95.43951       8.206612  98.47873       5.780164  1738.715 93.57354 1877.246 60.81844 -138.5316      111.6015 
1 1 1 5   3  4  o ?        ?        49.89879       2.924332  49.93529       3.576338  49.82516       5.079960  ?        ?        ?        ?        ?              ?        
1 1 1 5   3  5  o 2134.721 54.45028 118.8292       5.493991  111.2768       9.514344  122.6072       6.729278  2077.664 90.45237 2191.778 60.64405 -114.1145      108.9006 
1 1 1 5   3  6  o 4896.682 99.96776 621.3621       23.20946  595.0615       40.20823  634.5043       28.42275  4806.872 165.2224 4986.491 112.5868 -179.6196      199.9355 
1 1 1 5   3  7  o 4013.376 95.48351 409.9036       19.40090  409.9036       19.40090  0.000000       0.000000  4013.376 95.48351 ?        ?        ?              ?        
1 1 1 5   3  8  o 3427.504 85.04001 301.6079       14.75223  309.3596       20.83644  293.8168       20.88927  3472.350 118.5267 3382.658 121.9780 89.69238       170.0800 
1 1 1 5   3  9  o 2517.505 58.81290 161.4693       7.074752  164.2944       12.26624  160.0611       8.660389  2529.541 95.78249 2505.469 68.27547 24.07227       117.6258 
1 1 1 5   3  10 o 3623.275 77.37481 338.8824       13.34158  340.8504       16.33193  334.9347       23.13127  3649.535 88.39270 3597.016 127.0204 52.51880       154.7496 
1 1 1 5   3  11 o 3442.909 59.82631 302.9791       10.41789  287.3615       14.71889  318.6573       14.74740  3353.167 86.70344 3532.652 82.45764 -179.4851      119.6526 
1 1 1 5   3  12 o 206.9256 49.29500 0.9994928      0.6288745 0.6007475      0.9229449 1.345059       0.8591986 185.2133 70.72125 228.6378 68.69128 -43.42441      98.59000 
1 1 1 5   3  13 o 294.8875 55.59221 2.232224       0.8145803 2.040370       1.006022  2.597473       1.388083  277.0970 71.29891 312.6780 85.31378 -35.58099      111.1844 
1 1 1 5   3  14 o 1156.212 44.25982 34.24081       2.450704  34.43463       4.186518  34.13977       3.022727  1155.560 71.91765 1156.864 51.60988 -1.304688      88.51965 
1 1 1 5   3  15 o 282.1270 50.75713 2.332571       0.8878505 3.732277       1.092647  -0.3877527     1.523251  377.1468 59.17227 187.1073 82.48506 190.0396       101.5143 
1 1 1 5   3  16 o 601.0986 38.13583 9.358430       1.147819  9.688440       1.637807  9.039888       1.609097  611.7180 53.42035 590.4793 54.43927 21.23871       76.27167 
1 1 1 5   3  17 o 980.9648 36.23644 24.89974       1.792724  25.77875       2.546972  24.03666       2.523777  998.4526 50.55111 963.4771 51.93172 34.97552       72.47288 
1 1 1 5   3  18 o 370.0585 60.95645 4.071282       1.094396  4.639021       1.346727  2.967360       1.877908  414.9970 66.33284 325.1200 102.2874 89.87698       121.9129 
1 1 1 5   3  19 o 466.4153 55.54830 5.947599       1.210050  6.291565       2.054832  5.764995       1.497179  471.0797 89.42940 461.7509 65.91537 9.328827       111.0966 
1 1 1 5   3  20 o 669.4154 57.86573 13.20530       1.685442  14.19626       2.030717  11.01136       3.021577  730.1652 55.34598 608.6656 101.6395 121.4996       115.7315 
1 1 1 5   3  21 o 511.7161 60.69783 7.899370       1.418529  8.343943       1.758832  7.072024       2.399364  548.7514 64.54228 474.6807 102.8163 74.07068       121.3957 
1 1 1 5   3  22 o 460.6755 64.49405 6.335820       1.376123  5.966804       1.675174  7.101644       2.413247  452.7362 75.76257 468.6147 104.3933 -15.87857      128.9881 
1 1 1 5   3  23 o 286.9722 74.68571 2.829932       1.437982  2.376560       2.312865  3.115614       1.835963  272.3643 109.5243 301.5800 101.5690 -29.21579      149.3714 
1 1 1 5   4  0  o 959.1135 32.45327 23.30180       1.575722  23.64784       2.229724  22.95658       2.227095  966.2312 45.58126 951.9958 46.20830 14.23541       64.90654 
1 1 1 5   4  1  o 399.9737 43.29580 4.257685       0.7917054 4.477655       0.9747769 3.831339       1.357075  417.7281 46.90276 382.2194 72.78899 35.50873       86.59160 
1 1 1 5   4  2  o 989.1364 39.42284 24.27213       1.868539  27.51865       3.268973  22.69666       2.277224  1035.428 62.65527 942.8447 47.86397 92.58325       78.84569 
1 1 1 5   4  3  o ?        ?        24.62844       1.878184  27.03712       3.310980  23.48562       2.280624  ?        ?        ?        ?        ?              ?        
1 1 1 5   4  4  o ?        ?        108.5963       5.084064  108.8425       6.216050  108.0989       8.836162  ?        ?        ?        ?        ?              ?        
1 1 1 5   4  5  o 1335.771 42.88980 45.09737       2.721986  44.50322       3.316874  46.32276       4.763429  1324.166 49.47694 1347.376 70.07263 -23.20996      85.77961 
1 1 1 5   4  6  o 2490.699 46.98116 157.4681       5.922558  161.9153       8.383636  153.0375       8.367910  2525.896 65.55916 2455.503 67.31207 70.39282       93.96233 
1 1 1 5   4  7  o 932.4673 39.71290 22.05514       1.768805  21.94662       2.175466  22.26681       3.038313  930.4944 46.18009 934.4402 64.62087 -3.945801      79.42580 
1 1 1 5   4  8  o 1437.412 44.42966 52.87435       3.045959  51.75739       5.226636  53.44880       3.748261  1423.856 72.74863 1450.968 51.02564 -27.11206      88.85932 
1 1 1 5   4  9  o 1490.251 36.96683 56.46833       2.789030  56.53112       3.939395  56.40522       3.949192  1491.094 52.18443 1489.409 52.37339 1.685303       73.93366 
1 1 1 5   4  10 f 2568.327 48.70900 168.0730       6.331878  172.6265       8.962782  163.5361       8.946495  2603.267 68.00493 2533.386 69.75381 69.88159       97.41799 
1 1 1 5   4  11 o 1952.427 41.57660 96.96210       4.107078  92.76215       5.795957  101.1980       5.820692  1909.774 59.94591 1995.079 57.62763 -85.30554      83.15321 
1 1 1 5   4  12 o 853.3713 34.79271 18.54781       1.495372  17.48985       2.075903  19.68890       2.155916  827.9574 49.75491 878.7852 48.64749 -50.82776      69.58541 
1 1 1 5   4  13 f 2109.934 54.09229 116.1282       5.415190  108.8113       9.309942  119.8695       6.657193  2053.427 89.55383 2166.442 60.69606 -113.0151      108.1846 
1 1 1 5   4  14 o 970.5853 35.96808 24.09632       1.760843  24.08439       2.464842  24.10876       2.516374  970.4426 50.34194 970.7280 51.38581 -0.2853394     71.93616 
1 1 1 5   4  15 o 534.4177 39.79393 7.380308       1.056662  8.220942       1.532346  6.618182       1.459039  564.0820 54.32946 504.7534 58.15960 59.32852       79.58787 
1 1 1 5   4  16 o 960.8784 35.88995 23.77809       1.739226  23.81804       2.490600  23.74006       2.429800  961.4752 51.35189 960.2816 50.15312 1.193604       71.77989 
1 1 1 5   4  17 o 567.8502 41.51207 8.460485       1.175933  8.692666       1.675536  8.235114       1.650780  575.7415 58.28654 559.9590 59.12434 15.78241       83.02414 
1 1 1 5   4  18 o 925.5493 46.05042 22.93842       2.019537  21.84560       3.431467  23.51754       2.497968  901.1512 75.92120 949.9473 52.13960 -48.79608      92.10085 
1 1 1 5   4  19 o 676.2441 40.75388 12.18001       1.372586  11.23598       1.998633  13.02271       1.888319  649.0582 61.55898 703.4301 53.42291 -54.37195      81.50777 
1 1 1 5   4  20 o 324.9338 62.02506 3.102149       1.043811  3.218969       1.501686  2.992944       1.451916  330.6360 88.11530 319.2316 87.31625 11.40442       124.0501 
1 1 1 5   4  21 f 298.3807 63.47686 2.716330       1.040045  2.901825       1.424841  2.504782       1.521615  309.4175 87.20992 287.3439 92.25874 22.07361       126.9537 
1 1 1 5   4  22 o 332.3715 64.46358 3.315882       1.184645  5.173491       1.791232  1.871698       1.579377  410.2838 88.81094 254.4592 93.46032 155.8246       128.9272 
1 1 1 5   5  0  o 2280.083 54.82701 132.6173       5.953800  132.7055       10.35006  132.5736       7.278639  2277.609 89.75943 2282.558 62.98610 -4.948730      109.6540 
1 1 1 5   5  1  o 631.5024 40.99747 10.49184       1.205866  9.915685       2.093632  10.77785       1.475116  615.2943 68.36584 647.7106 45.26900 -32.41632      81.99495 
1 1 1 5   5  2  o ?        ?        330.6826       12.90869  329.0581       15.79733  333.9471       22.39404  ?        ?        ?        ?        ?              ?        
1 1 1 5   5  3  o ?        ?        5.953094       0.8033237 6.133873       1.125448  5.765325       1.147001  ?        ?        ?        ?        ?              ?        
1 1 1 5   5  4  o 3055.662 68.97343 244.8499       10.01741  242.2087       17.37975  246.1639       12.25854  3025.939 113.4487 3085.385 78.47759 -59.44507      137.9469 
1 1 1 5   5  5  f 1256.133 42.74167 40.15533       2.548880  40.23330       3.116292  39.99775       4.430289  1259.557 48.86935 1252.709 70.13693 6.848145       85.48335 
1 1 1 5   5  6  o 2870.570 63.44259 208.9563       8.715421  207.7071       10.68934  211.4337       15.05291  2859.969 73.82541 2881.171 103.1972 -21.20142      126.8852 
1 1 1 5   5  7  o 3408.940 72.89272 296.4067       11.86564  296.8508       20.52443  296.1838       14.54212  3406.355 119.0138 3411.524 84.19681 -5.169189      145.7854 
1 1 1 5   5  8  o 1558.935 37.53494 61.77377       2.961011  63.81982       4.180680  59.71429       4.194358  1584.954 52.10106 1532.917 54.04597 52.03748       75.06989 
1 1 1 5   5  9  o 1157.478 34.85623 34.05545       2.040387  32.03220       2.867800  36.12954       2.903620  1122.547 50.46159 1192.410 48.09839 -69.86316      69.71246 
1 1 1 5   5  10 o 384.5705 52.26843 3.668985       0.9193206 4.540677       1.682293  3.297838       1.097723  414.4213 83.07460 354.7197 63.45523 59.70163       104.5369 
1 1 1 5   5  11 o 2101.727 53.01418 111.8443       5.307790  110.2282       6.467843  115.1774       9.288425  2081.325 61.38127 2122.128 86.45435 -40.80322      106.0284 
1 1 1 5   5  12 o 2720.293 62.28370 189.8370       8.097507  189.3459       9.931704  190.8106       13.98505  2721.573 72.08087 2719.013 101.5942 2.560791       124.5674 
1 1 1 5   5  13 o 1032.471 43.14572 27.82536       2.120745  25.64951       3.571803  29.01008       2.635605  997.6827 71.18207 1067.259 48.77832 -69.57623      86.29144 
1 1 1 5   5  14 o 1182.139 35.98540 35.63371       2.152670  34.31367       2.995324  37.04382       3.095833  1159.490 51.02618 1204.787 50.75556 -45.29688      71.97081 
1 1 1 5   5  15 f 751.4681 44.78450 14.72817       1.602444  14.32172       2.701932  14.94870       1.990246  740.5115 73.02132 762.4246 51.86995 -21.91309      89.56899 
1 1 1 5   5  16 o 275.2258 65.35311 1.899331       1.010283  1.918601       1.194605  1.850936       1.893149  268.3549 81.08074 282.0967 102.5184 -13.74185      130.7062 
1 1 1 5   5  17 o 922.0796 37.03653 22.08817       1.717426  23.99468       2.442620  20.22419       2.415225  962.4648 50.30347 881.6943 54.37259 80.77051       74.07306 
1 1 1 5   5  18 o 256.4267 62.53039 1.735091       0.9885467 0.8845715      1.794704  2.105521       1.184415  236.9576 96.05856 275.8958 80.08090 -38.93822      125.0608 
1 1 1 5   5  19 o 772.1650 38.98943 15.75145       1.511773  14.77549       2.133700  16.73527       2.142267  747.0336 56.84348 797.2964 53.38091 -50.26276      77.97885 
1 1 1 5   5  20 o 427.3188 59.27491 5.050279       1.175982  6.099625       2.072414  4.551931       1.428183  452.9094 93.48127 401.7283 72.90618 51.18103       118.5498 
1 1 1 5   5  21 o 250.2141 67.35538 1.653314       1.153041  1.564708       1.453045  1.803988       1.894811  240.9526 89.43660 259.4755 100.7377 -18.52290      134.7108 
1 1 1 5   5  22 o 381.0053 59.61079 4.416519       1.124629  5.314678       1.627708  3.596102       1.555669  423.0143 78.90680 338.9964 89.37283 84.01788       119.2216 
1 1 1 5   6  0  o ?        ?        154.6744       6.855344  155.6775       8.380753  152.6460       11.91742  ?        ?        ?        ?        ?              ?        
1 1 1 5   6  1  o ?        ?        243.6133       8.522449  238.9069       12.05108  248.3220       12.05405  ?        ?        ?        ?        ?              ?        
1 1 1 5   6  2  o ?        ?        465.6527       15.31636  461.7077       21.66008  469.5981       21.66112  ?        ?        ?        ?        ?              ?        
1 1 1 5   6  3  o ?        ?        228.7825       8.122817  228.0444       11.48844  229.5204       11.48636  ?        ?        ?        ?        ?              ?        
1 1 1 5   6  4  o 1831.192 49.35770 85.96034       4.286054  83.41527       7.456975  87.21593       5.237662  1809.157 81.41470 1853.228 55.82452 -44.07104      98.71540 
1 1 1 5   6  5  o 1717.065 38.55965 74.77042       3.351995  74.80467       4.739452  74.73615       4.741423  1717.460 54.50770 1716.671 54.55544 0.7895508      77.11929 
1 1 1 5   6  6  o 2769.805 61.92815 194.1236       8.217740  192.0685       10.07916  198.1985       14.19272  2750.115 72.39191 2789.495 100.4977 -39.38013      123.8563 
1 1 1 5   6  7  o 2777.504 63.12975 197.5497       8.361533  194.4338       14.43853  199.1220       10.25643  2757.357 103.4300 2797.652 72.41340 -40.29565      126.2595 
1 1 1 5   6  8  f 1288.655 35.07435 42.19452       2.286078  39.74633       3.207184  44.72316       3.259456  1250.553 50.65683 1326.757 48.52551 -76.20361      70.14870 
1 1 1 5   6  9  o 976.3711 34.01276 24.25471       1.676475  22.86417       2.356912  25.67874       2.385126  947.2982 49.31471 1005.444 46.85650 -58.14581      68.02553 
1 1 1 5   6  10 o 867.3293 44.22475 20.11249       1.777609  16.79506       3.032528  21.84909       2.194091  808.1417 74.97354 926.5169 46.92850 -118.3752      88.44951 
1 1 1 5   6  11 o 1095.691 44.91076 30.82496       2.283714  31.11675       2.747731  30.17314       4.106792  1106.729 49.03989 1084.653 75.25286 22.07581       89.82151 
1 1 1 5   6  12 o 317.2350 52.99932 2.681198       0.8237557 2.711232       1.056256  2.634572       1.316059  319.8531 67.35675 314.6170 81.84608 5.236115       105.9986 
1 1 1 5   6  13 o 1328.492 45.92037 46.03570       2.900764  42.87959       4.926979  47.71008       3.588657  1289.184 75.82255 1367.800 51.82338 -78.61548      91.84074 
1 1 1 5   6  14 o 2104.013 43.74964 113.5209       4.660125  114.0919       6.581613  112.9469       6.599248  2109.424 61.62895 2098.601 62.11277 10.82300       87.49928 
1 1 1 5   6  15 o 1741.296 50.41777 78.39855       4.192939  79.04426       7.250291  78.07408       5.139572  1740.017 82.30352 1742.574 58.25752 -2.557861      100.8355 
1 1 1 5   6  16 o 1454.592 46.91131 53.67405       3.222024  51.07893       3.876995  59.46825       5.793137  1406.831 54.43393 1502.353 76.41749 -95.52222      93.82262 
1 1 1 5   6  17 o 901.5861 43.07536 20.64452       1.886456  18.88819       2.337833  23.92249       3.193843  851.2917 54.53064 951.8806 66.69598 -100.5889      86.15071 
1 1 1 5   6  18 o 272.7985 68.35792 1.517426       1.085803  3.090380       2.110337  0.9511006      1.266272  329.8223 108.8434 215.7746 82.73054 114.0477       136.7158 
1 1 1 5   6  19 o 773.5913 39.40727 15.83678       1.532415  16.18059       2.205949  15.51613       2.130352  781.4919 56.12933 765.6907 55.32838 15.80115       78.81454 
1 1 1 5   6  20 o 480.2298 61.84361 6.323873       1.378856  8.310183       2.446263  5.398942       1.669300  527.0318 95.18456 433.4277 78.98373 93.60406       123.6872 
1 1 1 5   6  21 f 433.6519 73.67300 5.935962       1.521181  5.669147       1.845404  6.501600       2.686924  433.2372 87.15521 434.0666 118.8058 -0.8293152     147.3460 
1 1 1 5   6  22 o 290.9479 66.84522 2.781966       1.242900  3.760620       1.574226  1.162248       2.025220  345.5719 89.32780 236.3238 99.46698 109.2481       133.6904 
1 1 1 5   7  0  f ?        ?        161.5967       6.142776  162.3233       8.687008  160.8700       8.687387  ?        ?        ?        ?        ?              ?        
1 1 1 5   7  1  o ?        ?        268.6594       9.259401  268.4431       13.09501  268.8757       13.09453  ?        ?        ?        ?        ?              ?        
1 1 1 5   7  2  o 4128.893 72.82269 462.3405       15.22188  458.1646       21.52850  466.5152       21.52549  4108.898 103.4915 4148.888 102.4797 -39.98926      145.6454 
1 1 1 5   7  3  o 3051.769 66.82532 236.9591       9.737266  241.5472       16.91679  234.6859       11.90763  3068.828 108.8835 3034.709 77.50410 34.11816       133.6506 
1 1 1 5   7  4  f 991.6089 32.44194 24.92394       1.628482  24.40759       2.292406  25.44997       2.313786  981.2338 46.14614 1001.984 45.61197 -20.75031      64.88388 
1 1 1 5   7  5  f 1578.965 52.61573 63.31071       4.205185  63.79122       6.016566  62.85179       5.879849  1584.781 74.98871 1573.150 73.82652 11.63098       105.2315 
1 1 1 5   7  6  o 825.6077 41.35257 17.69115       1.581470  18.20998       1.915291  16.57952       2.803537  846.3368 44.86018 804.8785 69.48170 41.45825       82.70515 
1 1 1 5   7  7  o 1226.500 34.20467 38.18641       2.123687  37.41742       2.985240  38.97434       3.021787  1213.985 48.57157 1239.015 48.17302 -25.02917      68.40934 
1 1 1 5   7  8  o 941.6105 33.33650 22.56724       1.585578  23.28443       2.238430  21.84501       2.246283  957.3291 46.18475 925.8918 48.08595 31.43726       66.67300 
1 1 1 5   7  9  o 1873.232 40.91367 89.25996       3.880042  88.57030       5.481458  89.95254       5.492976  1865.954 58.02451 1880.510 57.69637 -14.55566      81.82735 
1 1 1 5   7  10 o 416.0182 51.63201 4.459627       0.9732705 4.733336       1.767627  4.340545       1.165923  422.8788 85.50320 409.1575 57.90217 13.72131       103.2640 
1 1 1 5   7  11 o 570.4491 47.06754 7.951293       1.194109  7.428529       1.387199  9.446817       2.346296  538.0848 51.55291 602.8134 78.76364 -64.72858      94.13509 
1 1 1 5   7  12 o 2706.762 50.75644 187.7284       6.952694  181.2921       9.814155  194.2132       9.851138  2659.679 72.88532 2753.846 70.65829 -94.16699      101.5129 
1 1 1 5   7  13 o 1848.463 41.23164 87.36318       3.858470  87.12689       5.435498  87.60319       5.478152  1845.991 58.16023 1850.935 58.46008 -4.943604      82.46328 
1 1 1 5   7  14 o 1557.406 38.57762 62.11043       3.039230  64.91450       4.294734  59.29749       4.301515  1593.039 53.25082 1521.773 55.83263 71.26624       77.15524 
1 1 1 5   7  15 o 971.2120 47.24751 24.88199       2.162589  23.47218       3.713758  25.60533       2.660139  945.1815 78.31497 997.2426 52.87792 -52.06104      94.49503 
1 1 1 5   7  16 o 807.9812 49.80306 17.51034       1.848004  17.99906       2.235976  16.45696       3.282678  833.1653 53.28843 782.7970 84.15297 50.36835       99.60612 
1 1 1 5   7  17 o 522.4392 55.75036 7.456695       1.366633  7.514600       1.711437  7.354797       2.270322  531.0526 65.01386 513.8258 90.58482 17.22681       111.5007 
1 1 1 5   7  18 o 611.8666 52.15820 9.526601       1.483871  12.13052       2.716836  8.419603       1.771426  662.8752 82.75887 560.8581 63.50498 102.0171       104.3164 
1 1 1 5   7  19 o 362.2932 57.21554 3.764414       1.041577  5.092058       1.500165  2.528719       1.447284  428.5123 71.68198 296.0740 89.19733 132.4382       114.4311 
1 1 1 5   7  20 o 389.0186 67.10523 5.035579       1.263234  3.498757       2.402184  5.623018       1.485169  329.6696 115.9884 448.3676 67.52145 -118.6980      134.2105 
1 1 1 5   7  21 o 207.3943 61.58285 0.4857126      1.194771  1.484612       1.391998  -2.309193      2.328421  234.4788 87.43787 180.3098 86.74334 54.16905       123.1657 
1 1 1 5   7  22 o 279.2783 69.90773 2.489258       1.216250  2.382691       1.556042  2.656603       1.949924  273.9142 93.49991 284.6424 103.9525 -10.72815      139.8155 
1 1 1 5   8  0  o 2312.373 64.81364 137.7056       7.584847  142.1510       10.73741  133.2782       10.71581  2350.229 90.24136 2274.517 93.05769 75.71167       129.6273 
1 1 1 5   8  1  o 636.7190 49.16710 10.45728       1.554867  11.37099       2.219420  9.576572       2.178966  664.8030 66.84829 608.6350 72.11742 56.16797       98.33421 
1 1 1 5   8  2  o 518.1970 41.37315 6.588487       0.9878839 7.745657       1.828503  6.111487       1.173967  547.9197 67.33365 488.4744 48.09501 59.44537       82.74630 
1 1 1 5   8  3  o 2569.300 48.71514 167.6841       6.334072  173.4518       8.966454  161.9388       8.949031  2613.547 67.76521 2525.054 70.00382 88.49316       97.43027 
1 1 1 5   8  4  o 2941.267 53.34524 219.7659       7.943183  222.2532       11.23775  217.2825       11.22897  2957.953 75.04197 2924.580 75.83904 33.37305       106.6905 
1 1 1 5   8  5  o 1994.488 58.89106 101.1868       5.945261  100.7728       8.486661  101.5857       8.331230  1990.374 84.22063 1998.601 82.33781 -8.227295      117.7821 
1 1 1 5   8  6  o 334.8413 59.58286 2.995280       0.9555855 3.097270       1.143198  2.758758       1.740909  342.9786 68.23793 326.7040 97.69367 16.27457       119.1657 
1 1 1 5   8  7  o 1223.381 34.71554 38.09745       2.145365  40.87989       3.026825  35.28846       3.041234  1268.531 47.13055 1178.232 50.98418 90.29944       69.43108 
1 1 1 5   8  8  f 491.1340 35.88082 6.199631       0.8788574 6.288520       1.229881  6.106877       1.256325  494.9124 49.75959 487.3557 51.70798 7.556671       71.76163 
1 1 1 5   8  9  o 1109.194 33.78182 31.25394       1.896345  31.98519       2.669701  30.50925       2.694141  1122.351 46.98401 1096.036 48.55254 26.31543       67.56364 
1 1 1 5   8  10 o 1597.094 37.80299 64.82299       3.055018  61.96924       4.285562  67.77160       4.356200  1561.268 54.21839 1632.920 52.69376 -71.65210      75.60599 
1 1 1 5   8  11 o 1253.323 43.15003 40.38444       2.592426  41.00417       3.213454  39.22930       4.387215  1269.649 49.99247 1236.997 70.34525 32.65271       86.30006 
1 1 1 5   8  12 o 1030.417 42.42439 26.82565       2.101899  28.52662       3.599527  25.94556       2.589187  1053.112 67.87444 1007.721 50.91539 45.39160       84.84879 
1 1 1 5   8  13 o 1003.955 35.38431 25.76377       1.790561  28.07694       2.555017  23.53130       2.510052  1049.272 48.09745 958.6380 51.91178 90.63422       70.76862 
1 1 1 5   8  14 f 1151.839 36.48285 33.92558       2.126518  33.07574       2.953665  34.84013       3.064073  1136.942 51.31439 1166.736 51.87319 -29.79358      72.96571 
1 1 1 5   8  15 o 1829.956 41.65322 86.47194       3.858950  85.96553       5.450435  86.98093       5.464350  1824.523 59.00626 1835.390 58.80667 -10.86633      83.30644 
1 1 1 5   8  16 o 541.1450 43.00534 7.741933       1.152508  8.303821       1.608107  7.148530       1.652589  562.8223 57.23278 519.4676 64.20473 43.35474       86.01068 
1 1 1 5   8  17 o 501.7910 45.90242 6.770680       1.127046  6.439073       1.684707  7.039314       1.516324  488.2302 70.17479 515.3519 59.19145 -27.12164      91.80484 
1 1 1 5   8  18 o 1398.273 39.13130 51.35301       2.767017  54.44139       3.935654  48.33426       3.891034  1441.110 53.94311 1355.436 56.70252 85.67456       78.26260 
1 1 1 5   8  19 o 269.8339 59.37088 2.079859       0.9213616 1.492798       1.361568  2.575760       1.251397  240.8082 87.02924 298.8596 80.78067 -58.05142      118.7418 
1 1 1 5   8  20 o 363.2360 59.86753 3.954448       1.080756  3.837770       1.526888  4.071595       1.529956  357.1511 85.56748 369.3209 83.75375 -12.16980      119.7351 
1 1 1 5   8  21 o 469.5662 53.50707 6.408171       1.224535  7.214519       1.800703  5.714495       1.670164  499.0694 73.46659 440.0630 77.81186 59.00641       107.0141 
1 1 1 5   8  22 o 296.3290 63.63431 2.845530       1.044781  3.180893       1.479133  2.511604       1.475960  313.8409 88.99599 278.8171 90.97810 35.02374       127.2686 
1 1 1 5   9  0  o 2124.375 42.31538 114.5708       4.550511  112.4624       6.433180  116.6820       6.437611  2104.760 60.37253 2143.989 59.30871 -39.22876      84.63076 
1 1 1 5   9  1  f 978.1801 48.36044 24.44965       2.373349  26.56520       3.368775  22.36485       3.344203  1020.774 65.53297 935.5864 71.13618 85.18738       96.72087 
1 1 1 5   9  2  o 2780.429 72.51649 197.0412       10.20770  195.9482       14.43174  198.1355       14.43999  2772.665 102.8106 2788.193 102.2964 -15.52783      145.0330 
1 1 1 5   9  3  o 3043.915 67.97158 236.9416       9.832841  232.8912       17.09065  238.9458       12.02179  3021.278 111.7337 3066.552 77.43461 -45.27417      135.9432 
1 1 1 5   9  4  o 611.8757 38.28937 9.532834       1.132812  9.427642       1.424201  9.714007       1.869070  608.0363 46.62068 615.7152 60.75208 -7.678955      76.57874 
1 1 1 5   9  5  o 1828.174 40.16198 84.87089       3.717199  84.92262       5.261424  84.81932       5.252414  1828.727 56.82909 1827.621 56.76612 1.106201       80.32396 
1 1 1 5   9  6  f 563.8814 39.41074 7.932147       1.077592  9.103927       1.797037  7.274222       1.346548  595.0730 60.48994 532.6898 50.53508 62.38318       78.82149 
1 1 1 5   9  7  o 1016.918 33.61650 26.28425       1.730667  26.51838       2.452988  26.05219       2.442113  1021.436 47.43519 1012.400 47.64640 9.036621       67.23300 
1 1 1 5   9  8  o 1457.002 36.12504 53.95876       2.664295  55.12585       3.770821  52.79531       3.764951  1472.795 50.57199 1441.209 51.59988 31.58545       72.25008 
1 1 1 5   9  9  o 1176.919 34.82129 35.19031       2.074390  35.89828       2.928623  34.47747       2.938664  1188.848 48.65790 1164.989 49.82467 23.85938       69.64258 
1 1 1 5   9  10 o 603.8722 36.68691 9.360891       1.105990  8.420183       1.561749  10.30730       1.566474  572.7809 54.51423 634.9634 49.11126 -62.18250      73.37382 
1 1 1 5   9  11 o 988.1616 48.99208 25.17583       2.426033  24.11420       3.539295  26.11671       3.331943  967.5759 72.78491 1008.747 65.59919 -41.17145      97.98417 
1 1 1 5   9  12 o 812.6398 53.74267 17.18660       2.171039  17.60571       2.934971  16.68017       3.226288  824.9775 70.96195 800.3021 80.73103 24.67542       107.4853 
1 1 1 5   9  13 o 759.0438 36.10630 14.79279       1.374328  13.25395       1.923587  16.39734       1.964238  718.0629 53.29358 800.0248 48.72836 -81.96198      72.21260 
1 1 1 5   9  14 o 1500.790 38.84106 57.81409       2.950681  57.54708       4.131329  58.09213       4.215737  1497.417 54.49585 1504.163 55.35986 -6.745850      77.68212 
1 1 1 5   9  15 o 387.5144 50.23876 4.040029       0.9460856 3.392359       1.315848  4.733155       1.361241  353.1936 75.85284 421.8352 65.89445 -68.64160      100.4775 
1 1 1 5   9  16 o 532.2976 58.07571 7.784344       1.502903  7.153575       2.199876  8.336407       2.058056  508.4745 88.68147 556.1207 75.01165 -47.64618      116.1514 
1 1 1 5   9  17 f 961.0583 46.74762 24.30668       2.150222  25.52654       3.680461  23.67457       2.649392  972.1933 75.36562 949.9233 55.32976 22.27002       93.49523 
1 1 1 5   9  18 o 520.2121 47.62752 7.349878       1.214669  6.307444       1.684257  8.479701       1.753434  479.0101 71.65231 561.4141 62.76519 -82.40402      95.25504 
1 1 1 5   9  19 o 457.8063 52.57020 5.934160       1.168734  5.168166       1.657771  6.691105       1.647950  424.0964 80.14737 491.5161 68.05073 -67.41977      105.1404 
1 1 1 5   9  20 o 275.3299 58.93221 2.159268       0.9764351 0.9329458      1.351837  3.496977       1.411896  209.9968 83.98390 340.6630 82.69659 -130.6662      117.8644 
1 1 1 5   9  21 o 620.2062 55.88850 11.21648       1.600977  11.75848       2.796083  10.95211       1.952769  615.1858 92.64996 625.2266 62.53064 -10.04083      111.7770 
1 1 1 5   9  22 o 328.4690 75.82106 3.457753       1.324919  5.396748       2.555197  2.744723       1.549494  370.5327 119.6165 286.4053 93.20531 84.12741       151.6421 
1 1 1 5   10 0  f 2302.489 56.95853 136.8896       6.188192  128.7792       10.77896  140.8768       7.557768  2248.971 94.66930 2356.008 63.36263 -107.0366      113.9171 
1 1 1 5   10 1  o 2567.485 68.80725 167.9030       8.942931  170.8033       12.65293  165.0080       12.64151  2589.770 96.50419 2545.200 98.10551 44.56982       137.6145 
1 1 1 5   10 2  o 1369.622 51.59348 47.79655       3.563319  46.30564       5.032592  49.29543       5.046024  1348.012 74.02534 1391.231 71.88740 -43.21863      103.1870 
1 1 1 5   10 3  o 220.2109 83.25216 0.8825998      1.270973  0.8825998      1.270973  0.000000       0.000000  220.2109 83.25216 ?        ?        ?              ?        
1 1 1 5   10 4  o 1622.810 45.91769 67.13660       3.571890  67.53146       4.401377  66.37492       6.113130  1630.960 53.30424 1614.660 74.78233 16.29993       91.83539 
1 1 1 5   10 5  o 600.5716 39.21334 9.403178       1.126009  8.686357       1.845580  9.828220       1.421161  580.6320 63.83800 620.5112 45.55716 -39.87915      78.42668 
1 1 1 5   10 6  o 954.3994 41.97069 23.34454       1.881151  23.05033       3.314799  23.48430       2.284689  947.5549 69.58530 961.2440 46.94722 -13.68909      83.94138 
1 1 1 5   10 7  o 978.9097 43.37401 24.29602       1.960910  24.02393       2.339507  24.93861       3.595323  972.3068 47.52668 985.5126 72.57020 -13.20575      86.74802 
1 1 1 5   10 8  o 748.6766 33.89437 14.28499       1.271722  12.50858       1.765594  16.20024       1.833289  699.8785 50.16195 797.4747 45.59706 -97.59613      67.78874 
1 1 1 5   10 9  o 1080.753 34.73661 29.67474       1.900539  29.38225       2.672119  29.97419       2.703694  1075.367 49.08121 1086.138 49.16871 -10.77087      69.47321 
1 1 1 5   10 10 o 906.5196 41.02682 21.11457       1.796977  21.35081       2.253803  20.70232       2.977238  914.9380 48.83301 898.1011 65.94041 16.83691       82.05365 
1 1 1 5   10 11 o 394.9465 54.97917 4.766168       0.9853941 2.519851       1.714003  5.875164       1.204317  312.3702 97.63162 477.5229 50.58559 -165.1527      109.9583 
1 1 1 5   10 12 o 562.8581 54.17813 8.919488       1.312176  9.791809       1.575006  6.940185       2.372466  617.3091 50.84831 508.4071 95.68452 108.9021       108.3563 
1 1 1 5   10 13 o 981.2866 36.53470 24.69603       1.809311  25.65996       2.539504  23.70232       2.578445  1001.792 50.07119 960.7816 53.21667 41.00989       73.06940 
1 1 1 5   10 14 o 931.0790 36.68893 22.32628       1.722339  21.87197       2.414087  22.79728       2.458018  921.3822 51.96435 940.7759 51.80748 -19.39368      73.37785 
1 1 1 5   10 15 o 765.8602 37.26111 15.19617       1.434395  14.63111       1.973208  15.82938       2.088805  750.8901 52.23056 780.8303 53.15572 -29.94012      74.52222 
1 1 1 5   10 16 o 799.5328 53.72157 17.25195       2.132819  16.79965       3.177724  17.62274       2.877148  786.7291 80.93703 812.3365 70.66275 -25.60742      107.4431 
1 1 1 5   10 17 o 883.1033 62.16580 21.91842       2.675091  23.02095       3.506366  20.38299       4.137880  920.0650 75.95480 846.1415 98.43380 73.92346       124.3316 
1 1 1 5   10 18 o 218.2353 59.38927 1.024122       0.9257234 0.9382278      1.298619  1.112864       1.319983  213.9082 83.29964 222.5624 84.67298 -8.654175      118.7785 
1 1 1 5   10 19 o 654.7271 43.63710 11.76260       1.421751  11.07002       2.067350  12.38410       1.958391  633.2917 65.42309 676.1624 57.76334 -42.87067      87.27419 
1 1 1 5   10 20 o 178.3716 54.14198 -0.4893065E-01 0.9288175 1.005775       1.345995  -1.007725      1.283336  211.5613 84.06332 145.1820 68.25521 66.37932       108.2840 
1 1 1 5   10 21 o 366.5759 78.96139 4.842263       1.633577  5.592836       2.219212  3.954557       2.413444  403.5487 106.9141 329.6031 116.2281 73.94559       157.9228 
1 1 1 5   11 0  o 2360.867 66.05688 141.5687       7.895383  0.000000       0.000000  141.5687       7.895383  ?        ?        2360.867 66.05688 ?              ?        
1 1 1 5   11 1  o 1386.224 51.70819 48.96157       3.617081  46.25755       5.108031  51.68109       5.122649  1346.570 75.22820 1425.878 70.96243 -79.30798      103.4164 
1 1 1 5   11 2  o 834.8665 48.08071 17.81842       2.013290  17.04455       2.795811  18.65195       2.901578  815.8911 68.31364 853.8417 67.67766 -37.95062      96.16142 
1 1 1 5   11 3  o 2480.943 95.85185 157.5502       12.03929  157.5502       12.03929  0.000000       0.000000  2480.943 95.85185 ?        ?        ?              ?        
1 1 1 5   11 4  o 568.2080 46.30012 8.254259       1.320323  0.000000       0.000000  8.254259       1.320323  ?        ?        568.2080 46.30012 ?              ?        
1 1 1 5   11 5  o 2087.760 52.02354 111.1264       5.209312  112.5296       8.953403  110.4083       6.405043  2094.334 84.44198 2081.186 60.78936 13.14893       104.0471 
1 1 1 5   11 6  o 426.3265 54.18021 5.040138       1.011734  4.169599       1.865016  5.403154       1.204347  394.8422 94.54925 457.8107 52.93790 -62.96854      108.3604 
1 1 1 5   11 7  o 1173.559 44.89313 35.84440       2.445129  37.00717       2.959766  33.34516       4.339252  1206.903 48.43970 1140.216 75.59872 66.68689       89.78625 
1 1 1 5   11 8  o 1013.730 33.83104 26.13339       1.730658  24.25897       2.423409  28.08430       2.472366  975.8999 49.20829 1051.561 46.44028 -75.66077      67.66207 
1 1 1 5   11 9  o 1292.294 35.44125 42.46709       2.318660  42.43039       3.292933  42.50319       3.265400  1291.713 50.35391 1292.875 49.88801 -1.162109      70.88251 
1 1 1 5   11 10 o 894.6556 40.58979 20.37881       1.769848  20.01273       2.229528  21.00254       2.910213  885.0989 49.95924 904.2123 63.98592 -19.11334      81.17958 
1 1 1 5   11 11 o 839.7632 48.27505 18.03728       2.043770  0.000000       0.000000  18.03728       2.043770  ?        ?        839.7632 48.27505 ?              ?        
1 1 1 5   11 12 o 907.4978 45.44238 20.63545       1.879658  19.81750       2.211518  22.76399       3.567528  879.4276 49.87677 935.5681 75.97595 -56.14056      90.88475 
1 1 1 5   11 13 o 636.6528 37.85478 10.47048       1.208242  10.79791       1.707131  10.14183       1.710299  646.9178 52.57850 626.3878 54.47421 20.53003       75.70956 
1 1 1 5   11 14 o 558.6238 39.79384 8.126757       1.109320  8.510550       1.598726  7.770400       1.540523  571.5361 55.97014 545.7114 56.58218 25.82465       79.58768 
1 1 1 5   11 15 o 557.0529 39.91339 8.144840       1.110062  8.248905       1.577467  8.042757       1.562371  560.6490 56.33818 553.4567 56.55375 7.192322       79.82679 
1 1 1 5   11 16 f 1102.302 47.66796 32.50269       2.481712  31.78185       4.293260  32.86441       3.041304  1082.411 78.88802 1122.192 53.53146 -39.78040      95.33591 
1 1 1 5   11 17 o 599.3761 59.72120 8.958719       1.496912  8.043904       1.685279  12.37847       3.258384  547.1985 61.92344 651.5537 102.1370 -104.3552      119.4424 
1 1 1 5   11 18 o 349.6332 58.45031 3.662751       1.051309  4.829938       1.438252  2.323595       1.540566  415.7712 70.86905 283.4953 92.96952 132.2759       116.9006 
1 1 1 5   11 19 o 303.9491 58.11771 2.624763       1.106018  0.3602745      1.563567  4.892605       1.564724  199.2377 85.73912 408.6604 78.48235 -209.4227      116.2354 
1 1 1 5   11 20 o 598.5734 48.04607 10.19001       1.425581  9.741161       1.925887  10.73404       2.120252  585.7078 66.10458 611.4389 69.74154 -25.73114      96.09213 
1 1 1 5   11 21 o 299.5713 77.58250 3.192397       1.550993  3.580073       2.131296  2.755965       2.261346  315.3528 109.3493 283.7898 110.0859 31.56299       155.1650 
1 1 1 5   12 0  o 1436.205 49.96967 52.45663       3.629676  54.68116       5.280098  50.46362       4.997801  1464.953 71.19260 1407.458 70.13906 57.49463       99.93935 
1 1 1 5   12 1  o 491.5774 78.64579 6.319726       1.891291  6.319726       1.891291  0.000000       0.000000  491.5774 78.64579 ?        ?        ?              ?        
1 1 1 5   12 2  o 1218.333 66.82115 37.94940       4.105848  0.000000       0.000000  37.94940       4.105848  ?        ?        1218.333 66.82115 ?              ?        
1 1 1 5   12 3  o 2071.855 53.92186 111.0329       5.280001  106.3278       9.205600  113.3397       6.445623  2034.719 89.36429 2108.991 60.36798 -74.27173      107.8437 
1 1 1 5   12 4  o 996.6879 47.41696 25.25902       2.392635  0.000000       0.000000  25.25902       2.392635  ?        ?        996.6879 47.41696 ?              ?        
1 1 1 5   12 5  f 2047.492 41.52563 106.8165       4.304432  106.7144       6.069812  106.9198       6.105113  2046.540 58.58297 2048.444 58.86892 -1.903687      83.05127 
1 1 1 5   12 6  o 2616.867 48.14861 174.7144       6.376183  180.5302       9.014444  168.8913       9.020128  2660.799 66.91805 2572.936 69.24687 87.86328       96.29723 
1 1 1 5   12 7  o 1543.555 37.36395 60.58505       2.917645  57.57172       4.105618  63.65949       4.147039  1504.638 53.89678 1582.472 51.76287 -77.83447      74.72789 
1 1 1 5   12 8  o 673.3907 33.22223 11.57839       1.125501  11.62224       1.595667  11.53498       1.587761  674.6621 47.01049 672.1194 46.95617 2.542725       66.44447 
1 1 1 5   12 9  o 1014.424 34.88486 26.19682       1.791197  26.39799       2.512624  25.98895       2.554156  1018.452 48.73075 1010.396 49.93124 8.056519       69.76973 
1 1 1 5   12 10 o 1363.529 44.42791 48.21510       2.891930  49.42312       3.578652  45.94145       4.909588  1392.078 50.77763 1334.981 72.91769 57.09668       88.85583 
1 1 1 5   12 11 o 663.6677 44.00171 11.74561       1.387195  10.09959       2.242623  12.76570       1.765468  621.9549 72.58741 705.3805 49.75610 -83.42560      88.00342 
1 1 1 5   12 12 o 1392.479 37.51319 49.68130       2.643784  50.55524       3.717006  48.78648       3.761136  1405.122 52.25111 1379.837 53.84032 25.28528       75.02638 
1 1 1 5   12 13 f 1195.408 36.45377 36.70940       2.206167  36.55080       3.121007  36.86780       3.118977  1192.783 51.68322 1198.033 51.42329 -5.249390      72.90755 
1 1 1 5   12 14 o 1434.913 38.32385 53.27785       2.783617  51.96830       3.910301  54.62329       3.963495  1416.856 54.51307 1452.969 53.88131 -36.11292      76.64771 
1 1 1 5   12 15 o 1381.552 46.30325 50.49303       3.069102  50.68771       3.802764  50.12930       5.197872  1395.299 53.83296 1367.804 75.35233 27.49573       92.60649 
1 1 1 5   12 16 f 512.5151 55.54386 7.143708       1.351751  7.774415       2.236515  6.780706       1.696730  525.4802 87.12003 499.5502 68.92447 25.92999       111.0877 
1 1 1 5   12 17 o 681.1979 62.99127 13.34759       1.780418  13.52035       2.056516  12.83067       3.557381  711.9305 57.54939 650.4653 112.0699 61.46521       125.9825 
1 1 1 5   12 18 o 639.2422 45.99551 11.24028       1.445944  9.183704       2.006563  13.46178       2.085466  573.4687 70.60415 705.0156 58.96948 -131.5469      91.99101 
1 1 1 5   12 19 o 352.7202 61.39565 3.738490       1.128449  2.347824       1.504679  5.526051       1.705937  275.6368 91.95238 429.8037 81.37850 -154.1669      122.7913 
1 1 1 5   12 20 o 382.6228 63.83915 4.657983       1.251258  3.151201       1.715475  6.370931       1.829074  307.8477 97.86696 457.3979 81.99883 -149.5503      127.6783 
1 1 1 5   12 21 o 407.6220 72.48347 6.489273       1.551826  4.247590       2.796407  7.486799       1.865414  320.0529 122.8878 495.1911 76.90255 -175.1382      144.9669 
1 1 1 5   13 0  o 706.6868 41.42134 13.08478       1.176846  12.30615       2.560851  13.29325       1.325052  689.6288 74.53289 723.7447 36.16294 -34.11584      82.84268 
1 1 1 5   13 1  o 1075.954 45.11127 29.36888       2.434159  33.47454       3.640096  26.04792       3.273807  1143.701 63.11037 1008.206 64.47626 135.4944       90.22254 
1 1 1 5   13 2  o 2447.276 66.70441 154.3834       8.262735  155.1447       11.82294  153.6566       11.55230  2452.759 95.21100 2441.792 93.44933 10.96631       133.4088 
1 1 1 5   13 3  o 1130.973 65.43330 32.77003       3.730569  0.000000       0.000000  32.77003       3.730569  ?        ?        1130.973 65.43330 ?              ?        
1 1 1 5   13 4  o 1619.569 53.24746 66.74878       4.365982  0.000000       0.000000  66.74878       4.365982  ?        ?        1619.569 53.24746 ?              ?        
1 1 1 5   13 5  o 1700.070 55.27501 73.53789       4.757506  0.000000       0.000000  73.53789       4.757506  ?        ?        1700.070 55.27501 ?              ?        
1 1 1 5   13 6  o 2919.948 53.99987 217.9344       7.980355  224.1317       11.29037  211.7468       11.28149  2961.827 75.29477 2878.070 77.42506 83.75708       107.9997 
1 1 1 5   13 7  o 2402.290 57.40826 146.0455       6.588452  153.1239       11.50847  142.5945       8.035543  2440.656 93.13810 2363.923 67.14261 76.73242       114.8165 
1 1 1 5   13 8  o 380.1447 70.50641 4.017948       1.414461  5.058069       1.840609  2.517760       2.210510  436.0720 86.42648 324.2174 111.4230 111.8546       141.0128 
1 1 1 5   13 9  o 1087.747 49.03418 30.15409       2.700289  30.15409       2.700289  0.000000       0.000000  1087.747 49.03418 ?        ?        ?              ?        
1 1 1 5   13 10 o 1323.372 43.08445 44.05703       2.780867  48.00150       4.682315  41.90751       3.456500  1366.319 67.69005 1280.425 53.32107 85.89417       86.16890 
1 1 1 5   13 11 o 1054.617 35.22343 28.44160       1.880074  28.70761       2.633864  28.16527       2.684510  1059.796 49.08937 1049.438 50.52715 10.35840       70.44685 
1 1 1 5   13 12 o 902.9058 43.26725 19.90893       1.862713  24.93668       3.332487  17.62432       2.246404  979.1313 67.64175 826.6802 53.97050 152.4512       86.53451 
1 1 1 5   13 13 o 214.5997 51.75518 1.058611       0.7169612 0.3763286      1.045977  1.663257       0.9846700 179.8829 73.18159 249.3164 73.20416 -69.43343      103.5104 
1 1 1 5   13 14 o 200.0467 54.47787 0.7586569      0.7806217 0.8795831      1.090721  0.6316733      1.117705  205.3409 77.23627 194.7525 76.84995 10.58838       108.9557 
1 1 1 5   13 15 o 830.8572 45.50941 18.61807       1.803740  19.23727       2.256985  17.52351       3.000783  857.2412 52.25412 804.4732 74.52470 52.76801       91.01881 
1 1 1 5   13 16 o 577.0028 52.37953 9.043638       1.457790  9.727408       2.362437  8.623172       1.852556  590.0142 81.24323 563.9913 66.13620 26.02289       104.7591 
1 1 1 5   13 17 o 361.3802 58.39750 3.910279       1.083449  5.398995       1.503326  2.301312       1.562863  440.4833 69.73476 282.2771 93.69171 158.2062       116.7950 
1 1 1 5   13 18 o 229.4312 61.37376 1.322749       0.9907249 0.9227538      1.425901  1.696074       1.377543  213.1570 85.89739 245.7054 87.68463 -32.54834      122.7475 
1 1 1 5   13 19 o 532.8375 50.45164 8.246051       1.326595  8.151526       1.879131  8.339966       1.873061  529.1472 72.01572 536.5278 70.67678 -7.380615      100.9033 
1 1 1 5   13 20 o 198.7447 60.71132 0.3852040      1.170697  1.203559       1.537610  -0.7434735     1.805762  220.2439 89.04205 177.2455 82.55283 42.99849       121.4226 
1 1 1 5   13 21 o 255.5741 68.67523 2.190768       1.395182  0.1060235      2.301079  3.402686       1.754452  206.1368 95.02429 305.0114 99.17426 -98.87460      137.3505 
1 1 1 5   14 0  o 737.3300 38.62449 13.12829       1.288345  15.75854       2.521420  12.19895       1.498765  783.1102 64.16051 691.5496 43.02132 91.56061       77.24899 
1 1 1 5   14 1  o 753.5817 48.40639 14.76345       1.791964  13.83569       2.758296  15.44098       2.357159  731.3189 75.58972 775.8445 60.48891 -44.52563      96.81278 
1 1 1 5   14 2  o 1599.128 77.54076 65.47990       6.277648  0.000000       0.000000  65.47990       6.277648  ?        ?        1599.128 77.54076 ?              ?        
1 1 1 5   14 3  o 1050.095 74.00928 28.32268       3.909404  0.000000       0.000000  28.32268       3.909404  ?        ?        1050.095 74.00928 ?              ?        
1 1 1 5   14 4  o 946.4557 42.62270 22.95248       1.884597  22.68063       3.351876  23.07814       2.278929  939.9088 70.96299 953.0027 47.23381 -13.09387      85.24540 
1 1 1 5   14 5  o 1324.165 50.62789 44.86300       3.369408  45.40585       4.991087  44.40843       4.567202  1330.935 74.36956 1317.394 68.71609 13.54163       101.2558 
1 1 1 5   14 6  o 266.3833 43.36396 1.857571       0.5687010 1.695504       0.7509621 2.075495       0.8708102 252.9354 59.61866 279.8311 62.98690 -26.89569      86.72793 
1 1 1 5   14 7  o 1504.474 51.57725 57.64172       3.928497  0.000000       0.000000  57.64172       3.928497  ?        ?        1504.474 51.57725 ?              ?        
1 1 1 5   14 8  o 942.5491 49.70318 23.01343       2.330449  23.62013       3.110384  22.23695       3.518778  958.2524 64.48883 926.8458 75.64930 31.40668       99.40636 
1 1 1 5   14 9  o 942.0223 39.96829 22.51873       1.822956  21.84074       2.267186  23.75876       3.066128  923.8718 48.64348 960.1729 63.43240 -36.30115      79.93658 
1 1 1 5   14 10 o 793.3383 40.85994 16.13443       1.580277  16.59888       2.583694  15.85684       1.997468  800.7602 64.27323 785.9164 50.46872 14.84381       81.71989 
1 1 1 5   14 11 o 779.9268 36.07613 15.65132       1.416507  15.94056       2.017338  15.37002       1.989439  787.0943 50.89791 772.7593 51.14050 14.33502       72.15226 
1 1 1 5   14 12 o 991.3038 43.51843 24.87553       2.058015  27.66963       3.609629  23.52982       2.505059  1027.856 69.77933 954.7516 52.02174 73.10431       87.03687 
1 1 1 5   14 13 o 362.5638 70.03500 3.773795       1.182188  3.920223       1.330007  3.222717       2.580166  379.9110 71.77990 345.2166 120.2799 34.69440       140.0700 
1 1 1 5   14 14 o 637.3253 38.71598 10.69306       1.231796  11.81168       1.751776  9.599022       1.732430  671.7419 51.91299 602.9088 57.45217 68.83319       77.43197 
1 1 1 5   14 15 o 411.3639 60.12780 4.745900       1.187880  4.476583       1.518948  5.169963       1.906015  399.6422 77.87286 423.0856 91.63638 -23.44336      120.2556 
1 1 1 5   14 16 o 236.2493 56.96688 1.228363       0.9231502 2.540949       1.320553  -0.2615384E-01 1.291011  296.3047 84.11335 176.1939 76.84951 120.1108       113.9338 
1 1 1 5   14 17 o 175.0724 56.92463 -0.6743942     1.023413  -0.1254998     1.946869  -0.8839871     1.203041  205.8530 91.85448 144.2919 67.26374 61.56114       113.8493 
1 1 1 5   14 18 o 255.6009 74.16668 1.665629       1.359058  1.776554       1.510837  1.195268       3.111122  248.0125 91.36192 263.1894 116.8580 -15.17691      148.3334 
1 1 1 5   14 19 o 310.6236 66.62014 3.202024       1.176238  4.059008       1.658022  2.333722       1.668935  352.6198 91.93114 268.6274 96.44500 83.99234       133.2403 
1 1 1 5   14 20 o 300.4095 67.46468 2.805762       1.448785  -0.1460861     2.072038  5.629300       2.026504  197.7115 90.78139 403.1077 99.82320 -205.3962      134.9294 
1 1 1 5   15 0  f 1186.858 51.82071 36.47173       3.067229  32.63659       4.496054  39.81049       4.195009  1126.383 79.34992 1247.333 66.67184 -120.9500      103.6414 
1 1 1 5   15 1  o 1513.255 53.08677 58.69357       4.050286  57.52728       5.892943  59.73782       5.576118  1497.400 78.00376 1529.109 72.02940 -31.70911      106.1735 
1 1 1 5   15 2  o 656.6485 82.40197 11.21364       2.679064  0.000000       0.000000  11.21364       2.679064  ?        ?        656.6485 82.40197 ?              ?        
1 1 1 5   15 3  o 629.5476 55.74936 10.25686       1.730600  9.887336       2.326282  10.71483       2.589737  617.2686 76.04791 641.8266 81.53942 -24.55798      111.4987 
1 1 1 5   15 4  o 854.7443 43.67206 19.18854       1.721558  17.49852       3.046331  19.98153       2.086724  824.0503 73.80135 885.4384 46.71570 -61.38806      87.34412 
1 1 1 5   15 5  o 1094.593 42.42951 30.51574       2.191120  30.89040       3.861624  30.33784       2.660946  1097.029 69.89332 1092.158 48.12460 4.871460       84.85902 
1 1 1 5   15 6  o 1786.323 39.26951 81.37599       3.551217  80.54012       4.992118  82.23231       5.052791  1777.049 55.48834 1795.598 55.58257 -18.54858      78.53902 
1 1 1 5   15 7  o 616.3492 45.03142 9.787979       1.252427  9.931121       2.328196  9.729690       1.485706  616.6542 76.19601 616.0443 48.01543 0.6098633      90.06284 
1 1 1 5   15 8  o 686.0239 47.17296 12.06225       1.628428  12.06225       1.628428  0.000000       0.000000  686.0239 47.17296 ?        ?        ?              ?        
1 1 1 5   15 9  o 402.4603 43.98875 4.252098       0.8495016 4.235411       1.095953  4.277214       1.344560  402.9670 55.16910 401.9535 68.53036 1.013580       87.97749 
1 1 1 5   15 10 o 1168.780 43.34340 35.17199       2.458434  35.54945       4.087132  34.95799       3.077395  1169.884 69.31586 1167.676 52.05680 2.208130       86.68679 
1 1 1 5   15 11 o 1025.652 42.64436 27.26271       2.129980  27.39738       3.491319  27.18287       2.688211  1024.456 67.69678 1026.849 51.87787 -2.393799      85.28873 
1 1 1 5   15 12 o 439.9819 61.43542 5.347713       1.218006  5.277654       2.235996  5.377273       1.452404  430.8997 103.7418 449.0641 65.83989 -18.16446      122.8708 
1 1 1 5   15 13 o 317.8880 69.62231 2.922657       1.120493  3.149234       1.240283  1.916760       2.613310  337.4128 74.58972 298.3632 117.5816 39.04965       139.2446 
1 1 1 5   15 14 o 261.0709 58.86151 1.811361       0.9330819 2.668808       1.297412  0.8927106      1.342918  306.6908 81.98211 215.4509 84.48457 91.23996       117.7230 
1 1 1 5   15 15 f 446.0243 59.34703 5.349310       1.231695  6.878983       2.170277  4.622531       1.495949  486.6337 91.44804 405.4148 75.66727 81.21887       118.6941 
1 1 1 5   15 16 f 711.4221 41.07335 13.66026       1.464179  14.25890       2.053811  13.04158       2.087934  728.8224 56.09243 694.0219 60.01432 34.80048       82.14669 
1 1 1 5   15 17 o 151.0238 50.04159 -0.9476178     0.9448705 -1.412040      1.541903  -0.6683483     1.195672  154.0950 73.15025 147.9526 68.30581 6.142395       100.0832 
1 1 1 5   15 18 o 290.3466 76.53709 2.193604       1.530844  0.6746159      1.886830  5.119462       2.618678  215.2401 93.40026 365.4531 121.2769 -150.2130      153.0742 
1 1 1 5   15 19 o 321.8466 77.35683 3.776637       1.395911  3.795178       1.545501  3.694525       3.252358  340.5218 88.74712 303.1714 126.7291 37.35040       154.7137 
1 1 1 5   15 20 o 242.2962 94.50932 1.937109       1.673749  1.937109       1.673749  0.000000       0.000000  242.2962 94.50932 ?        ?        ?              ?        
1 1 1 5   16 0  o 1828.307 50.73452 84.86131       4.403658  87.15106       7.750963  83.76992       5.351198  1843.359 83.05429 1813.255 58.29194 30.10425       101.4690 
1 1 1 5   16 1  o 1946.800 53.61470 96.47466       5.284317  0.000000       0.000000  96.47466       5.284317  ?        ?        1946.800 53.61470 ?              ?        
1 1 1 5   16 2  o 1687.039 56.41919 72.94301       4.814636  68.90357       6.745986  77.13678       6.873655  1639.042 81.29648 1735.036 78.25203 -95.99390      112.8384 
1 1 1 5   16 3  o 954.5715 51.69918 23.34519       2.467924  20.50470       3.373945  26.61382       3.619300  891.5566 75.45720 1017.586 70.69250 -126.0297      103.3984 
1 1 1 5   16 4  o 1411.573 54.63454 51.41818       3.879532  54.58045       5.428702  48.11759       5.546157  1457.187 73.82732 1365.958 80.55595 91.22913       109.2691 
1 1 1 5   16 5  o 1119.984 53.73237 32.37481       3.027547  31.47133       4.214296  33.33839       4.352231  1103.811 75.87383 1136.156 76.10408 -32.34497      107.4647 
1 1 1 5   16 6  o 1269.832 35.62929 41.15007       2.289735  41.09006       3.195200  41.21342       3.282930  1269.014 49.73339 1270.651 51.03307 -1.637451      71.25858 
1 1 1 5   16 7  o 350.8343 41.10585 3.226819       0.7013841 2.776342       0.9660470 3.728981       1.019961  323.7872 61.17437 377.8814 54.92230 -54.09421      82.21169 
1 1 1 5   16 8  o 1244.875 50.78076 39.65649       3.200433  39.65649       3.200433  0.000000       0.000000  1244.875 50.78076 ?        ?        ?              ?        
1 1 1 5   16 9  o 1170.235 42.15757 34.81238       2.399106  37.17677       4.024618  33.50909       2.988034  1197.295 66.65995 1143.176 51.62842 54.11938       84.31514 
1 1 1 5   16 10 o 680.1850 36.65190 11.99859       1.246817  10.79682       1.768889  13.18519       1.757694  645.2515 54.66245 715.1185 48.84122 -69.86707      73.30380 
1 1 1 5   16 11 o 615.8274 61.01309 10.85568       1.724213  8.067541       2.714713  12.74091       2.232280  535.6642 103.8519 695.9905 64.07164 -160.3262      122.0262 
1 1 1 5   16 12 o 687.0139 53.66129 12.92075       1.798700  11.31108       2.678962  14.24202       2.427134  642.0956 84.45997 731.9322 66.21668 -89.83661      107.3226 
1 1 1 5   16 13 o 740.9384 60.31326 15.22145       2.093468  15.17532       2.582250  15.30992       3.575880  750.5804 68.71705 731.2962 99.13992 19.28424       120.6265 
1 1 1 5   16 14 f 339.4386 58.73422 3.254712       1.005896  2.557462       1.344076  4.142447       1.516602  297.9285 84.95845 380.9487 81.12272 -83.02023      117.4684 
1 1 1 5   16 15 o 350.0553 76.84676 3.517884       1.324568  0.000000       0.000000  3.517884       1.324568  ?        ?        350.0553 76.84676 ?              ?        
1 1 1 5   16 16 o 545.1748 78.00636 9.766964       2.024897  10.48492       2.591691  8.641945       3.244240  593.3562 89.02143 496.9933 128.1216 96.36285       156.0127 
1 1 1 5   16 17 f 314.2480 75.17876 3.001978       1.728194  5.913184       2.398212  -0.1428647     2.492589  410.0249 112.2482 218.4711 100.0386 191.5537       150.3575 
1 1 1 5   16 18 o 182.6495 61.89175 -0.8577174     1.232464  -0.8784704     1.358831  -0.7614500     2.926611  149.8835 70.39127 215.4155 101.8206 -65.53195      123.7835 
1 1 1 5   16 19 o 235.4720 64.42148 1.711262       1.104720  1.338163       1.607145  2.045448       1.521029  221.7417 90.51843 249.2024 91.68925 -27.46075      128.8430 
1 1 1 5   17 0  o 1623.935 46.41219 66.85798       3.648166  69.49039       6.188157  65.45569       4.516516  1645.859 74.26516 1602.011 55.68707 43.84753       92.82437 
1 1 1 5   17 1  o 2716.845 71.44365 189.2339       9.826799  0.000000       0.000000  189.2339       9.826799  ?        ?        2716.845 71.44365 ?              ?        
1 1 1 5   17 2  o 2214.998 64.56509 126.9523       7.237805  122.6286       10.18989  131.3547       10.28234  2176.313 92.48355 2253.684 90.11880 -77.37085      129.1302 
1 1 1 5   17 3  o 1304.864 54.42394 44.04349       3.571092  47.37434       5.053078  40.71999       5.047502  1355.392 73.91808 1254.336 79.89981 101.0557       108.8479 
1 1 1 5   17 4  o 200.5711 59.62982 -0.2718481     1.152740  1.056604       1.441415  -2.629092      1.920076  234.6445 88.67088 166.4976 79.75172 68.14690       119.2596 
1 1 1 5   17 5  o 498.4152 51.31580 5.728837       1.073774  8.162199       2.350835  5.087318       1.207045  554.2604 86.61092 442.5700 55.06175 111.6903       102.6316 
1 1 1 5   17 6  o 693.8888 35.24078 12.36532       1.227525  12.24750       1.682876  12.49929       1.794456  690.6277 48.43744 697.1498 51.20023 -6.522156      70.48155 
1 1 1 5   17 7  o 318.7542 61.70746 2.301107       0.7487865 2.159454       0.7986613 3.330170       2.152643  285.0473 57.32962 352.4610 109.2912 -67.41370      123.4149 
1 1 1 5   17 8  o 223.0587 46.73668 1.329814       0.5811315 1.653620       0.7581054 0.8684242      0.9049421 248.4015 60.77955 197.7158 71.01488 50.68570       93.47335 
1 1 1 5   17 9  o 937.4058 40.90087 22.52541       1.881096  23.87633       3.061600  21.70616       2.384207  957.5685 63.51361 917.2430 51.55138 40.32556       81.80173 
1 1 1 5   17 10 o 654.5408 52.92263 10.95840       1.447922  10.55974       1.643042  12.34422       3.063342  637.5178 51.34162 671.5637 92.55949 -34.04590      105.8453 
1 1 1 5   17 11 o 372.1080 68.03592 3.572329       1.046557  3.380147       1.147330  4.524420       2.553710  352.6948 66.69820 391.5212 118.6039 -38.82642      136.0718 
1 1 1 5   17 12 o 495.3152 42.35461 6.504927       1.024112  5.207423       1.387505  8.057742       1.517889  438.8368 64.36522 551.7938 55.07059 -112.9570      84.70921 
1 1 1 5   17 13 o 365.4281 58.05986 3.147931       1.078621  6.872627       1.908902  1.400936       1.307327  494.9811 78.81789 235.8751 85.27326 259.1060       116.1197 
1 1 1 5   17 14 o 580.9188 61.21212 9.160330       1.773168  9.160330       1.773168  0.000000       0.000000  580.9188 61.21212 ?        ?        ?              ?        
1 1 1 5   17 15 o 353.5155 82.76336 4.040151       1.648847  3.806008       1.993331  4.547507       2.934237  345.1808 104.8351 361.8503 128.0964 -16.66943      165.5267 
1 1 1 5   17 16 o 200.7255 56.33406 0.6432481      0.9746783 -1.145786      1.616304  1.665587       1.221831  162.3371 76.40755 239.1138 82.80091 -76.77669      112.6681 
1 1 1 5   17 17 o 366.7603 57.41536 4.446254       1.093328  6.326262       1.503962  2.339149       1.592209  466.8353 65.43141 266.6853 94.36538 200.1499       114.8307 
1 1 1 5   17 18 o 199.9850 65.35786 0.2157113      1.188304  0.2778444      1.284296  -0.1539401     3.132561  175.1653 76.51826 224.8046 105.9790 -49.63931      130.7157 
1 1 1 5   17 19 o 196.1569 57.84895 0.5856660      1.076877  1.854736       1.424476  -1.106974      1.645109  235.6158 88.33569 156.6980 74.71820 78.91782       115.6979 
1 1 1 5   18 0  o 1980.222 51.31386 100.4382       4.903205  102.9847       8.340730  99.09339       6.061117  1994.170 82.61488 1966.275 60.88702 27.89490       102.6277 
1 1 1 5   18 1  o 789.1426 47.53310 16.47165       1.707034  15.24126       3.078074  17.01815       2.051400  763.3632 80.87794 814.9219 49.96341 -51.55872      95.06620 
1 1 1 5   18 2  o 1027.759 52.47733 27.36107       2.709566  25.89947       3.749852  28.95799       3.919590  998.7832 74.69905 1056.734 73.72607 -57.95093      104.9547 
1 1 1 5   18 3  o 1196.333 54.37312 37.20409       3.275700  37.12363       4.615550  37.28576       4.649717  1195.108 76.68866 1197.557 77.10120 -2.448853      108.7462 
1 1 1 5   18 4  o 1069.086 52.69550 29.64153       2.829181  27.59059       3.878976  31.97265       4.135460  1029.365 74.94743 1108.807 74.09553 -79.44116      105.3910 
1 1 1 5   18 5  o 613.7450 64.13787 10.08337       1.931237  10.23070       2.691842  9.927097       2.772299  619.2670 88.36552 608.2231 92.98495 11.04388       128.2757 
1 1 1 5   18 6  o 775.0923 48.74553 16.31424       1.713953  14.03444       3.023414  17.39385       2.080567  727.8485 83.56400 822.3361 50.21518 -94.48755      97.49106 
1 1 1 5   18 7  o 969.8745 49.57227 24.19717       2.425965  24.19717       2.425965  0.000000       0.000000  969.8745 49.57227 ?        ?        ?              ?        
1 1 1 5   18 8  o 751.4180 50.61769 14.59317       1.914391  0.000000       0.000000  14.59317       1.914391  ?        ?        751.4180 50.61769 ?              ?        
1 1 1 5   18 9  o 235.4072 47.23131 1.462889       0.5980490 1.087556       0.8167002 1.896858       0.8781807 206.6943 67.68665 264.1201 65.89161 -57.42572      94.46262 
1 1 1 5   18 10 o 690.5698 51.41150 13.05406       1.584968  12.22548       2.901704  13.40639       1.892179  665.0052 88.37627 716.1344 52.55667 -51.12915      102.8230 
1 1 1 5   18 11 o 434.2801 64.29507 5.027135       1.165742  6.118843       2.528643  4.732486       1.313671  450.6576 111.4518 417.9026 64.13980 32.75491       128.5901 
1 1 1 5   18 12 o 536.8480 66.42136 8.575889       1.348125  8.733386       1.501261  7.919884       3.063886  574.0296 52.22942 499.6664 122.1445 74.36322       132.8427 
1 1 1 5   18 13 o 179.2565 51.28492 0.5113270      0.7090523 0.5590743      0.9022525 0.4342155      1.146605  175.1044 69.06271 183.4087 75.83479 -8.304291      102.5698 
1 1 1 5   18 14 o 268.0533 62.25274 2.016934       0.9375923 2.476431       1.610830  1.781499       1.153038  286.9425 95.11282 249.1640 80.34406 37.77853       124.5055 
1 1 1 5   18 15 o 267.0121 59.09601 2.054050       0.9201556 3.024055       1.378798  1.275133       1.235548  313.6871 84.79497 220.3370 82.33570 93.35017       118.1920 
1 1 1 5   18 16 o 151.9801 49.46524 -0.5612106     0.8886681 -1.061951      1.307683  -0.1315154     1.211369  143.2589 67.81887 160.7013 72.02666 -17.44244      98.93048 
1 1 1 5   18 17 o 177.8655 55.28547 0.1873162      0.9680439 -0.2719297     1.321573  0.7189919      1.421975  160.6659 73.29222 195.0652 82.78999 -34.39929      110.5709 
1 1 1 5   18 18 o 365.2819 70.41941 4.706664       1.290653  5.645036       2.196477  4.211804       1.595072  380.7598 108.6168 349.8039 89.65473 30.95590       140.8388 
1 1 1 5   18 19 o 225.0898 69.02261 1.637446       1.416665  2.236382       2.302652  1.272672       1.797009  239.5272 103.5592 210.6524 91.27961 28.87476       138.0452 
1 1 1 5   19 0  o 498.6980 36.75603 6.450502       0.9108963 7.029320       1.288367  5.871981       1.288037  521.8839 49.34768 475.5121 54.48695 46.37177       73.51205 
1 1 1 5   19 1  o 1142.895 46.82001 33.92986       2.466701  33.45361       4.487167  34.13611       2.952906  1131.206 78.84447 1154.584 50.51735 -23.37805      93.64002 
1 1 1 5   19 2  o 791.5924 58.12823 16.60712       2.271943  18.98169       3.210617  14.22544       3.215413  851.6420 75.23804 731.5428 88.62733 120.0992       116.2565 
1 1 1 5   19 3  f 561.5911 67.13614 8.485545       1.826996  6.923193       2.493227  10.29740       2.684936  502.4411 101.5088 620.7410 87.89205 -118.2999      134.2723 
1 1 1 5   19 4  o 239.3129 68.61303 0.5783189      1.265171  0.9414019E-01  1.590432  1.412720       2.087852  204.9713 87.29121 273.6544 105.8831 -68.68304      137.2261 
1 1 1 5   19 5  o 294.4558 71.84116 2.106783       1.398246  3.153011       1.779019  0.4160529      2.261541  339.5146 98.02901 249.3969 105.0472 90.11774       143.6823 
1 1 1 5   19 6  o 348.5045 121.2587 3.157186       2.621899  0.000000       0.000000  3.157186       2.621899  ?        ?        348.5045 121.2587 ?              ?        
1 1 1 5   19 7  o 450.0737 58.22585 5.805172       1.225596  4.373142       1.948189  6.743114       1.576678  394.7840 97.94363 505.3635 62.99238 -110.5794      116.4517 
1 1 1 5   19 8  o 733.8926 52.66316 14.03078       1.943685  0.000000       0.000000  14.03078       1.943685  ?        ?        733.8926 52.66316 ?              ?        
1 1 1 5   19 9  o 897.2274 47.41457 20.84262       1.885576  20.16563       2.189312  22.78735       3.710616  879.9205 49.34421 914.5342 80.97973 -34.61371      94.82915 
1 1 1 5   19 10 o 389.9523 65.73140 5.337348       1.177792  6.085360       1.308182  2.136197       2.706245  478.3470 55.02051 301.5576 119.3952 176.7894       131.4628 
1 1 1 5   19 11 o 209.7318 50.01522 1.094392       0.6838299 1.713488       0.9135102 0.3052907      1.031338  247.4246 69.86201 172.0389 71.59182 75.38574       100.0304 
1 1 1 5   19 12 o 299.2168 52.25528 2.458143       0.8138256 1.486943       1.074091  3.767239       1.247018  232.7450 77.69069 365.6887 69.90431 -132.9437      104.5106 
1 1 1 5   19 13 o 260.2150 66.56522 1.214738       1.073718  3.649220       2.085346  0.3365089      1.252503  336.5807 107.9985 183.8493 77.84624 152.7313       133.1304 
1 1 1 5   19 14 o 455.9949 77.68076 5.973199       1.654028  4.389644       1.941591  10.16319       3.158259  366.6280 101.2593 545.3619 117.8293 -178.7340      155.3615 
1 1 1 5   19 15 o 319.2672 63.06403 3.347951       1.082355  4.001870       1.495345  2.628350       1.568647  356.2232 84.23898 282.3111 93.87268 73.91214       126.1281 
1 1 1 5   19 16 o 355.0944 60.08177 4.092482       1.062738  3.655406       1.425601  4.639193       1.594403  333.7484 84.33642 376.4403 85.59583 -42.69193      120.1635 
1 1 1 5   19 17 o 329.3823 63.64725 3.825563       1.162703  2.427799       1.640686  5.235745       1.647958  260.5439 95.32327 398.2208 84.36446 -137.6769      127.2945 
1 1 1 5   19 18 o 205.7065 64.96908 0.8644099      1.286988  1.327837       2.344627  0.6645648      1.539677  221.7260 99.72727 189.6871 83.29703 32.03893       129.9382 
1 1 1 5   20 0  o 1157.850 36.44453 34.37565       2.130447  30.97397       2.951099  38.07803       3.078770  1097.614 53.10683 1218.086 49.92473 -120.4716      72.88905 
1 1 1 5   20 1  o 644.9321 43.68881 9.468261       1.250683  14.03170       2.592003  8.083357       1.427904  731.0866 70.92197 558.7777 51.03844 172.3089       87.37762 
1 1 1 5   20 2  o 539.3046 59.03057 6.666422       1.215966  9.795102       3.033406  6.067433       1.327270  596.3036 104.2771 482.3056 55.35984 113.9980       118.0611 
1 1 1 5   20 3  f 1575.580 57.91825 65.57607       4.603941  65.16058       6.483908  65.99856       6.538345  1570.599 81.82632 1580.562 81.99114 -9.962402      115.8365 
1 1 1 5   20 4  o 882.4066 56.68535 20.81049       2.484609  22.08309       3.391921  19.33706       3.649765  915.0207 73.84936 849.7925 86.01853 65.22815       113.3707 
1 1 1 5   20 5  o 793.4998 59.98427 16.93755       2.369975  17.04517       3.290510  16.82155       3.416333  797.2621 82.72700 789.7375 86.88322 7.524536       119.9685 
1 1 1 5   20 6  o 208.0233 88.49684 0.1977724      1.631512  0.1977724      1.631512  0.000000       0.000000  208.0233 88.49684 ?        ?        ?              ?        
1 1 1 5   20 7  f 175.8872 56.05908 0.1327517      0.6880531 0.3404015      0.7153735 -2.431132      2.513716  153.3605 61.17500 198.4138 93.95798 -45.05333      112.1182 
1 1 1 5   20 8  o 931.7772 48.78491 23.83550       2.065161  21.89583       3.720737  24.69911       2.482693  891.4595 83.41064 972.0949 50.62149 -80.63544      97.56982 
1 1 1 5   20 9  o 518.3398 75.25703 7.907504       1.889976  7.092774       2.468073  9.062638       2.938784  488.2244 103.0866 548.4553 109.6706 -60.23093      150.5141 
1 1 1 5   20 10 o 714.4697 49.37470 13.42934       1.582138  12.69446       1.850180  15.42880       3.051852  690.9118 53.30622 738.0276 83.12576 -47.11578      98.74940 
1 1 1 5   20 11 o 519.3380 64.97770 7.503507       1.317512  7.183007       1.464698  8.862069       3.015601  514.9515 57.14581 523.7246 116.7166 -8.773132      129.9554 
1 1 1 5   20 12 o 324.8745 67.35027 3.550913       1.091536  3.846436       1.184437  1.885678       2.811606  369.3575 65.75056 280.3915 117.5632 88.96594       134.7005 
1 1 1 5   20 13 o 330.8344 66.95878 3.830101       1.231579  2.055735       2.386439  4.474223       1.437847  271.8039 110.5540 389.8649 75.57589 -118.0610      133.9176 
1 1 1 5   20 14 o 234.9051 65.89545 1.478815       1.023109  1.517760       1.135256  1.310397       2.360799  226.9614 79.74419 242.8488 104.9272 -15.88739      131.7909 
1 1 1 5   20 15 o 245.3321 61.97923 1.953731       0.9596226 1.865469       1.234096  2.088718       1.526191  240.5987 83.22110 250.0655 91.86918 -9.466736      123.9585 
1 1 1 5   20 16 o 334.9615 64.17173 3.934052       1.112050  3.767358       1.507352  4.133137       1.647301  329.4764 88.49086 340.4465 92.95919 -10.97003      128.3435 
1 1 1 5   20 17 o 367.1048 64.05573 4.764906       1.171766  4.427591       1.536482  5.233799       1.811534  356.9595 86.03172 377.2501 94.92674 -20.29056      128.1115 
1 1 1 5   21 0  o 806.3451 36.24952 16.84162       1.469691  16.98575       2.027277  16.68195       2.133721  810.5533 49.64157 802.1369 52.83773 8.416382       72.49904 
1 1 1 5   21 1  o 366.8881 42.13192 3.612316       0.7476969 3.897251       1.012312  3.270283       1.109112  384.9367 53.38159 348.8395 65.19816 36.09720       84.26384 
1 1 1 5   21 2  o 230.2070 63.68066 0.9114208      0.7213342 1.103321       2.332499  0.8911270      0.7585171 269.1039 109.3588 191.3101 65.28057 77.79381       127.3613 
1 1 1 5   21 3  o 506.7979 68.01265 7.420542       1.664235  10.64381       2.357984  4.221223       2.349208  630.0948 75.41682 383.5008 113.2042 246.5940       136.0253 
1 1 1 5   21 4  o 336.7979 71.48005 3.088249       1.480305  0.9037464      2.172512  4.981425       2.022466  254.8490 104.7758 418.7468 97.26054 -163.8977      142.9601 
1 1 1 5   21 5  o 194.7979 62.15136 -0.7005976     1.308780  -1.284876      1.951946  -0.2233809     1.764071  187.8680 86.92320 201.7277 88.85677 -13.85970      124.3027 
1 1 1 5   21 6  o 266.6568 98.95145 1.733624       1.778429  1.733624       1.778429  0.000000       0.000000  266.6568 98.95145 ?        ?        ?              ?        
1 1 1 5   21 7  o 259.3852 64.57000 1.204518       0.5186871 1.143967       0.5295141 2.639930       2.578141  205.1181 51.16183 313.6523 118.5732 -108.5342      129.1400 
1 1 1 5   21 8  o 383.3652 47.94339 3.992466       0.8888505 3.282576       1.174092  4.945588       1.360444  342.2947 70.10963 424.4357 65.41339 -82.14099      95.88677 
1 1 1 5   21 9  o 239.2995 63.09426 1.383972       0.7522632 1.440873       0.7896710 0.8257241      2.473445  227.1270 65.23358 251.4720 108.0191 -24.34499      126.1885 
1 1 1 5   21 10 o 485.6206 43.45090 6.455885       1.039820  6.163952       1.395824  6.819910       1.558671  474.4248 59.41703 496.8164 63.41562 -22.39163      86.90181 
1 1 1 5   21 11 o 203.5050 51.24983 1.025536       0.7318659 1.650240       0.9371347 0.4884277E-01  1.171774  239.0837 71.71867 167.9264 73.22986 71.15736       102.4997 
1 1 1 5   21 12 o 189.3861 53.36210 0.5575731      0.7109796 0.2312077      0.8405995 1.377873       1.332672  152.2986 64.09077 226.4736 85.33715 -74.17497      106.7242 
1 1 1 5   21 13 o 287.1766 86.70845 2.658622       1.366533  0.000000       0.000000  2.658622       1.366533  ?        ?        287.1766 86.70845 ?              ?        
1 1 1 5   21 14 o 245.3790 72.64757 0.8090755      1.072118  0.1851737      1.150160  4.944080       2.960998  164.4037 72.09881 326.3543 126.1445 -161.9506      145.2951 
1 1 1 5   21 15 o 166.5149 51.45419 0.3205193      0.7963069 0.3552458      0.9890025 0.2565110      1.342719  160.1113 68.52659 172.9186 76.77396 -12.80734      102.9084 
1 1 1 5   21 16 f 333.5698 76.62143 4.773022       1.470928  4.846998       2.542788  4.735818       1.803263  315.0958 118.0441 352.0438 97.71882 -36.94797      153.2429 
1 1 1 5   21 17 o 294.9783 63.91801 3.221114       1.052542  2.289792       1.348096  4.675284       1.684529  244.3880 86.79258 345.5687 93.85679 -101.1807      127.8360 
1 1 1 5   22 0  o 736.9904 53.65266 14.71976       1.768018  14.49163       3.282007  14.81303       2.098544  722.4189 91.80961 751.5618 55.54664 -29.14288      107.3053 
1 1 1 5   22 1  o 504.0554 70.51302 6.815462       1.215497  6.663122       1.302600  7.841626       3.380743  503.7057 51.81914 504.4052 131.1607 -0.6994934     141.0260 
1 1 1 5   22 2  o 504.6390 76.85364 7.339947       1.911584  9.658904       2.878888  5.511266       2.556509  580.3343 101.6924 428.9437 115.2588 151.3906       153.7073 
1 1 1 5   22 3  o 262.2544 72.74167 1.366956       1.396064  0.9418242      1.823896  1.968421       2.169419  238.7127 96.81335 285.7961 108.5936 -47.08337      145.4833 
1 1 1 5   22 4  o 751.4297 58.09275 15.66263       2.168744  16.37469       3.029866  14.91448       3.105674  771.7542 78.64520 731.1051 85.52194 40.64911       116.1855 
1 1 1 5   22 5  o 401.2884 114.9822 4.996680       2.456003  4.996680       2.456003  0.000000       0.000000  401.2884 114.9822 ?        ?        ?              ?        
1 1 1 5   22 6  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 5   22 7  o 168.3930 56.44094 -0.3040496     0.1836433 -0.3212287     0.1842566 2.263872       2.252751  48.56322 23.61075 288.2229 110.3850 -239.6597      112.8819 
1 1 1 5   22 8  o 306.2191 54.66533 3.447647       1.015235  4.569341       1.140417  -0.8367175     2.228793  409.3655 56.53488 203.0728 93.57884 206.2927       109.3307 
1 1 1 5   22 9  o 293.9471 68.81611 1.955384       0.8148385 1.726648       0.8589768 4.011060       2.575084  245.2793 67.19046 342.6149 120.1169 -97.33562      137.6322 
1 1 1 5   22 10 o 394.6689 51.80494 4.654801       0.9722134 5.186396       1.271595  3.906816       1.508360  431.5925 59.80278 357.7452 84.60873 73.84729       103.6099 
1 1 1 5   22 11 o 228.6450 54.60440 1.516245       0.7376418 1.501072       0.9364476 1.541051       1.197361  226.5080 72.33965 230.7819 81.81403 -4.273819      109.2088 
1 1 1 5   22 12 o 328.9956 59.04697 3.085258       0.9557813 2.187015       1.159056  4.994018       1.689597  263.4927 79.92208 394.4986 86.94044 -131.0059      118.0939 
1 1 1 5   22 13 o 313.8285 126.2988 4.735929       3.078261  0.000000       0.000000  4.735929       3.078261  ?        ?        313.8285 126.2988 ?              ?        
1 1 1 5   22 14 o 370.5297 75.12437 5.442597       1.314408  5.283408       1.430133  6.308515       3.335474  409.7187 71.54931 331.3408 132.1188 78.37787       150.2487 
1 1 1 5   22 15 o 295.8884 63.38243 3.174484       1.035487  2.516046       1.367890  4.058213       1.584722  261.2677 87.67232 330.5091 91.55816 -69.24146      126.7649 
1 1 1 5   22 16 o 207.6552 59.41738 1.225792       1.009683  0.2519469      1.333886  2.532457       1.545098  165.8569 74.85104 249.4534 92.29854 -83.59641      118.8348 
1 1 1 5   23 0  o 650.0391 85.11216 13.79463       2.593473  16.80715       3.398645  9.594866       4.012852  769.6292 88.85801 530.4491 145.1915 239.1801       170.2243 
1 1 1 5   23 1  o 445.4799 40.99173 5.286806       0.8957122 4.540160       1.206129  6.204943       1.337487  409.3821 59.97282 481.5776 55.89764 -72.19547      81.98345 
1 1 1 5   23 2  o 330.8059 65.64665 3.366235       0.9567815 2.365090       2.588298  3.524690       1.029718  301.4947 117.5470 360.1171 58.48617 -58.62241      131.2933 
1 1 1 5   23 3  o 400.7028 69.98518 5.099898       1.640413  8.102361       2.217721  1.472472       2.437628  531.5142 85.30040 269.8913 110.9754 261.6229       139.9704 
1 1 1 5   23 4  o 549.2477 92.26342 8.872885       2.474589  8.872885       2.474589  0.000000       0.000000  549.2477 92.26342 ?        ?        ?              ?        
1 1 1 5   23 5  o 315.2250 114.9427 3.049987       2.382693  3.049987       2.382693  0.000000       0.000000  315.2250 114.9427 ?        ?        ?              ?        
1 1 1 5   23 6  o 444.2623 122.6832 6.743520       2.850329  0.000000       0.000000  6.743520       2.850329  ?        ?        444.2623 122.6832 ?              ?        
1 1 1 5   23 7  o 321.2648 76.38740 2.623743       1.555888  0.8000140      1.937697  5.933526       2.610390  227.2663 96.55799 415.2633 118.3921 -187.9970      152.7748 
1 1 1 5   23 8  o 203.0059 57.62002 0.4590679      0.4600156 0.3560509      0.4731300 2.240440       1.967448  132.7824 50.65094 273.2294 103.5121 -140.4470      115.2400 
1 1 1 5   23 9  o 374.3836 64.27119 4.871526       1.067901  5.195611       1.188630  3.514882       2.431926  433.2479 55.46422 315.5192 115.9606 117.7287       128.5424 
1 1 1 5   23 10 o 253.2156 48.34174 1.187172       0.6023343 0.4958380      0.6785734 3.755601       1.307936  154.4823 60.19884 351.9489 75.65575 -197.4665      96.68347 
1 1 1 5   23 11 o 157.8983 62.96860 0.5039838      0.7577542 0.5039838      0.7577542 0.000000       0.000000  157.8983 62.96860 ?        ?        ?              ?        
1 1 1 5   23 12 o 323.7871 57.42722 3.513511       0.9196995 3.594587       1.145100  3.366162       1.543736  341.4187 68.62820 306.1555 92.09621 35.26321       114.8544 
1 1 1 5   23 13 o 264.1467 59.95402 2.429508       0.8851457 2.194288       1.112198  2.835882       1.461866  253.0918 78.57098 275.2017 90.57890 -22.10991      119.9080 
1 1 1 5   23 14 o 239.1087 63.13087 2.312584       1.114094  2.719848       1.192737  -0.4738313     3.119818  277.6272 80.29786 200.5902 97.43860 77.03699       126.2617 
1 1 1 5   23 15 o 301.7079 65.79961 3.578614       1.100575  2.859747       1.429613  4.624514       1.724405  267.3147 89.62888 336.1012 96.35883 -68.78650      131.5992 
1 1 1 5   24 0  o 228.0553 70.35484 0.5578746      0.6541684 0.4970747      0.6668652 2.109096       3.368399  156.7480 60.05202 299.3625 127.2516 -142.6145      140.7097 
1 1 1 5   24 1  o 155.4379 42.81717 0.4208738      0.4672657 0.3001537      0.5791020 0.6461110      0.7910163 138.0438 55.04851 172.8319 65.59651 -34.78812      85.63435 
1 1 1 5   24 2  o 202.2901 45.19083 1.066446       0.5134775 0.8182691      0.6592201 1.449299       0.8187768 178.0587 60.85735 226.5215 66.82234 -48.46286      90.38165 
1 1 1 5   24 3  o 242.4435 62.15311 1.287887       0.7933007 2.452451       1.895647  1.040636       0.8734643 285.3955 102.7531 199.4914 69.95599 85.90408       124.3062 
1 1 1 5   24 4  o 152.0339 73.82909 -2.424954      1.787418  -2.424954      1.787418  0.000000       0.000000  152.0339 73.82909 ?        ?        ?              ?        
1 1 1 5   24 5  f 510.4890 104.8576 8.426421       2.619321  0.000000       0.000000  8.426421       2.619321  ?        ?        510.4890 104.8576 ?              ?        
1 1 1 5   24 6  o 424.3123 79.45075 6.115839       1.728628  5.253737       2.294613  7.247146       2.628576  390.1523 110.9198 458.4722 113.7826 -68.31989      158.9015 
1 1 1 5   24 7  o 255.1876 54.40618 2.240411       0.6396932 2.430268       0.6587592 -0.8978214     2.678278  299.0338 44.90031 211.3414 99.11655 87.69237       108.8124 
1 1 1 5   24 8  f 217.9056 60.38301 0.8510703      0.4814224 0.7906704      0.4920807 2.200231       2.325679  169.0652 52.22571 266.7461 108.8894 -97.68091      120.7660 
1 1 1 5   24 9  o 257.7875 65.09879 1.435817       0.7882780 1.063967       0.8456990 3.898510       2.176391  194.7117 68.78676 320.8632 110.5432 -126.1514      130.1976 
1 1 1 5   24 10 f 277.2585 54.09425 3.011588       0.8078403 3.395820       0.8600837 0.1339409      2.353761  347.2679 50.39227 207.2491 95.73595 140.0188       108.1885 
1 1 1 5   24 11 o 464.0646 55.78336 6.446972       0.9941318 6.092768       1.102692  7.984807       2.297641  465.7807 47.42305 462.3485 100.9861 3.432220       111.5667 
1 1 1 5   24 12 o 288.7243 62.98829 3.059324       0.9917048 2.699632       1.262154  3.639667       1.603204  273.0830 83.52321 304.3655 94.30786 -31.28247      125.9766 
1 1 1 5   24 13 o 180.5126 49.14352 0.6690438      0.8394420 1.855095       0.9887977 -2.391721      1.588439  231.3813 74.38043 129.6438 64.24870 101.7375       98.28705 
1 1 1 5   24 14 o 132.6162 44.37989 -0.4282249     0.7071288 -0.3781387     0.8258641 -0.5658174     1.368822  119.6127 55.74967 145.6198 69.06715 -26.00711      88.75977 
1 1 1 5   24 15 o 203.8145 59.11525 1.353654       0.9915223 0.3509179      1.259310  2.989182       1.608304  158.4930 72.00768 249.1361 93.77283 -90.64319      118.2305 
1 1 1 5   25 0  o 217.4106 69.55082 0.4361896      0.6827220 0.3762701      0.6960184 1.959681       3.509594  149.8973 60.15093 284.9239 125.4238 -135.0267      139.1016 
1 1 1 5   25 1  o 272.3978 50.10445 2.068677       0.6846745 1.639562       0.8612204 2.805741       1.128703  237.2612 68.11915 307.5345 73.49561 -70.27325      100.2089 
1 1 1 5   25 2  o 151.5859 39.35786 0.1111922      0.3978376 -0.2878683     0.4623687 1.249026       0.7807438 93.65591 42.95906 209.5159 65.95971 -115.8599      78.71571 
1 1 1 5   25 3  o 275.7393 103.9466 2.411326       1.977756  2.411326       1.977756  0.000000       0.000000  275.7393 103.9466 ?        ?        ?              ?        
1 1 1 5   25 4  o 475.3558 74.26361 7.638700       1.764619  5.566370       2.431581  9.944403       2.564844  391.4799 115.0619 559.2317 93.92062 -167.7518      148.5272 
1 1 1 5   25 5  o 151.6126 58.15754 0.4980220      0.6259436 0.000000       0.000000  0.4980220      0.6259436 ?        ?        151.6126 58.15754 ?              ?        
1 1 1 5   25 6  o 146.3105 50.73339 -2.582439      1.236150  -3.111263      1.619797  -1.844922      1.912894  130.1434 64.56287 162.4777 78.27606 -32.33435      101.4668 
1 1 1 5   25 7  o 203.6883 57.02103 1.117312       0.7044408 1.307189       0.7275467 -1.730419      2.817568  210.3992 63.20952 196.9774 94.92181 13.42183       114.0421 
1 1 1 5   25 8  o 331.5045 70.68185 3.503649       0.9987997 3.278416       1.066541  5.109645       2.847965  329.7483 66.18722 333.2607 124.9118 -3.512329      141.3637 
1 1 1 5   25 9  o 309.1920 55.55774 3.964949       0.8426865 4.335680       0.8976532 1.212902       2.445724  394.2793 45.82449 224.1047 101.2263 170.1746       111.1155 
1 1 1 5   25 10 o 358.1309 62.74949 4.918397       0.8975156 4.969563       0.9573045 4.546736       2.580067  419.6978 45.79697 296.5640 116.8445 123.1339       125.4990 
1 1 1 5   25 11 o 218.2556 65.30505 1.553829       0.7777452 1.553829       0.7777452 0.000000       0.000000  218.2556 65.30505 ?        ?        ?              ?        
1 1 1 5   25 12 o 301.4036 61.13069 3.262747       0.9007173 2.929919       1.046996  4.210487       1.766770  293.8840 71.13428 308.9232 99.43722 -15.03928      122.2614 
1 1 1 5   25 13 o 288.2916 60.44213 3.429883       0.9338310 3.495801       1.070716  3.220392       1.908781  323.5193 67.55262 253.0639 100.2479 70.45535       120.8843 
1 1 1 5   25 14 o 215.3412 61.20237 1.974857       0.9557313 1.726042       1.126248  2.615042       1.806542  206.8580 78.32919 223.8244 94.06091 -16.96646      122.4047 
1 1 1 5   26 0  o 185.0078 54.30631 0.5072758      0.9233285 -5.349405      2.683986  1.293425       0.9833475 158.4197 79.29325 211.5958 74.22453 -53.17604      108.6126 
1 1 1 5   26 1  f 199.4782 58.88858 0.9086200      0.7235251 1.069816       0.7462021 -1.623241      2.957329  194.0212 64.75553 204.9352 98.37775 -10.91396      117.7772 
1 1 1 5   26 2  o 189.0090 48.81138 0.9552178      0.5884226 0.9772594      0.7190831 0.9105462      1.023704  186.8330 63.56194 191.1851 74.09509 -4.352142      97.62276 
1 1 1 5   26 3  o 213.2161 50.60197 1.287989       0.6257585 1.082575       0.7830995 1.650845       1.040805  194.6853 66.33045 231.7470 76.43632 -37.06169      101.2039 
1 1 1 5   26 4  o 222.8595 97.26973 1.029099       2.071403  0.000000       0.000000  1.029099       2.071403  ?        ?        222.8595 97.26973 ?              ?        
1 1 1 5   26 5  f 148.3312 47.33140 0.2166799      0.5283670 -3.456242      2.308471  0.4197299      0.5427755 157.0191 77.75050 139.6432 53.99911 17.37590       94.66280 
1 1 1 5   26 6  o 328.8127 76.48279 4.500497       1.630952  6.057847       2.198125  2.593020       2.432702  396.8859 106.9722 260.7396 109.3408 136.1463       152.9656 
1 1 1 5   26 7  o 268.0603 58.02763 2.679428       0.7412931 2.800300       0.7651203 0.8289140      2.993724  312.8494 49.99000 223.2712 104.7369 89.57819       116.0553 
1 1 1 5   26 8  o 258.4222 69.48685 1.998075       0.8225525 1.808098       0.8519675 4.607647       3.157601  236.0230 67.74890 280.8215 121.3416 -44.79857      138.9737 
1 1 1 5   26 9  o 161.6276 55.68042 -1.640827      1.476875  -3.200381      2.062616  -0.8065074E-04 2.115625  140.8066 70.33293 182.4487 86.33953 -41.64206      111.3608 
1 1 1 5   26 10 o 288.7135 58.87377 2.615042       0.8313720 2.615042       0.8313720 0.000000       0.000000  288.7135 58.87377 ?        ?        ?              ?        
1 1 1 5   26 11 o 216.4659 65.44852 1.184337       0.6958372 0.9863667      0.7150162 4.726811       3.024612  175.6348 63.12007 257.2971 114.6730 -81.66228      130.8970 
1 1 1 5   26 12 o 196.2287 65.08305 0.5564165      0.7263640 0.2906500      0.7452886 5.591163       3.243868  136.2719 58.91672 256.1855 116.0691 -119.9136      130.1661 
1 1 1 5   26 13 o 280.8529 62.63722 3.651306       0.9646534 3.514563       1.076645  4.207925       2.172192  311.7942 69.92950 249.9116 103.9401 61.88255       125.2744 
1 1 1 5   27 0  o 180.3063 90.11393 -4.758394      3.407938  0.000000       0.000000  -4.758394      3.407938  ?        ?        180.3063 90.11393 ?              ?        
1 1 1 5   27 1  o 303.0148 65.41332 3.797114       1.134539  4.115979       1.194092  0.8374278      3.637951  368.3810 66.47187 237.6486 112.6814 130.7323       130.8266 
1 1 1 5   27 2  o 292.5795 74.30341 2.234132       1.113054  6.394131       2.752312  1.420762       1.217012  370.9243 124.3620 214.2347 81.35160 156.6896       148.6068 
1 1 1 5   27 3  o 217.9915 75.55209 1.523244       1.017371  0.000000       0.000000  1.523244       1.017371  ?        ?        217.9915 75.55209 ?              ?        
1 1 1 5   27 4  o 184.1048 86.42826 -0.2661878     2.045031  0.000000       0.000000  -0.2661878     2.045031  ?        ?        184.1048 86.42826 ?              ?        
1 1 1 5   27 5  o 190.9077 58.02334 0.8663773      0.6575292 0.3561237      2.786129  0.8964728      0.6766424 207.2983 98.38411 174.5171 61.54185 32.78120       116.0467 
1 1 1 5   27 6  o 228.8846 51.55938 1.851195       0.7152387 1.182497       1.138035  2.287773       0.9195413 194.0558 77.23721 263.7133 68.32198 -69.65755      103.1188 
1 1 1 5   27 7  o 411.2785 68.86835 7.073566       1.059635  7.008227       1.122106  7.611841       3.220681  494.9379 45.28348 327.6191 130.0800 167.3188       137.7367 
1 1 1 5   27 8  o 173.0283 57.91870 0.3283704      0.5636432 0.2410095      0.5750669 2.461924       2.841919  125.3307 52.89033 220.7259 103.0578 -95.39523      115.8374 
1 1 1 5   27 9  o 134.2269 46.44881 -0.3435495     0.6643749 -0.1842002     0.6925474 -2.183453      2.353272  114.5075 52.54274 153.9462 76.61088 -39.43869      92.89761 
1 1 1 5   27 10 o 161.4472 59.24366 0.8138140      0.6344147 0.8138140      0.6344147 0.000000       0.000000  161.4472 59.24366 ?        ?        ?              ?        
1 1 1 5   27 11 o 244.1628 67.43412 2.772723       1.044853  2.370404       1.148866  4.697648       2.512987  237.4555 80.34408 250.8701 108.3248 -13.41460      134.8682 
1 1 1 5   27 12 o 215.7128 57.07209 2.249523       0.8402773 2.272939       0.8684425 1.905976       3.326380  246.2569 67.60159 185.1686 91.97239 61.08829       114.1442 
1 1 1 5   28 0  o 227.1394 82.06328 1.866405       1.210478  0.000000       0.000000  1.866405       1.210478  ?        ?        227.1394 82.06328 ?              ?        
1 1 1 5   28 1  o 138.6719 60.14883 0.2034735      0.7818427 0.2034735      0.7818427 0.000000       0.000000  138.6719 60.14883 ?        ?        ?              ?        
1 1 1 5   28 2  o 192.0237 93.60423 -0.5080687     2.949147  -0.5080687     2.949147  0.000000       0.000000  192.0237 93.60423 ?        ?        ?              ?        
1 1 1 5   28 3  o 276.7104 77.06181 2.739260       1.119514  0.000000       0.000000  2.739260       1.119514  ?        ?        276.7104 77.06181 ?              ?        
1 1 1 5   28 4  o 198.5046 50.94920 1.351876       0.6583396 1.226344       0.8866497 1.506119       0.9828264 191.0079 70.04569 206.0014 74.00598 -14.99353      101.8984 
1 1 1 5   28 5  o 280.0565 57.51407 3.770792       1.072910  4.396798       1.193578  1.135932       2.448729  362.9300 67.44234 197.1830 93.18264 165.7470       115.0281 
1 1 1 5   28 6  o 144.3111 44.16661 0.3813342      0.5843307 0.2183039      0.9777740 0.4719061      0.7287877 144.4845 64.73771 144.1378 60.09815 0.3466187      88.33323 
1 1 1 5   28 7  o 228.4425 57.53667 2.365278       0.8814147 2.513799       0.9209286 0.7451065      3.041672  267.4611 67.89288 189.4240 92.91087 78.03714       115.0733 
1 1 1 5   28 8  f 219.3941 62.35600 2.387828       1.107791  2.545540       1.189108  1.351597       3.048019  246.0835 81.72651 192.7047 94.20116 53.37878       124.7120 
1 1 1 5   28 9  o 100.6944 48.88071 -0.8529629     0.7816495 -0.8529629     0.7816495 0.000000       0.000000  100.6944 48.88071 ?        ?        ?              ?        
1 1 1 5   28 10 o 181.4633 52.29948 1.344766       0.7356308 1.478733       0.7714025 -0.3119039E-04 2.444049  198.1752 65.82577 164.7515 81.28906 33.42372       104.5990 
1 1 1 5   29 0  o 188.1021 53.79434 1.221285       0.7620943 0.9888623      0.9418358 1.662038       1.296982  173.8029 69.89092 202.4013 81.79599 -28.59842      107.5887 
1 1 1 5   29 1  o 185.3413 63.41114 0.2367415      1.090044  4.422915       3.192064  -0.3158588     1.159761  233.8298 109.1916 136.8528 64.50651 96.97699       126.8223 
1 1 1 5   29 2  o 170.7020 68.73779 0.9511560      0.9123666 0.9511560      0.9123666 0.000000       0.000000  170.7020 68.73779 ?        ?        ?              ?        
1 1 1 5   29 3  o 153.2647 67.21095 0.5147798      0.9994042 0.000000       0.000000  0.5147798      0.9994042 ?        ?        153.2647 67.21095 ?              ?        
1 1 1 5   29 4  o 203.9715 64.35284 0.5897469      0.8176544 -0.1177093E-01 0.8620353 5.984399       2.581562  128.7733 58.91615 279.1697 114.4292 -150.3964      128.7057 
1 1 1 5   29 5  o 180.3752 87.36036 0.8822090      2.460393  0.8822090      2.460393  0.000000       0.000000  180.3752 87.36036 ?        ?        ?              ?        
1 1 1 5   29 6  o 144.8398 49.26934 -0.1094546E-01 0.8373732 0.2047408      0.8823737 -1.965190      2.656016  135.7448 61.10534 153.9348 77.30466 -18.18994      98.53869 
1 1 1 5   29 7  o 178.4546 47.52385 1.148474       0.6651108 1.829391       0.8757042 0.2201770      1.022478  216.3717 70.04411 140.5375 64.24864 75.83423       95.04770 
1 1 1 5   29 8  o 187.0894 61.18885 0.9752600      0.7280550 0.6923954      0.7492450 5.764947       3.083104  148.9874 61.42433 225.1915 105.8459 -76.20419      122.3777 
1 1 1 5   29 9  o 145.4584 65.61684 0.5571312      1.023784  0.5571312      1.023784  0.000000       0.000000  145.4584 65.61684 ?        ?        ?              ?        
1 1 1 5   30 0  o 159.0229 50.07658 0.5755696      0.7477493 0.1792294      0.8953204 1.489521       1.359584  133.9269 60.79621 184.1190 79.58942 -50.19211      100.1532 
1 1 1 5   30 1  o 225.0769 109.7675 7.611166       4.068996  0.000000       0.000000  7.611166       4.068996  ?        ?        225.0769 109.7675 ?              ?        
1 1 1 5   30 2  o 151.2878 49.87042 0.4384084      0.8260309 0.7192864      0.8565162 -3.297982      3.123941  153.0267 64.56166 149.5487 76.02649 3.478012       99.74084 
1 1 1 5   30 3  o 141.7789 44.70200 0.4045559      0.6531673 0.5480921      0.8549427 0.2033184      1.012304  145.2631 62.95277 138.2948 63.48246 6.968262       89.40400 
1 1 1 5   30 4  o 154.2046 47.13758 0.7318531      0.6852239 0.9763088      0.9249669 0.4345209      1.020110  163.7189 67.93684 144.6903 65.36356 19.02859       94.27517 
1 1 1 5   30 5  f 180.9027 51.47210 1.265131       0.6998498 2.099985       1.178101  0.8098491      0.8699961 207.1778 79.71111 154.6277 65.14326 52.55016       102.9442 
1 1 1 5   30 6  f 76.42599 28.13054 -1.241795      0.3611380 -1.932322      1.043304  -1.147794      0.3849347 96.97961 48.66786 55.87239 28.22674 41.10722       56.26108 
1 1 1 5   30 7  o 157.7266 49.42305 0.9944397      0.7647231 1.206168       1.254760  0.8693219      0.9645627 163.0548 73.17766 152.3985 66.44985 10.65633       98.84611 
1 1 1 5   31 0  o 198.9520 57.52988 2.263253       0.9389430 2.387651       1.198217  2.065329       1.511391  212.0232 80.67072 185.8809 82.04258 26.14229       115.0598 
1 1 1 5   31 1  o 163.4809 54.39782 1.116316       0.9934440 1.077428       1.044202  1.487399       3.225605  161.0735 69.68862 165.8882 83.54630 -4.814713      108.7956 
1 1 1 5   31 2  o 161.5331 49.55305 1.127719       0.7900223 1.439325       0.9584151 0.4671613      1.395424  177.0090 70.74189 146.0570 69.40896 30.95201       99.10609 
1 1 1 5   31 3  o 117.5243 42.26551 -0.8588933     0.7096149 -0.8909313     0.7507094 -0.5900633     2.174595  93.24587 45.82131 141.8027 71.03452 -48.55686      84.53103 
1 1 1 5   31 4  o 152.8498 47.68175 0.9710397      0.7202497 0.8587667      0.9923438 1.096027       1.047029  148.7798 66.03159 156.9198 68.80425 -8.139938      95.36349 
1 1 1 5   31 5  o 106.8069 36.20882 -0.2814867     0.5399795 -0.1935114     0.8934276 -0.3321181     0.6777804 114.0332 54.56339 99.58057 47.61461 14.45264       72.41764 
1 1 1 6   0  0  o 427.1994 36.31698 4.820446       1.068293  4.820446       1.068293  4.820446       1.068293  427.1994 51.35997 427.1994 51.35997 0.000000       0.000000 
1 1 1 6   0  1  o 1663.048 38.31112 70.38701       4.550747  70.38701       4.550747  70.38701       4.550747  1663.048 54.18011 1663.048 54.18011 0.000000       0.000000 
1 1 1 6   0  2  o ?        ?        403.0694       19.06058  403.0694       19.06058  403.0694       19.06058  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 6   0  3  o ?        ?        314.4771       15.25208  314.4771       15.25208  314.4771       15.25208  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 6   0  4  o 262.7167 52.01846 2.143242       0.8467658 2.143242       0.8467658 2.143242       0.8467658 262.7167 73.56521 262.7167 73.56521 0.000000       0.000000 
1 1 1 6   0  5  o 2222.882 44.32756 125.5795       7.042179  125.5795       7.042179  125.5795       7.042179  2222.882 62.68864 2222.882 62.68864 0.000000       0.000000 
1 1 1 6   0  6  o 2160.372 43.63688 118.5665       6.737185  118.5665       6.737185  118.5665       6.737185  2160.372 61.71187 2160.372 61.71187 0.000000       0.000000 
1 1 1 6   0  7  o 945.2099 33.64785 22.80652       2.263943  22.80652       2.263943  22.80652       2.263943  945.2099 47.58525 945.2099 47.58525 0.000000       0.000000 
1 1 1 6   0  8  o 341.4850 48.88987 3.297557       1.058529  3.297557       1.058529  3.297557       1.058529  341.4850 69.14071 341.4850 69.14071 0.000000       0.000000 
1 1 1 6   0  9  o 2510.331 48.06002 160.5326       8.623693  160.5326       8.623693  160.5326       8.623693  2510.331 67.96714 2510.331 67.96714 0.000000       0.000000 
1 1 1 6   0  10 o 1761.021 40.04600 78.93142       5.037371  78.93142       5.037371  78.93142       5.037371  1761.021 56.63360 1761.021 56.63360 0.000000       0.000000 
1 1 1 6   0  11 o 2088.893 43.32420 111.0692       6.466943  111.0692       6.466943  111.0692       6.466943  2088.893 61.26967 2088.893 61.26967 0.000000       0.000000 
1 1 1 6   0  12 o 742.8035 48.66281 14.39531       2.536968  14.39531       2.536968  14.39531       2.536968  742.8035 68.81960 742.8035 68.81960 0.000000       0.000000 
1 1 1 6   0  13 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6   0  14 o 294.4739 94.45707 3.278074       2.150681  3.278074       2.150681  3.278074       2.150681  294.4739 133.5825 294.4739 133.5825 0.000000       0.000000 
1 1 1 6   0  15 o 632.0811 39.90364 10.44157       1.772754  10.44157       1.772754  10.44157       1.772754  632.0811 56.43227 632.0811 56.43227 0.000000       0.000000 
1 1 1 6   0  16 o 117.4633 54.16311 -0.7360017E-01 1.109510  -0.7360017E-01 1.109510  -0.7360017E-01 1.109510  117.4633 76.59821 117.4633 76.59821 0.000000       0.000000 
1 1 1 6   0  17 o 1018.473 37.33233 26.90185       2.705583  26.90185       2.705583  26.90185       2.705583  1018.473 52.79589 1018.473 52.79589 0.000000       0.000000 
1 1 1 6   0  18 o 1647.772 40.50239 70.74986       4.765244  70.74986       4.765244  70.74986       4.765244  1647.772 57.27903 1647.772 57.27903 0.000000       0.000000 
1 1 1 6   0  19 o 199.3285 83.31060 1.535752       2.044781  1.535752       2.044781  1.535752       2.044781  199.3285 117.8190 199.3285 117.8190 0.000000       0.000000 
1 1 1 6   0  20 o 110.4696 52.53645 -0.3106718     1.184317  -0.3106718     1.184317  -0.3106718     1.184317  110.4696 74.29776 110.4696 74.29776 0.000000       0.000000 
1 1 1 6   0  21 o 158.1648 68.23919 0.9481714      1.460961  0.9481714      1.460961  0.9481714      1.460961  158.1648 96.50478 158.1648 96.50478 0.000000       0.000000 
1 1 1 6   0  22 o 184.2188 74.47914 1.650751       1.548772  1.650751       1.548772  1.650751       1.548772  184.2188 105.3294 184.2188 105.3294 0.000000       0.000000 
1 1 1 6   1  0  o 1473.734 44.25892 54.78671       3.118843  54.02969       3.814458  56.31351       5.417164  1459.278 51.63107 1488.189 71.90022 -28.91125      88.51785 
1 1 1 6   1  1  o 2143.219 54.80448 120.2649       5.545033  124.3676       6.790337  112.0528       9.606865  2205.615 60.81043 2080.823 91.19329 124.7913       109.6090 
1 1 1 6   1  2  o ?        ?        406.7051       13.58477  404.7020       19.21066  408.7086       19.21285  ?        ?        ?        ?        ?              ?        
1 1 1 6   1  3  o ?        ?        298.4694       10.30043  299.9814       14.56826  296.9580       14.56577  ?        ?        ?        ?        ?              ?        
1 1 1 6   1  4  o 1136.388 34.01806 33.09662       1.957130  33.05523       2.768062  33.13800       2.767538  1135.668 48.14387 1137.109 48.07372 -1.441406      68.03613 
1 1 1 6   1  5  o 3772.873 64.18333 362.5989       12.25947  360.2989       17.33617  364.8997       17.33885  3760.832 91.05118 3784.914 90.48583 -24.08276      128.3667 
1 1 1 6   1  6  f 1651.005 38.17430 69.11851       3.190489  70.33746       4.514961  67.90271       4.509110  1665.568 53.54364 1636.443 54.42599 29.12524       76.34861 
1 1 1 6   1  7  o 2581.284 59.25122 168.7826       7.312900  167.2622       8.954677  171.8271       12.67129  2566.050 68.92887 2596.517 96.39315 -30.46704      118.5024 
1 1 1 6   1  8  o 1421.480 51.13061 51.32377       3.679641  0.000000       0.000000  51.32377       3.679641  ?        ?        1421.480 51.13061 ?              ?        
1 1 1 6   1  9  o 2143.963 62.20755 117.8014       6.751702  115.8522       9.504097  119.7872       9.593225  2125.962 88.30223 2161.965 87.64606 -36.00244      124.4151 
1 1 1 6   1  10 o 1945.186 50.82264 95.80222       4.733453  98.32124       8.193486  94.54037       5.799075  1962.210 82.47827 1928.161 59.40619 34.04883       101.6453 
1 1 1 6   1  11 o 1797.710 49.72336 82.74761       4.253293  83.51678       5.207586  81.20642       7.371484  1812.417 56.75378 1783.003 81.66187 29.41418       99.44672 
1 1 1 6   1  12 o 1860.023 41.06932 88.13505       3.867328  87.67467       5.475998  88.59315       5.462481  1855.132 58.30487 1864.915 57.85585 -9.782837      82.13865 
1 1 1 6   1  13 o 945.5586 42.33885 21.97813       1.950236  19.46877       2.415721  26.67438       3.304771  871.9335 55.00620 1019.184 64.37880 -147.2502      84.67770 
1 1 1 6   1  14 o 394.1450 64.66656 4.321581       1.310184  2.458508       1.911698  5.971789       1.799176  312.8230 103.6116 475.4671 77.40596 -162.6441      129.3331 
1 1 1 6   1  15 o 180.4623 53.00405 -0.3749630     0.8323135 -1.221645      1.043532  1.105387       1.379838  127.8033 60.52573 233.1212 87.03076 -105.3179      106.0081 
1 1 1 6   1  16 o 208.7729 59.08228 0.1650685      0.9539487 1.579504       1.625350  -0.5782061     1.178230  262.1218 95.03209 155.4239 70.22651 106.6979       118.1646 
1 1 1 6   1  17 f 962.8038 49.51889 25.69775       2.170093  21.22179       3.779313  27.89943       2.650615  886.4405 85.26496 1039.167 50.38224 -152.7267      99.03779 
1 1 1 6   1  18 o 1422.289 48.41751 53.59098       3.280912  53.33810       4.028317  54.08928       5.654633  1429.185 55.67390 1415.394 79.23028 13.79053       96.83501 
1 1 1 6   1  19 o 525.8296 56.40390 7.742779       1.392569  7.421996       2.285384  7.932220       1.756273  509.4684 91.99017 542.1909 65.29478 -32.72250      112.8078 
1 1 1 6   1  20 o 192.3965 53.41033 0.2882832      0.8749025 1.576578       1.214614  -1.100963      1.261305  240.6528 82.60017 144.1403 67.73379 96.51256       106.8207 
1 1 1 6   1  21 o 180.5794 55.16711 0.1715139      0.9246298 0.2133829E-02  1.308108  0.3406434      1.307140  174.9587 76.80491 186.2001 79.21267 -11.24139      110.3342 
1 1 1 6   1  22 o 252.2583 61.78701 1.881894       0.9813014 1.401634       1.446474  2.291398       1.335678  230.9772 88.45429 273.5393 86.29238 -42.56206      123.5740 
1 1 1 6   2  0  o 1974.339 51.13843 99.98042       4.802742  100.7703       5.877397  98.39301       8.332043  1989.263 58.35918 1959.416 83.99262 29.84668       102.2769 
1 1 1 6   2  1  o 1772.012 49.75102 83.20661       4.192581  83.44592       5.133505  82.72726       7.265550  1789.398 56.66613 1754.626 81.79001 34.77136       99.50204 
1 1 1 6   2  2  o ?        ?        38.62339       2.491117  38.62328       3.042247  38.62362       4.339771  ?        ?        ?        ?        ?              ?        
1 1 1 6   2  3  o ?        ?        90.16143       3.866564  91.36211       5.471454  88.96365       5.464846  ?        ?        ?        ?        ?              ?        
1 1 1 6   2  4  o 2332.188 45.76651 139.0234       5.403465  137.3736       7.640688  140.6740       7.642618  2318.215 65.10213 2346.162 64.34288 -27.94702      91.53302 
1 1 1 6   2  5  o 2586.045 48.60260 169.8631       6.362762  167.4260       8.997942  172.3006       8.998668  2567.429 69.22469 2604.661 68.24068 -37.23145      97.20519 
1 1 1 6   2  6  o 786.2261 40.31329 15.53257       1.504876  16.44144       2.629230  15.08976       1.835214  802.3076 65.29623 770.1446 47.29743 32.16302       80.62657 
1 1 1 6   2  7  o 3371.172 83.68782 290.9927       14.27463  279.6064       20.19549  302.3608       20.17928  3304.496 120.7162 3437.848 115.9406 -133.3521      167.3756 
1 1 1 6   2  8  f 2104.421 87.44778 113.2775       9.316765  0.000000       0.000000  113.2775       9.316765  ?        ?        2104.421 87.44778 ?              ?        
1 1 1 6   2  9  o 1501.841 45.08035 56.33588       3.237540  54.15197       3.938565  60.88620       5.685147  1459.302 53.31005 1544.379 72.71169 -85.07617      90.16070 
1 1 1 6   2  10 o 2122.956 43.40097 114.6419       4.664681  114.9891       6.594448  114.2942       6.599266  2126.192 61.26215 2119.719 61.49412 6.472900       86.80195 
1 1 1 6   2  11 o 1375.674 36.61827 48.11383       2.547850  50.57699       3.604333  45.65374       3.602077  1411.017 50.45555 1340.331 53.08321 70.68604       73.23653 
1 1 1 6   2  12 o 1493.353 38.02750 56.77208       2.874030  58.71764       4.077260  54.85069       4.051843  1518.901 53.02192 1467.806 54.52559 51.09509       76.05501 
1 1 1 6   2  13 o 1777.268 40.49866 80.63811       3.643924  81.31717       5.166985  79.96621       5.139696  1784.735 57.18471 1769.801 57.36268 14.93384       80.99733 
1 1 1 6   2  14 o 2324.197 57.76954 141.0277       6.378525  135.5703       11.00784  143.7864       7.826355  2281.217 95.31297 2367.178 65.30478 -85.96118      115.5391 
1 1 1 6   2  15 o 339.9970 68.73448 3.110563       1.118440  3.196509       1.268877  2.811209       2.368100  344.8445 74.82967 335.1495 115.3180 9.694946       137.4690 
1 1 1 6   2  16 o 594.2946 41.30834 9.269299       1.209704  10.91570       1.717842  7.649693       1.703805  649.0502 52.73424 539.5389 63.59729 109.5113       82.61668 
1 1 1 6   2  17 o 716.4354 45.16351 13.39896       1.558981  13.06726       1.947101  13.99139       2.602166  707.8038 54.76268 725.0671 71.83328 -17.26331      90.32703 
1 1 1 6   2  18 o 324.1915 69.88749 2.898994       1.278359  2.036921       1.738978  3.912637       1.885665  280.0966 98.67157 368.2864 98.99982 -88.18982      139.7750 
1 1 1 6   2  19 o 934.1575 53.29153 22.95592       2.509911  0.000000       0.000000  22.95592       2.509911  ?        ?        934.1575 53.29153 ?              ?        
1 1 1 6   2  20 o 541.4114 62.31114 8.497106       1.532527  8.456050       1.860535  8.583744       2.702764  553.4049 67.82636 529.4180 104.5481 23.98694       124.6223 
1 1 1 6   2  21 o 202.1851 57.68144 0.4101897      0.9732599 1.705573       1.463935  -0.6158680     1.302892  247.4635 90.11755 156.9066 72.02375 90.55685       115.3629 
1 1 1 6   2  22 f 272.9954 64.46920 2.286345       1.086319  1.513667       1.580677  2.977937       1.495440  238.3437 92.15488 307.6470 90.18087 -69.30334      128.9384 
1 1 1 6   3  0  o ?        ?        164.3736       6.182213  162.6087       8.741807  166.1393       8.744134  ?        ?        ?        ?        ?              ?        
1 1 1 6   3  1  o ?        ?        275.4310       9.583686  271.8338       13.55245  279.0291       13.55430  ?        ?        ?        ?        ?              ?        
1 1 1 6   3  2  o ?        ?        54.50903       3.101533  53.35799       3.789262  56.84550       5.398684  ?        ?        ?        ?        ?              ?        
1 1 1 6   3  3  o ?        ?        250.4985       12.50279  255.9351       17.68199  245.0623       17.68123  ?        ?        ?        ?        ?              ?        
1 1 1 6   3  4  o 1422.328 51.52341 51.63941       3.702692  52.93162       5.249899  50.36041       5.223000  1441.114 71.95631 1403.542 73.76270 37.57275       103.0468 
1 1 1 6   3  5  o 1957.263 50.40489 96.86458       4.707667  96.04050       5.752999  98.53477       8.190177  1945.742 58.40169 1968.784 82.16966 -23.04224      100.8098 
1 1 1 6   3  6  o 1172.749 48.53680 34.86289       2.881774  34.86289       2.881774  0.000000       0.000000  1172.749 48.53680 ?        ?        ?              ?        
1 1 1 6   3  7  o 1782.781 49.05648 81.50636       4.159330  78.68813       7.186742  82.92576       5.100314  1758.073 80.74422 1807.489 55.73621 -49.41626      98.11297 
1 1 1 6   3  8  o 1110.647 34.32741 31.33351       1.929906  32.06087       2.737648  30.61495       2.721025  1123.492 48.13089 1097.801 48.95817 25.69128       68.65482 
1 1 1 6   3  9  o 1651.351 47.98167 69.64714       3.773341  69.18279       6.548913  69.87791       4.616702  1645.183 78.62693 1657.519 55.01608 -12.33582      95.96334 
1 1 1 6   3  10 o 937.5634 43.96162 22.13332       1.931145  21.58539       2.325459  23.35077       3.466339  920.5807 50.08413 954.5461 72.26392 -33.96533      87.92323 
1 1 1 6   3  11 o 631.1296 37.13449 10.19607       1.175254  10.01864       1.675959  10.36774       1.648501  625.5689 53.43062 636.6902 51.58538 -11.12134      74.26899 
1 1 1 6   3  12 f 1475.146 45.63285 55.23920       3.240813  54.55769       3.995024  56.55079       5.542202  1463.780 53.90885 1486.512 73.64281 -22.73218      91.26569 
1 1 1 6   3  13 o 375.7899 74.72932 3.755641       1.477942  3.407776       1.996204  4.177656       2.198688  357.8551 103.9899 393.7245 107.3498 -35.86942      149.4586 
1 1 1 6   3  14 o 1343.992 45.73552 46.53393       2.936180  46.07694       5.027646  46.77046       3.617104  1334.929 74.69102 1353.054 52.80342 -18.12512      91.47103 
1 1 1 6   3  15 o 632.9297 49.24572 10.06711       1.436082  9.437911       1.709745  11.57438       2.646274  603.7281 56.59857 662.1312 80.60499 -58.40302      98.49143 
1 1 1 6   3  16 o 1206.929 37.47841 37.54753       2.289342  37.84488       3.205733  37.23804       3.270474  1212.113 52.23967 1201.746 53.75447 10.36780       74.95683 
1 1 1 6   3  17 o 1033.146 37.14238 27.71519       1.936575  28.44740       2.697879  26.93688       2.781496  1048.664 50.81620 1017.627 54.18430 31.03760       74.28475 
1 1 1 6   3  18 o 524.9877 44.90511 7.352916       1.168200  7.085103       1.611390  7.649601       1.696025  514.9648 63.12934 535.0105 63.87928 -20.04565      89.81023 
1 1 1 6   3  19 o 567.9756 61.39574 9.064878       1.694314  9.454769       2.590033  8.773221       2.240118  575.2600 92.03445 560.6912 81.28597 14.56879       122.7915 
1 1 1 6   3  20 o 250.3396 85.84269 1.742287       1.311693  1.742287       1.311693  0.000000       0.000000  250.3396 85.84269 ?        ?        ?              ?        
1 1 1 6   3  21 o 402.4909 66.89983 5.102129       1.322784  4.719116       2.112528  5.349152       1.696543  379.9280 105.8767 425.0537 81.80758 -45.12570      133.7997 
1 1 1 6   3  22 o 291.2327 73.77628 2.505959       1.328603  3.803754       2.282653  1.841042       1.633880  330.3052 113.2430 252.1601 94.59275 78.14511       147.5526 
1 1 1 6   4  0  o ?        ?        5.200128       0.9000694 4.597615       1.563757  5.498629       1.100673  ?        ?        ?        ?        ?              ?        
1 1 1 6   4  1  o ?        ?        114.6216       5.384699  113.2293       9.350392  115.3125       6.586508  ?        ?        ?        ?        ?              ?        
1 1 1 6   4  2  o ?        ?        397.5384       15.43291  392.1771       26.74942  400.2134       18.89474  ?        ?        ?        ?        ?              ?        
1 1 1 6   4  3  f 2162.644 54.77510 121.9912       5.630547  122.3091       6.883753  121.3487       9.787264  2177.623 62.43942 2147.665 90.01424 29.95874       109.5502 
1 1 1 6   4  4  o 2107.104 52.79384 112.7698       5.301945  112.4317       6.480954  113.4540       9.219122  2104.068 60.84089 2110.139 86.29683 -6.071533      105.5877 
1 1 1 6   4  5  o 2352.837 45.64130 140.4832       5.436465  141.9624       7.690405  139.0056       7.686241  2365.247 64.22277 2340.427 64.86870 24.82007       91.28259 
1 1 1 6   4  6  o 949.5675 39.00957 22.23101       1.788528  20.62426       2.196860  25.38934       3.080040  900.6808 48.35472 998.4542 61.22750 -97.77338      78.01913 
1 1 1 6   4  7  o 1197.816 42.15430 36.37204       2.408996  36.93518       4.165352  36.08902       2.952943  1203.083 68.67155 1192.550 48.90969 10.53357       84.30859 
1 1 1 6   4  8  o 492.4000 36.76790 6.226638       0.9022868 6.076744       1.252314  6.388448       1.301138  486.2205 51.66566 498.5795 52.32756 -12.35898      73.53580 
1 1 1 6   4  9  o 1677.800 47.56021 71.02496       3.806834  73.88152       6.659057  69.63818       4.639774  1700.786 77.33559 1654.814 55.38142 45.97229       95.12042 
1 1 1 6   4  10 o 2194.416 54.80327 122.9426       5.729353  123.1154       7.009376  122.5948       9.945190  2199.658 62.94200 2189.174 89.73237 10.48389       109.6065 
1 1 1 6   4  11 o 1849.195 40.92188 87.00986       3.830335  89.14639       5.424644  84.88548       5.409214  1871.938 57.23954 1826.452 58.49817 45.48621       81.84376 
1 1 1 6   4  12 f 1830.060 49.95963 85.91558       4.377129  86.39935       5.388155  84.97680       7.505950  1840.868 57.81411 1819.251 81.49469 21.61609       99.91925 
1 1 1 6   4  13 o 835.5769 44.98819 18.36847       1.765435  16.79472       3.017446  19.18758       2.176920  804.9349 74.90459 866.2189 49.85030 -61.28406      89.97638 
1 1 1 6   4  14 o 470.2960 51.58340 5.742004       1.159588  6.211838       1.885279  5.456093       1.470684  484.1440 79.68942 456.4480 65.52088 27.69601       103.1668 
1 1 1 6   4  15 o 376.8430 66.89811 4.448130       1.197401  5.110335       1.352599  2.049047       2.574513  441.1435 62.29621 312.5425 118.4087 128.6010       133.7962 
1 1 1 6   4  16 o 327.9010 53.27808 2.983259       0.8761095 3.706874       1.207905  2.180005       1.272640  371.9866 66.58379 283.8154 83.19142 88.17117       106.5562 
1 1 1 6   4  17 o 1154.163 44.07915 33.65226       2.464206  30.55901       3.030039  39.69414       4.234745  1082.860 55.45641 1225.466 68.53082 -142.6058      88.15829 
1 1 1 6   4  18 o 648.0890 48.96969 11.08220       1.542548  12.24743       2.518001  10.38219       1.951637  671.6740 75.34715 624.5040 62.56940 47.16998       97.93938 
1 1 1 6   4  19 o 497.2010 49.93745 6.817765       1.208942  5.852678       1.714240  7.772701       1.705201  458.1794 76.60603 536.2225 64.08206 -78.04315      99.87489 
1 1 1 6   4  20 o 390.8794 67.59131 4.741601       1.310679  5.049586       1.667217  4.243281       2.120707  416.5031 81.98497 365.2557 107.4840 51.24731       135.1826 
1 1 1 6   4  21 o 190.8947 57.80527 0.3450310      0.9964995 0.2651251      1.427530  0.4209739      1.391680  189.1978 81.66969 192.5915 81.82825 -3.393753      115.6105 
1 1 1 6   4  22 o 314.9285 75.71596 2.768285       1.400093  1.584200       1.679901  5.461596       2.533586  241.7789 94.57903 388.0781 118.2643 -146.2992      151.4319 
1 1 1 6   5  0  o ?        ?        78.35748       4.947941  75.51680       6.991556  81.20775       7.003349  ?        ?        ?        ?        ?              ?        
1 1 1 6   5  1  o ?        ?        24.39136       2.360753  26.52692       3.339686  22.25855       3.337534  ?        ?        ?        ?        ?              ?        
1 1 1 6   5  2  o 548.3904 42.25592 8.206088       1.084490  9.163690       1.917543  7.755740       1.315003  562.9492 68.70660 533.8316 49.21030 29.11761       84.51183 
1 1 1 6   5  3  o 3176.618 56.20705 257.3820       9.039159  255.2577       12.78355  259.5062       12.78306  3163.409 79.82013 3189.827 79.15601 -26.41821      112.4141 
1 1 1 6   5  4  o 3357.421 72.72949 289.6820       11.59301  294.1755       14.18783  280.6545       20.10987  3401.188 82.39515 3313.653 119.8722 87.53516       145.4590 
1 1 1 6   5  5  o 2201.375 53.17359 121.3380       5.632791  117.6560       6.909946  128.6309       9.724790  2153.360 63.38323 2249.389 85.39491 -96.02905      106.3472 
1 1 1 6   5  6  o 3253.168 70.10634 269.6915       10.89241  270.1871       18.83804  269.4426       13.35042  3251.568 114.4351 3254.767 81.01984 -3.199219      140.2127 
1 1 1 6   5  7  o 2715.828 50.12325 187.8645       6.891665  187.3565       9.743979  188.3730       9.748596  2712.136 70.96452 2719.521 70.80536 -7.384766      100.2465 
1 1 1 6   5  8  o 807.9331 33.41148 16.63904       1.358647  15.47135       1.902305  17.85486       1.941116  778.7562 48.49030 837.1100 45.97824 -58.35388      66.82296 
1 1 1 6   5  9  f 2927.989 65.80991 220.0076       9.174797  218.7547       15.92362  220.6302       11.22538  2915.606 107.8771 2940.373 75.40759 -24.76685      131.6198 
1 1 1 6   5  10 o 727.6361 46.50734 13.53641       1.530030  13.46717       1.811408  13.70880       2.858279  726.5253 49.54285 728.7469 78.72253 -2.221680      93.01469 
1 1 1 6   5  11 o 1287.869 36.06774 42.16132       2.348627  45.09330       3.353273  39.33803       3.290536  1331.952 49.72753 1243.787 52.25610 88.16443       72.13548 
1 1 1 6   5  12 o 1925.728 41.90644 94.63764       4.085608  94.16293       5.769926  95.11501       5.785951  1920.867 59.33204 1930.589 59.19721 -9.721924      83.81289 
1 1 1 6   5  13 o 469.3849 42.19568 5.741929       0.9723523 6.502199       1.380729  4.993900       1.369567  501.6197 55.28714 437.1501 63.75919 64.46964       84.39137 
1 1 1 6   5  14 o 1071.784 35.82433 29.34659       1.943190  28.27749       2.728424  30.44708       2.768180  1051.865 51.23515 1091.703 50.08482 -39.83789      71.64866 
1 1 1 6   5  15 f 341.9301 51.43769 3.123372       0.8686793 2.202705       1.183821  4.197441       1.278648  285.9635 79.10352 397.8967 65.77215 -111.9332      102.8754 
1 1 1 6   5  16 o 1199.265 37.47646 37.13770       2.274554  37.05933       3.172522  37.22060       3.262786  1198.276 52.29549 1200.255 53.69472 -1.978882      74.95293 
1 1 1 6   5  17 o 650.5862 50.07684 11.73234       1.489134  12.58656       1.836166  10.09085       2.545337  694.4888 52.61383 606.6836 85.22057 87.80524       100.1537 
1 1 1 6   5  18 o 186.1656 57.92141 -0.2206491     1.069932  -2.250237      2.057949  0.5311558      1.252516  175.7817 83.74915 196.5494 80.03525 -20.76772      115.8428 
1 1 1 6   5  19 o 566.6504 44.52232 8.641150       1.253315  9.248183       1.839670  8.115384       1.712106  585.2646 63.08455 548.0361 62.84337 37.22852       89.04465 
1 1 1 6   5  20 o 172.4634 55.07590 -0.5281100     1.039983  0.1224536      1.482106  -1.159124      1.459668  189.5118 82.50785 155.4151 72.97860 34.09677       110.1518 
1 1 1 6   5  21 o 289.9623 67.18124 2.653344       1.360914  -0.1319222     2.333863  4.088336       1.675200  217.6057 98.53315 362.3190 91.34818 -144.7132      134.3625 
1 1 1 6   5  22 o 214.5578 66.05852 0.5636915      1.355628  1.087957       1.701870  -0.3464010     2.242299  223.4084 92.38314 205.7073 94.44715 17.70117       132.1170 
1 1 1 6   6  0  o 1135.696 46.84322 37.69433       2.476582  36.74256       4.336699  38.15495       3.016919  1093.764 78.84501 1177.628 50.60250 -83.86401      93.68643 
1 1 1 6   6  1  o 1600.624 37.82860 65.36436       3.065394  65.08720       4.340838  65.64005       4.329429  1597.196 53.68236 1604.052 53.31244 -6.855469      75.65720 
1 1 1 6   6  2  o 2273.874 54.90765 131.0964       5.963863  134.1461       10.36472  129.5870       7.291927  2290.813 89.36848 2256.934 63.81750 33.87915       109.8153 
1 1 1 6   6  3  o 1672.400 47.16276 70.60604       3.759443  72.34828       6.566821  69.75664       4.585183  1686.699 76.90136 1658.101 54.62130 28.59766       94.32552 
1 1 1 6   6  4  o 1363.162 35.47331 47.11532       2.447681  46.07634       3.460962  48.15500       3.462127  1348.103 50.70961 1378.222 49.61812 -30.11902      70.94662 
1 1 1 6   6  5  o 2622.761 69.07014 174.6551       9.171341  174.6551       9.171341  0.000000       0.000000  2622.761 69.07014 ?        ?        ?              ?        
1 1 1 6   6  6  o 491.6515 42.82794 6.294077       1.009021  5.968259       1.617626  6.501587       1.290951  479.7258 68.55376 503.5771 51.35476 -23.85129      85.65588 
1 1 1 6   6  7  o 913.7638 33.62433 21.26067       1.549796  20.64620       2.177666  21.89130       2.206095  900.3051 47.94969 927.2225 47.15092 -26.91742      67.24866 
1 1 1 6   6  8  o 890.2819 34.18975 20.18478       1.534548  19.46062       2.136056  20.95714       2.205991  873.7299 48.47967 906.8339 48.22321 -33.10394      68.37950 
1 1 1 6   6  9  o 380.6446 46.60775 3.941603       0.8367670 2.272964       1.180141  5.628614       1.186620  293.3136 78.08799 467.9757 50.90577 -174.6621      93.21551 
1 1 1 6   6  10 o 622.4052 36.54114 9.926180       1.137353  10.82238       1.612286  9.038433       1.604660  650.9007 49.29212 593.9097 53.95652 56.99103       73.08228 
1 1 1 6   6  11 o 1206.647 43.56288 37.34550       2.517190  37.71754       3.113097  36.64291       4.278130  1217.782 50.49398 1195.513 71.00179 22.26843       87.12576 
1 1 1 6   6  12 o 536.3679 46.54184 7.039759       1.192676  9.149755       2.049447  5.959242       1.466600  593.7101 69.49842 479.0257 61.92366 114.6844       93.08367 
1 1 1 6   6  13 o 1290.790 36.86562 42.52535       2.408760  41.48568       3.384847  43.59205       3.428577  1274.744 52.44843 1306.836 51.82139 -32.09253      73.73123 
1 1 1 6   6  14 o 1294.146 36.82462 42.84945       2.412445  41.97161       3.397785  43.74184       3.425812  1280.694 52.40428 1307.599 51.74942 -26.90417      73.64925 
1 1 1 6   6  15 o 1462.922 48.06083 56.18064       3.341343  53.99170       5.726079  57.31083       4.114492  1433.518 79.20608 1492.326 54.45889 -58.80811      96.12166 
1 1 1 6   6  16 f 934.4498 48.96526 22.55301       2.062066  21.96129       2.419896  24.12184       3.940278  920.4847 52.14162 948.4149 82.89535 -27.93024      97.93052 
1 1 1 6   6  17 o 231.4646 67.34431 0.6860415      1.277384  0.3304099      1.853411  1.007812       1.762969  222.4507 94.47153 240.4785 96.00082 -18.02785      134.6886 
1 1 1 6   6  18 o 279.9017 63.76370 2.039673       1.047416  1.313465       1.384411  3.011845       1.601792  236.1758 87.37103 323.6276 92.89532 -87.45183      127.5274 
1 1 1 6   6  19 o 311.3942 67.91743 2.836702       1.177621  2.510751       1.605230  3.216563       1.732902  294.2555 94.78932 328.5328 97.29386 -34.27734      135.8349 
1 1 1 6   6  20 o 255.7764 59.09929 0.8910003      1.155473  3.999417       1.719095  -1.670525      1.560557  360.1618 93.46909 151.3911 72.34940 208.7707       118.1986 
1 1 1 6   6  21 o 664.1570 62.17008 13.94398       1.813259  15.57833       2.247313  10.89514       3.069434  751.8175 59.52964 576.4965 109.1636 175.3210       124.3402 
1 1 1 6   6  22 o 299.2073 76.42451 3.111460       1.475132  3.244764       1.848083  2.877417       2.448766  308.4557 101.8591 289.9589 113.9629 18.49686       152.8490 
1 1 1 6   7  0  o 1499.791 36.50911 57.10950       2.771714  55.89877       3.916796  58.32396       3.922801  1483.824 52.13926 1515.757 51.11907 -31.93298      73.01823 
1 1 1 6   7  1  o 502.8865 34.10515 6.474354       0.8574063 6.667229       1.216735  6.284107       1.208419  510.4630 47.63150 495.3100 48.82504 15.15302       68.21030 
1 1 1 6   7  2  o 771.0291 31.87348 15.12288       1.238354  15.59912       1.757141  14.65293       1.745510  783.1780 44.49986 758.8802 45.64469 24.29773       63.74696 
1 1 1 6   7  3  o 1211.602 41.30932 36.58113       2.387146  39.44080       4.191461  35.20826       2.904165  1244.721 66.75695 1178.482 48.67596 66.23828       82.61864 
1 1 1 6   7  4  o 1977.371 59.41510 99.53133       5.940338  94.76550       8.460950  104.1642       8.342124  1930.367 86.57562 2024.375 81.39581 -94.00769      118.8302 
1 1 1 6   7  5  o 837.2811 47.06747 17.86832       1.973555  17.25448       2.678886  18.59690       2.918548  821.7008 64.92455 852.8615 68.16298 -31.16064      94.13495 
1 1 1 6   7  6  o 1808.282 49.53576 84.69060       4.253179  79.08201       7.302948  87.56933       5.232053  1760.189 81.95116 1856.374 55.67023 -96.18457      99.07153 
1 1 1 6   7  7  o 291.4921 46.71791 2.251653       0.6741096 2.062176       0.9461966 2.446958       0.9606373 278.8163 67.70738 304.1680 64.38916 -25.35165      93.43583 
1 1 1 6   7  8  o 1872.138 40.35945 89.21709       3.820197  83.45338       5.376161  95.09550       5.429381  1810.770 58.64423 1933.507 55.46526 -122.7367      80.71890 
1 1 1 6   7  9  o 1743.536 39.72533 77.28362       3.506500  76.67992       4.942587  77.89537       4.975457  1736.677 56.21494 1750.396 56.14524 -13.71936      79.45067 
1 1 1 6   7  10 o 1625.469 48.73162 67.68269       3.748047  66.47530       6.567201  68.26595       4.564426  1612.539 80.44264 1638.399 55.02787 -25.86011      97.46325 
1 1 1 6   7  11 o 1342.956 52.39496 45.91608       3.562338  45.91608       3.562338  0.000000       0.000000  1342.956 52.39496 ?        ?        ?              ?        
1 1 1 6   7  12 o 1612.003 47.81951 66.96148       3.679122  65.52311       6.328756  67.69571       4.521668  1595.421 78.35367 1628.585 54.84091 -33.16382      95.63902 
1 1 1 6   7  13 f 559.5084 39.89374 8.087775       1.114035  7.791452       1.569450  8.388700       1.581588  548.8985 57.32271 570.1184 55.49908 -21.21991      79.78748 
1 1 1 6   7  14 o 1671.031 40.13612 71.71893       3.393430  73.86676       4.771032  69.51991       4.827537  1696.860 55.53702 1645.203 57.95922 51.65784       80.27224 
1 1 1 6   7  15 o 446.0745 61.68114 5.457959       1.292014  5.303552       2.161938  5.543743       1.611430  436.5253 99.97552 455.6238 72.27135 -19.09848      123.3623 
1 1 1 6   7  16 f 336.6963 69.15221 3.525996       1.303984  4.342718       1.489126  0.8404993      2.700269  398.7375 76.54996 274.6551 115.1877 124.0824       138.3044 
1 1 1 6   7  17 o 581.5710 60.65933 9.763582       1.596483  8.051687       2.679578  10.70568       1.987813  528.3546 103.8773 634.7875 62.67156 -106.4329      121.3187 
1 1 1 6   7  18 f 1019.274 39.41610 27.40960       2.022233  29.94376       2.869134  24.90791       2.850695  1068.777 53.02496 969.7718 58.33413 99.00482       78.83221 
1 1 1 6   7  19 o 379.8745 64.84209 4.285900       1.236180  3.805221       1.726361  4.791722       1.770937  356.1442 94.27049 403.6048 89.05653 -47.46054      129.6842 
1 1 1 6   7  20 o 138.7555 47.58713 -2.179140      1.054492  -3.029968      1.538964  -1.426164      1.447764  129.2188 63.89481 148.2922 70.53789 -19.07339      95.17426 
1 1 1 6   7  21 o 264.2939 70.94970 1.895390       1.311548  1.153557       1.706935  2.964602       2.049254  228.1605 93.22937 300.4272 106.9753 -72.26668      141.8994 
1 1 1 6   7  22 o 250.4428 62.28819 1.358784       1.072025  3.692925       1.760174  -0.1756988E-01 1.351628  328.9186 98.20483 171.9671 76.64911 156.9515       124.5764 
1 1 1 6   8  0  o 993.0881 33.67529 25.01030       1.692615  25.57563       2.386173  24.43776       2.401335  1004.409 46.92538 981.7673 48.31262 22.64166       67.35058 
1 1 1 6   8  1  o 2752.283 50.26260 192.3980       7.003122  189.7766       9.902944  195.0205       9.904878  2733.467 71.55943 2771.099 70.60143 -37.63184      100.5252 
1 1 1 6   8  2  o 2704.865 49.97129 185.7897       6.842500  188.6818       9.684134  182.9064       9.669395  2725.945 70.17138 2683.784 71.16528 42.16162       99.94258 
1 1 1 6   8  3  o 2315.694 55.18608 135.9090       6.121468  135.1635       7.515758  137.3782       10.55088  2307.716 64.32899 2323.671 89.68721 -15.95508      110.3722 
1 1 1 6   8  4  o 1532.034 52.18562 59.62338       4.045977  60.83026       5.824596  58.49803       5.624405  1546.958 74.37099 1517.110 73.22781 29.84875       104.3712 
1 1 1 6   8  5  o 3546.252 75.71873 323.4380       12.80355  319.1870       22.11518  325.5812       15.70286  3521.052 124.0608 3571.453 86.84604 -50.40112      151.4375 
1 1 1 6   8  6  o 1835.473 40.31475 85.72550       3.746174  86.12035       5.290894  85.32856       5.304914  1839.746 56.80513 1831.200 57.22146 8.546143       80.62951 
1 1 1 6   8  7  o 1618.101 38.58462 66.64303       3.158406  63.33738       4.448205  70.00412       4.485348  1577.446 55.69890 1658.756 53.41091 -81.30994      77.16924 
1 1 1 6   8  8  o 811.9579 34.09304 16.81160       1.394028  16.04473       1.969711  17.58118       1.973201  793.2076 49.29312 830.7083 47.11189 -37.50073      68.18608 
1 1 1 6   8  9  o 1314.922 35.54735 43.92589       2.366340  44.40274       3.352178  43.45226       3.340870  1322.052 50.08351 1307.791 50.45888 14.26147       71.09470 
1 1 1 6   8  10 f 255.7545 62.77217 1.354397       0.8690420 1.928089       1.820300  1.185035       0.9890348 289.2491 101.0138 222.2599 74.54932 66.98918       125.5443 
1 1 1 6   8  11 o 883.5759 43.74536 19.73077       1.819510  19.18561       2.200717  20.90842       3.234545  866.5269 50.38222 900.6250 71.52802 -34.09814      87.49072 
1 1 1 6   8  12 o 769.9338 36.29683 15.15792       1.405217  14.39087       1.935837  16.01228       2.043047  749.2977 51.34014 790.5699 51.32280 -41.27216      72.59367 
1 1 1 6   8  13 o 798.7024 36.21672 16.36735       1.456665  16.15141       2.050646  16.58729       2.069554  793.3420 51.33105 804.0627 51.10505 -10.72076      72.43344 
1 1 1 6   8  14 o 829.7338 36.87399 17.72660       1.541083  17.80285       2.183463  17.65092       2.175400  831.5215 52.13030 827.9459 52.16508 3.575623       73.74798 
1 1 1 6   8  15 o 974.3337 37.08505 24.54773       1.822172  23.83891       2.558518  25.27733       2.595767  959.8636 52.85329 988.8038 52.03588 -28.94019      74.17010 
1 1 1 6   8  16 f 786.7025 55.53948 16.17494       2.197844  16.17494       2.197844  0.000000       0.000000  786.7025 55.53948 ?        ?        ?              ?        
1 1 1 6   8  17 o 317.7759 70.64827 2.811337       1.213522  3.012238       2.136871  2.715703       1.474331  326.0431 109.5778 309.5087 89.20431 16.53439       141.2965 
1 1 1 6   8  18 o 431.1646 59.14385 5.387277       1.236042  6.655694       1.718089  4.026431       1.779586  492.1880 71.00315 370.1411 94.60725 122.0468       118.2877 
1 1 1 6   8  19 o 806.8398 42.20637 17.60382       1.711541  17.34923       2.428308  17.85516       2.412735  800.4342 60.36737 813.2454 59.00247 -12.81116      84.41274 
1 1 1 6   8  20 o 333.4695 69.49197 3.234129       1.284199  5.376703       2.090721  1.935992       1.627378  408.3555 101.5540 258.5835 94.88584 149.7719       138.9839 
1 1 1 6   8  21 o 320.9455 99.26238 3.401313       1.777005  3.401313       1.777005  0.000000       0.000000  320.9455 99.26238 ?        ?        ?              ?        
1 1 1 6   8  22 o 267.9898 73.96058 2.127034       1.276566  3.469756       2.629735  1.713078       1.460146  298.9516 117.9069 237.0280 89.32314 61.92360       147.9212 
1 1 1 6   9  0  o 1537.284 36.46983 59.92335       2.838381  59.74451       4.011378  60.10268       4.016780  1534.985 51.61855 1539.583 51.53368 -4.598511      72.93967 
1 1 1 6   9  1  o 1351.335 34.77704 46.30164       2.378875  47.27023       3.365676  45.33471       3.362801  1365.480 48.68592 1337.191 49.67344 28.28931       69.55408 
1 1 1 6   9  2  f 1443.171 43.69784 52.77591       3.033040  52.59433       3.741673  53.12384       5.179500  1440.137 51.31901 1446.205 70.74152 -6.067383      87.39568 
1 1 1 6   9  3  o 2949.091 63.18532 218.9987       8.957852  213.5784       10.99184  229.7175       15.45725  2898.181 74.91369 3000.002 101.7717 -101.8215      126.3706 
1 1 1 6   9  4  o 340.7720 44.29193 2.931772       0.7187955 3.577621       1.183756  2.554556       0.9046722 369.6168 65.66533 311.9273 59.45726 57.68945       88.58386 
1 1 1 6   9  5  o 1263.370 43.11107 40.67649       2.593947  40.74954       4.485702  40.63979       3.179458  1262.059 70.48650 1264.681 49.65793 -2.621582      86.22214 
1 1 1 6   9  6  o 2804.082 62.81300 200.8457       8.391862  198.7464       10.24103  205.1363       14.64110  2788.577 72.53998 2819.587 102.5663 -31.01001      125.6260 
1 1 1 6   9  7  o 1191.282 34.43341 36.07352       2.076112  36.67525       2.917865  35.45654       2.954612  1201.414 47.97211 1181.149 49.40968 20.26489       68.86682 
1 1 1 6   9  8  f 241.1926 45.91968 1.485468       0.5914916 2.114240       0.8707070 0.9466460      0.8060237 282.7226 62.49371 199.6626 67.29787 83.06004       91.83936 
1 1 1 6   9  9  o 1048.789 35.00676 27.93673       1.858230  27.36274       2.590335  28.54529       2.667219  1037.712 49.30549 1059.866 49.70776 -22.15356      70.01351 
1 1 1 6   9  10 o 1677.748 47.09182 70.88151       3.819521  68.56620       4.709180  75.33315       6.529815  1640.370 56.70480 1715.127 75.20055 -74.75684      94.18363 
1 1 1 6   9  11 o 779.9764 43.26310 15.56458       1.645946  16.00381       2.679204  15.29831       2.086011  787.3943 67.87247 772.5584 53.66669 14.83594       86.52621 
1 1 1 6   9  12 o 163.8710 48.47964 0.1311303      0.6739949 0.1466955      0.9576678 0.1158540      0.9487404 164.8954 68.83419 162.8466 68.28584 2.048752       96.95928 
1 1 1 6   9  13 o 498.8065 42.60973 6.444090       1.050842  5.877766       1.427896  7.113213       1.552091  474.5748 60.83049 523.0381 59.68255 -48.46329      85.21946 
1 1 1 6   9  14 o 883.6808 37.66783 20.15369       1.677092  20.18270       2.352872  20.12374       2.391123  884.4811 52.78499 882.8804 53.75134 1.600769       75.33566 
1 1 1 6   9  15 o 616.4633 42.71449 9.979811       1.315330  9.662920       1.861617  10.29571       1.858703  606.2003 61.51019 626.7261 59.28413 -20.52582      85.42899 
1 1 1 6   9  16 o 926.0235 44.93789 22.18153       2.018380  20.92329       2.509719  24.48547       3.396092  893.9811 55.72886 958.0659 70.51206 -64.08472      89.87579 
1 1 1 6   9  17 o 633.5740 52.96712 10.45011       1.594507  12.79301       2.774773  9.295015       1.948313  679.9233 82.28387 587.2246 66.71904 92.69867       105.9342 
1 1 1 6   9  18 o 690.6259 44.21204 12.83857       1.524349  11.62251       2.116179  14.15005       2.197637  655.0212 64.65736 726.2306 60.31784 -71.20941      88.42407 
1 1 1 6   9  19 o 969.4127 41.23667 25.53625       2.002533  28.35182       2.825283  22.69372       2.838785  1027.431 54.51076 911.3947 61.89046 116.0359       82.47334 
1 1 1 6   9  20 o 226.5750 62.13453 1.298080       1.018309  1.422746       1.466790  1.182091       1.414829  232.3127 89.04767 220.8373 86.67936 11.47540       124.2691 
1 1 1 6   9  21 o 391.0272 71.36344 5.094306       1.415029  4.869228       1.890047  5.381367       2.134480  384.8061 97.03570 397.2484 104.6663 -12.44229      142.7269 
1 1 1 6   10 0  o 2017.247 42.77195 103.3143       4.367374  105.5854       6.175052  101.0412       6.177748  2039.496 59.80454 1994.998 61.16514 44.49744       85.54389 
1 1 1 6   10 1  o 869.6846 39.72063 19.80633       1.636912  21.07376       2.039907  17.51439       2.743150  911.6757 44.19635 827.6935 66.01209 83.98218       79.44126 
1 1 1 6   10 2  o 2631.281 59.14818 175.2483       7.472029  172.6795       9.177104  180.3005       12.86995  2605.640 69.56770 2656.923 95.67845 -51.28271      118.2964 
1 1 1 6   10 3  f 1165.103 33.91688 34.46774       1.999074  32.76805       2.816520  36.19325       2.837835  1136.082 48.96883 1194.125 46.94116 -58.04321      67.83376 
1 1 1 6   10 4  o 1749.561 48.17803 78.67284       4.025547  76.15736       6.900489  79.97054       4.956314  1725.996 78.96898 1773.127 55.21224 -47.13098      96.35606 
1 1 1 6   10 5  o 1265.446 43.65971 40.54919       2.610391  41.85556       4.617583  39.93561       3.164590  1277.776 71.66924 1253.115 49.88186 24.66052       87.31941 
1 1 1 6   10 6  o 1864.378 50.33692 88.15853       4.442383  87.04078       5.383752  90.54325       7.863750  1848.884 57.51640 1879.872 82.62618 -30.98828      100.6738 
1 1 1 6   10 7  f 1025.771 34.51697 26.74799       1.791358  27.65276       2.521218  25.82558       2.545685  1043.381 47.72918 1008.161 49.87595 35.22003       69.03394 
1 1 1 6   10 8  o 487.0419 39.52635 6.117204       0.9532423 5.526575       1.337716  6.726513       1.358705  462.4325 58.44383 511.6513 53.23203 -49.21878      79.05270 
1 1 1 6   10 9  o 762.4980 34.59236 14.84208       1.328135  15.13440       1.882359  14.55228       1.874200  770.0570 48.53148 754.9391 49.30742 15.11786       69.18472 
1 1 1 6   10 10 o 1835.147 48.21946 83.79071       4.289564  78.29168       5.272952  94.55079       7.375960  1751.102 59.47834 1919.192 75.91306 -168.0903      96.43892 
1 1 1 6   10 11 o 1247.144 52.78580 39.71091       3.332862  0.000000       0.000000  39.71091       3.332862  ?        ?        1247.144 52.78580 ?              ?        
1 1 1 6   10 12 o 1404.028 47.79078 50.54873       3.130479  50.11773       3.762390  51.51845       5.643474  1399.831 53.08899 1408.226 79.48203 -8.394287      95.58155 
1 1 1 6   10 13 o 990.4240 36.62417 25.20607       1.829422  26.10766       2.605814  24.32980       2.568965  1008.094 51.22581 972.7538 52.35682 35.34033       73.24834 
1 1 1 6   10 14 f 1529.365 39.29530 60.40794       3.042382  59.76609       4.304622  61.04858       4.300535  1521.068 55.89883 1537.661 55.24312 -16.59314      78.59059 
1 1 1 6   10 15 o 1287.198 38.52553 43.02814       2.510260  43.15898       3.524509  42.89343       3.576141  1289.478 53.98846 1284.919 54.97373 4.558960       77.05106 
1 1 1 6   10 16 o 557.5303 58.51402 8.776267       1.463912  8.031831       2.579565  9.129917       1.777949  528.9286 99.99454 586.1321 60.80012 -57.20349      117.0280 
1 1 1 6   10 17 f 371.5275 76.30154 3.385695       1.330244  2.613434       1.506662  6.116165       2.833041  301.7536 91.03130 441.3015 122.4786 -139.5479      152.6031 
1 1 1 6   10 18 o 1047.986 39.00375 29.24607       2.061704  29.83667       2.951680  28.68342       2.880983  1058.217 55.28676 1037.755 55.03221 20.46167       78.00750 
1 1 1 6   10 19 o 793.3162 42.70453 17.27282       1.702180  17.02672       2.395259  17.52392       2.419415  787.4272 60.54794 799.2050 60.23832 -11.77777      85.40907 
1 1 1 6   10 20 o 608.7537 47.93142 10.56982       1.451634  10.23165       2.035630  10.91973       2.070659  598.1147 68.45795 619.3927 67.10583 -21.27802      95.86283 
1 1 1 6   10 21 o 202.4530 64.07993 0.2255301      1.336352  -0.5870578     2.291256  0.6444509      1.645146  200.1636 93.14803 204.7424 88.02496 -4.578735      128.1599 
1 1 1 6   11 0  o 1200.447 40.06193 37.05346       2.303161  37.90852       2.857025  35.46647       3.892283  1222.136 46.17543 1178.758 65.48026 43.37817       80.12386 
1 1 1 6   11 1  o 2501.810 67.30325 160.3251       8.523415  162.0889       12.17750  158.6311       11.93404  2515.154 95.63348 2488.465 94.72671 26.68921       134.6065 
1 1 1 6   11 2  o 1142.903 40.65331 32.25952       2.209644  36.30260       3.935293  30.39791       2.670327  1191.903 65.46654 1093.903 48.21719 98.00012       81.30661 
1 1 1 6   11 3  o 1902.829 56.28841 92.17066       5.422537  0.000000       0.000000  92.17066       5.422537  ?        ?        1902.829 56.28841 ?              ?        
1 1 1 6   11 4  o 2030.374 43.42088 105.1256       4.463088  106.3057       6.309584  103.9439       6.313939  2041.867 61.03650 2018.880 61.77407 22.98706       86.84175 
1 1 1 6   11 5  o 1177.957 33.79770 35.27748       2.015270  35.53775       2.831748  35.01038       2.868654  1182.411 47.30452 1173.503 48.28479 8.907593       67.59540 
1 1 1 6   11 6  o 1980.504 53.55016 101.4223       5.010355  96.71814       8.733974  103.7298       6.116965  1942.479 88.81203 2018.528 59.85736 -76.04846      107.1003 
1 1 1 6   11 7  o 3079.391 67.81251 241.9997       9.959066  239.1184       12.16083  247.8674       17.35421  3058.869 78.52696 3099.913 110.5788 -41.04468      135.6250 
1 1 1 6   11 8  o 883.2405 34.35909 19.91912       1.527909  20.86920       2.139287  18.92986       2.182953  905.0568 46.84892 861.4243 50.27293 43.63257       68.71819 
1 1 1 6   11 9  o 1301.299 43.15285 43.13135       2.697538  42.79058       3.330257  43.78152       4.600033  1296.413 50.74002 1306.185 69.81493 -9.771606      86.30570 
1 1 1 6   11 10 o 1168.262 43.67867 35.21271       2.459571  34.22320       4.108648  35.76536       3.070534  1152.353 70.76792 1184.171 51.21723 -31.81787      87.35733 
1 1 1 6   11 11 o 759.5574 47.20415 15.32200       1.662505  13.85174       2.877129  16.05898       2.037000  727.8039 79.37067 791.3109 51.11971 -63.50696      94.40830 
1 1 1 6   11 12 o 497.9944 57.43565 6.761436       1.203880  6.938391       1.395967  6.247885       2.378126  517.6617 54.06308 478.3271 101.3538 39.33459       114.8713 
1 1 1 6   11 13 o 552.3529 41.95396 7.970371       1.152631  8.235195       1.603968  7.687582       1.657480  562.5505 57.11023 542.1553 61.47326 20.39520       83.90793 
1 1 1 6   11 14 o 521.0291 43.37390 7.152757       1.118876  7.101146       1.524290  7.213052       1.647549  519.7385 58.97338 522.3196 63.61856 -2.581055      86.74780 
1 1 1 6   11 15 o 415.9814 59.22866 4.765994       1.193181  4.442875       1.566143  5.212993       1.842062  400.4811 80.04305 431.4818 87.32266 -31.00067      118.4573 
1 1 1 6   11 16 o 433.7976 77.71056 5.230594       1.643994  0.000000       0.000000  5.230594       1.643994  ?        ?        433.7976 77.71056 ?              ?        
1 1 1 6   11 17 o 799.3580 51.92527 17.02463       1.914993  16.21489       2.284837  18.93637       3.510725  779.5294 58.31723 819.1866 85.93042 -39.65723      103.8505 
1 1 1 6   11 18 o 482.4326 50.76487 6.556694       1.197163  6.432962       1.759209  6.663416       1.633824  475.5856 75.59396 489.2795 67.77788 -13.69394      101.5297 
1 1 1 6   11 19 o 178.6179 55.62090 0.4728074E-01  0.9697609 -0.3033594E-01 1.485492  0.1049262      1.280192  182.0883 80.80333 175.1475 76.45628 6.940826       111.2418 
1 1 1 6   11 20 o 222.4516 62.59652 1.160366       1.092844  0.4308735      1.599120  1.799631       1.496963  198.5712 86.07585 246.3321 90.90791 -47.76091      125.1930 
1 1 1 6   11 21 o 198.8835 62.36331 0.4796309      1.102946  0.1496671      2.350548  0.5727931      1.248981  212.7863 97.32931 184.9807 77.99831 27.80559       124.7266 
1 1 1 6   12 0  o 574.2368 43.19051 8.520897       1.231259  7.777359       1.749855  9.250009       1.732797  548.5472 64.22498 599.9265 57.76534 -51.37933      86.38103 
1 1 1 6   12 1  f 2782.247 74.73274 198.0414       10.52665  0.000000       0.000000  198.0414       10.52665  ?        ?        2782.247 74.73274 ?              ?        
1 1 1 6   12 2  o 923.1135 69.22075 21.89599       3.211451  0.000000       0.000000  21.89599       3.211451  ?        ?        923.1135 69.22075 ?              ?        
1 1 1 6   12 3  o 1397.500 51.48136 49.70253       3.642382  0.000000       0.000000  49.70253       3.642382  ?        ?        1397.500 51.48136 ?              ?        
1 1 1 6   12 4  o 660.8968 34.12830 11.17385       1.131399  12.06318       1.605902  10.29739       1.594241  687.4067 46.41660 634.3869 50.04459 53.01978       68.25659 
1 1 1 6   12 5  o 1184.539 35.03334 35.69878       2.098523  37.40530       2.954013  33.96013       2.981699  1213.286 48.09121 1155.792 50.95659 57.49304       70.06667 
1 1 1 6   12 6  f 1521.225 45.67590 57.67465       3.306710  62.74957       5.871099  55.31690       4.001788  1567.581 73.97854 1474.870 53.59408 92.71155       91.35179 
1 1 1 6   12 7  o 985.5972 43.87575 24.60320       1.984701  24.29701       2.356592  25.35025       3.680969  977.7960 47.60500 993.3984 73.71627 -15.60236      87.75150 
1 1 1 6   12 8  o 1147.579 34.77901 33.51378       2.019788  34.73758       2.864820  32.30424       2.848077  1168.503 48.42660 1126.655 49.93177 41.84778       69.55801 
1 1 1 6   12 9  o 1075.821 41.32360 29.35638       2.152681  28.69054       2.675847  30.57782       3.624213  1060.999 49.81529 1090.643 65.94692 -29.64417      82.64720 
1 1 1 6   12 10 o 648.1802 43.85624 11.18584       1.357272  9.591990       2.164308  12.21895       1.742491  606.2964 71.91181 690.0640 50.22120 -83.76758      87.71247 
1 1 1 6   12 11 o 687.8339 53.91541 12.83941       1.587756  11.44174       3.052944  13.35760       1.858935  654.7436 94.86446 720.9242 51.26617 -66.18060      107.8308 
1 1 1 6   12 12 o 301.4748 70.11802 1.914472       0.9792306 1.667500       1.068230  3.214093       2.450469  252.0894 76.78564 350.8601 117.3461 -98.77072      140.2360 
1 1 1 6   12 13 o 261.2487 54.78304 1.781879       0.8000438 2.442138       1.157599  1.178117       1.106964  299.1954 76.21124 223.3020 78.71832 75.89340       109.5661 
1 1 1 6   12 14 o 180.1430 52.36024 0.3414566      0.7666168 0.4405366      1.112723  0.2519349      1.057689  185.9530 75.54649 174.3329 72.51972 11.62015       104.7205 
1 1 1 6   12 15 o 522.2147 50.70174 7.427461       1.277287  7.531236       1.660146  7.276917       1.999546  530.6736 63.02460 513.7559 79.43908 16.91766       101.4035 
1 1 1 6   12 16 o 234.8516 81.17997 1.436340       1.174209  0.000000       0.000000  1.436340       1.174209  ?        ?        234.8516 81.17997 ?              ?        
1 1 1 6   12 17 o 370.2071 75.03712 4.380193       1.396444  4.635736       1.593567  3.534719       2.898601  401.4931 81.18893 338.9211 126.2166 62.57208       150.0742 
1 1 1 6   12 18 o 442.5069 55.17009 5.721060       1.168978  3.945620       1.609383  7.703853       1.700768  359.5499 88.91135 525.4639 65.34317 -165.9140      110.3402 
1 1 1 6   12 19 o 390.0485 57.20127 4.723379       1.117195  6.911138       1.603016  2.657145       1.557858  492.1369 66.00109 287.9600 93.44408 204.1770       114.4025 
1 1 1 6   12 20 o 183.3340 57.48003 0.8792266E-01  1.064625  0.3780419      1.512307  -0.1971120     1.498996  191.7155 83.40547 174.9526 79.11601 16.76288       114.9601 
1 1 1 6   12 21 o 231.6290 89.40226 1.676205       1.485646  0.000000       0.000000  1.676205       1.485646  ?        ?        231.6290 89.40226 ?              ?        
1 1 1 6   13 0  o 2144.354 45.46854 117.3958       4.935973  116.0692       6.976072  118.7258       6.984975  2132.131 64.62692 2156.577 63.97587 -24.44653      90.93707 
1 1 1 6   13 1  o 2073.008 84.50561 110.3624       8.868909  0.000000       0.000000  110.3624       8.868909  ?        ?        2073.008 84.50561 ?              ?        
1 1 1 6   13 2  o 1294.566 68.70679 42.92621       4.486937  0.000000       0.000000  42.92621       4.486937  ?        ?        1294.566 68.70679 ?              ?        
1 1 1 6   13 3  o 247.3887 59.78366 1.621339       0.7404348 0.000000       0.000000  1.621339       0.7404348 ?        ?        247.3887 59.78366 ?              ?        
1 1 1 6   13 4  o 907.9250 49.05258 21.01109       2.246369  0.000000       0.000000  21.01109       2.246369  ?        ?        907.9250 49.05258 ?              ?        
1 1 1 6   13 5  o 1485.054 37.37669 56.09387       2.809431  57.61367       3.977486  54.58069       3.968799  1505.217 52.19465 1464.891 53.51434 40.32556       74.75337 
1 1 1 6   13 6  o 957.7504 41.96137 22.57318       1.887200  25.88024       3.440414  21.14982       2.257078  1004.718 68.03786 910.7832 49.13121 93.93445       83.92274 
1 1 1 6   13 7  o 213.6393 54.25076 1.050694       0.7647362 1.561743       0.8234728 -2.153140      2.061830  243.1734 65.44542 184.1051 86.54176 59.06831       108.5015 
1 1 1 6   13 8  o 264.9902 49.98982 1.836989       0.6843147 1.539495       0.9222984 2.201350       1.020700  242.6419 70.73482 287.3385 70.65773 -44.69664      99.97964 
1 1 1 6   13 9  o 783.8352 34.85446 15.70336       1.371725  14.06945       1.895457  17.50008       1.987649  740.6575 50.85717 827.0129 47.67475 -86.35541      69.70892 
1 1 1 6   13 10 o 1196.941 43.37313 36.97847       2.502469  36.40907       4.195461  37.29292       3.117818  1186.144 70.17706 1207.738 50.99110 -21.59436      86.74625 
1 1 1 6   13 11 o 678.6343 36.99247 11.86265       1.260253  11.61551       1.743071  12.13334       1.824232  671.3405 51.68208 685.9281 52.94086 -14.58759      73.98495 
1 1 1 6   13 12 o 739.9966 37.50733 14.16884       1.393919  15.08010       1.982239  13.27743       1.960538  764.0953 51.54311 715.8979 54.50237 48.19733       75.01466 
1 1 1 6   13 13 o 266.6032 55.64618 1.895415       0.8131090 2.391805       1.186320  1.455610       1.116659  294.9083 78.18747 238.2981 79.20042 56.61018       111.2924 
1 1 1 6   13 14 o 263.2917 55.54558 1.805315       0.8252200 2.678638       1.234058  1.098919       1.109870  309.7935 78.56676 216.7900 78.53986 93.00348       111.0912 
1 1 1 6   13 15 o 706.6080 38.12757 13.16973       1.353132  12.77584       1.911599  13.56528       1.915644  695.5390 54.72856 717.6770 53.10019 -22.13800      76.25513 
1 1 1 6   13 16 o 498.7954 46.63367 6.738191       1.143261  7.605064       1.709000  6.036024       1.538101  528.3154 65.28365 469.2754 66.60962 59.03995       93.26733 
1 1 1 6   13 17 o 182.0661 53.82772 0.2535823      0.8460224 0.8802785      1.257611  -0.2644858     1.143435  206.7966 81.54485 157.3356 70.28606 49.46101       107.6554 
1 1 1 6   13 18 f 281.4019 63.49236 2.456940       1.019114  2.474663       1.485590  2.441186       1.400647  281.8818 91.22888 280.9220 88.33124 0.9598083      126.9847 
1 1 1 6   13 19 o 223.5355 62.22900 1.300936       1.020291  1.320955       1.619485  1.287760       1.313814  227.7908 91.63126 219.2801 84.22296 8.510788       124.4580 
1 1 1 6   13 20 o 263.8793 65.46015 2.310754       1.191547  3.242928       1.529298  0.8705661      1.900873  310.9294 91.21117 216.8292 93.91830 94.10020       130.9203 
1 1 1 6   14 0  o 852.4000 37.11126 18.43806       1.601521  0.000000       0.000000  18.43806       1.601521  ?        ?        852.4000 37.11126 ?              ?        
1 1 1 6   14 1  o 173.5978 80.45759 -1.425680      1.682859  0.000000       0.000000  -1.425680      1.682859  ?        ?        173.5978 80.45759 ?              ?        
1 1 1 6   14 2  o 1335.278 45.17964 45.36499       2.836069  45.95492       5.041399  45.09187       3.430345  1338.882 74.67204 1331.674 50.88108 7.208496       90.35928 
1 1 1 6   14 3  o 952.3683 53.91308 23.39012       2.566190  25.82477       3.634682  20.97026       3.623625  1003.023 72.05696 901.7141 80.21394 101.3085       107.8262 
1 1 1 6   14 4  o 1688.926 54.72773 72.93204       4.673940  73.78976       6.794494  72.16158       6.439668  1697.966 79.03957 1679.885 75.71819 18.08020       109.4555 
1 1 1 6   14 5  o 1628.403 45.78673 67.24755       3.605635  69.07442       6.112432  66.27262       4.465255  1643.389 73.46661 1613.416 54.66586 29.97314       91.57346 
1 1 1 6   14 6  o 2126.038 52.46873 115.1250       5.373822  118.1936       9.180718  113.5257       6.627888  2143.529 84.59870 2108.546 62.08810 34.98267       104.9375 
1 1 1 6   14 7  o 205.7286 55.52880 0.7736616      0.6674414 0.6441166      1.579364  0.8018274      0.7364337 225.4277 90.55657 186.0294 64.29074 39.39822       111.0576 
1 1 1 6   14 8  o 589.6484 41.17363 9.178984       1.162940  9.797177       1.487124  8.205810       1.865865  617.9349 47.91034 561.3618 66.97516 56.57312       82.34727 
1 1 1 6   14 9  o 1257.416 42.85686 40.15356       2.607459  42.36937       4.415993  38.96754       3.230780  1280.481 68.36678 1234.350 51.69938 46.13074       85.71371 
1 1 1 6   14 10 o 642.3816 37.11843 10.65547       1.194965  10.96475       1.664908  10.32687       1.716127  652.4456 50.80421 632.3176 54.12988 20.12799       74.23686 
1 1 1 6   14 11 o 500.8651 41.05941 6.562842       1.019547  6.198010       1.454111  6.915631       1.429909  486.3718 60.35022 515.3583 55.68978 -28.98657      82.11882 
1 1 1 6   14 12 o 710.6729 47.15059 12.88468       1.561981  14.50889       2.829487  12.17276       1.873284  737.4901 76.91399 683.8557 54.56143 53.63446       94.30118 
1 1 1 6   14 13 o 332.3315 71.03467 2.156296       1.060025  1.521048       1.162353  5.295099       2.583736  242.0066 80.81954 422.6565 116.8413 -180.6498      142.0693 
1 1 1 6   14 14 o 658.7397 52.81252 11.75663       1.724220  12.77421       2.570960  10.92483       2.324462  684.2454 75.47212 633.2340 73.89591 51.01135       105.6250 
1 1 1 6   14 15 o 442.0419 60.29405 5.924113       1.242568  4.380250       2.027122  6.853334       1.572661  381.1339 102.7272 502.9500 63.15542 -121.8161      120.5881 
1 1 1 6   14 16 o 415.4302 53.88024 4.898225       1.085768  4.995270       1.627848  4.820451       1.457287  416.9524 80.02596 413.9081 72.16763 3.044312       107.7605 
1 1 1 6   14 17 o 308.8097 69.26231 2.801842       1.097492  3.430413       2.230834  2.601132       1.260593  323.0428 111.8817 294.5766 81.67961 28.46613       138.5246 
1 1 1 6   14 18 o 236.8734 62.08627 1.557568       0.9888101 1.151650       1.309522  2.096008       1.508210  213.9881 83.56050 259.7586 91.85020 -45.77052      124.1725 
1 1 1 6   14 19 o 349.7576 71.68205 4.444213       1.396881  3.303150       2.242012  5.168208       1.785874  300.5761 111.1886 398.9391 90.50056 -98.36298      143.3641 
1 1 1 6   14 20 o 307.3749 75.94995 3.805259       1.496759  4.146134       1.744704  2.855090       2.912896  341.7141 96.57058 273.0358 117.2506 68.67831       151.8999 
1 1 1 6   15 0  o 1090.118 39.49302 30.16641       2.179603  0.000000       0.000000  30.16641       2.179603  ?        ?        1090.118 39.49302 ?              ?        
1 1 1 6   15 1  o 1876.918 54.07800 92.54562       4.737989  83.92258       8.283938  96.73782       5.775998  1805.037 90.94182 1948.798 58.54320 -143.7609      108.1560 
1 1 1 6   15 2  o 248.0227 59.66386 1.131949       0.6208811 2.047954       1.894608  1.021741       0.6571710 296.5583 103.0837 199.4870 60.10700 97.07132       119.3277 
1 1 1 6   15 3  o 1466.741 55.47870 55.29877       4.099726  58.44014       5.807689  52.17852       5.788137  1508.987 76.26846 1424.496 80.58949 84.49158       110.9574 
1 1 1 6   15 4  f 757.7544 48.83390 14.66922       1.863438  0.000000       0.000000  14.66922       1.863438  ?        ?        757.7544 48.83390 ?              ?        
1 1 1 6   15 5  o 754.4148 56.00133 14.77815       2.099503  14.68742       2.850019  14.88581       3.104577  752.6579 75.82677 756.1718 82.43118 -3.513855      112.0027 
1 1 1 6   15 6  o 892.6217 40.15814 20.26448       1.758881  19.67902       2.233666  21.21995       2.853520  876.9716 50.52319 908.2719 62.43485 -31.30035      80.31628 
1 1 1 6   15 7  o 372.9013 58.24809 3.546489       0.9773104 4.166894       1.886045  3.318754       1.142690  391.9213 95.84897 353.8814 66.21432 38.03989       116.4962 
1 1 1 6   15 8  o 634.7902 64.53210 10.47099       2.045072  10.47099       2.045072  0.000000       0.000000  634.7902 64.53210 ?        ?        ?              ?        
1 1 1 6   15 9  o 623.0851 43.15412 10.08685       1.311446  10.07340       2.088458  10.09561       1.685112  620.9741 67.51871 625.1960 53.76184 -4.221924      86.30824 
1 1 1 6   15 10 o 1283.069 36.45893 42.30208       2.366470  44.24031       3.349195  40.36964       3.344199  1312.848 50.38976 1253.289 52.70567 59.55920       72.91787 
1 1 1 6   15 11 o 328.7112 48.21829 2.908418       0.7747778 3.154919       1.141357  2.697760       1.055120  341.8036 68.34541 315.6189 68.03617 26.18463       96.43658 
1 1 1 6   15 12 f 481.6705 63.69759 6.393014       1.252983  6.552772       2.678166  6.348247       1.417711  473.2913 113.2794 490.0497 58.28634 -16.75842      127.3952 
1 1 1 6   15 13 o 313.9005 69.96301 2.483828       1.103482  2.125360       1.264762  3.626640       2.258245  276.3455 83.41251 351.4554 112.3461 -75.10992      139.9260 
1 1 1 6   15 14 o 512.0916 50.66853 7.080151       1.258310  5.672395       1.670404  8.926994       1.913255  451.0883 75.83430 573.0948 67.21874 -122.0065      101.3371 
1 1 1 6   15 15 o 190.3964 57.46824 0.2848319      0.9082976 0.3453393      1.667444  0.2593028      1.083092  207.9042 88.98009 172.8887 72.75256 35.01546       114.9365 
1 1 1 6   15 16 o 243.9519 68.34901 1.368830       1.137737  1.472334       2.279570  1.334494       1.312960  259.5038 107.0824 228.4000 84.96886 31.10385       136.6980 
1 1 1 6   15 17 o 309.7710 66.38641 3.260441       1.234454  1.627891       2.053559  4.184165       1.544704  250.8994 102.3594 368.6425 84.56461 -117.7430      132.7728 
1 1 1 6   15 18 o 461.4387 77.95777 7.812597       1.666171  8.011885       1.932534  7.235433       3.288798  515.5875 76.34322 407.2899 135.9462 108.2976       155.9155 
1 1 1 6   15 19 o 263.0912 68.44453 2.360625       1.209831  2.625648       1.590697  1.996945       1.863398  276.5028 94.53461 249.6796 99.00414 26.82323       136.8891 
1 1 1 6   16 0  o 1745.488 48.24919 79.00433       3.611518  75.78304       7.367628  80.02316       4.143468  1717.036 84.75489 1773.940 46.13616 -56.90454      96.49837 
1 1 1 6   16 1  o 769.0205 45.42271 15.24201       1.586285  15.12722       2.935207  15.28937       1.885323  764.3570 76.89414 773.6841 48.37541 -9.327087      90.84541 
1 1 1 6   16 2  o 933.7667 46.47355 22.41088       1.957924  22.37775       3.688555  22.42388       2.310261  930.2159 79.07269 937.3176 48.85361 -7.101746      92.94711 
1 1 1 6   16 3  o 407.9623 69.88560 4.390409       1.664946  7.965028       2.331896  0.6731723      2.377959  549.3362 86.72480 266.5884 109.6120 282.7479       139.7712 
1 1 1 6   16 4  o 1856.521 51.97511 88.74522       4.555972  88.23740       8.032125  88.98610       5.531998  1847.372 85.88010 1865.671 58.56840 -18.29895      103.9502 
1 1 1 6   16 5  o 1374.271 45.12165 48.35655       2.926409  48.97259       5.162408  48.06486       3.552295  1376.496 74.35457 1372.046 51.13953 4.449951       90.24330 
1 1 1 6   16 6  o 1305.176 35.39088 43.63460       2.331626  47.07736       3.279295  40.11467       3.315842  1357.930 47.70012 1252.423 52.29490 105.5073       70.78176 
1 1 1 6   16 7  o 290.2880 56.23013 1.481528       0.6923263 3.898664       1.740763  1.027354       0.7545714 378.4991 91.78872 202.0769 64.97802 176.4222       112.4603 
1 1 1 6   16 8  o 529.8500 64.03738 7.725719       1.485784  7.962584       1.760858  7.140221       2.768456  551.9841 64.21054 507.7159 110.8158 44.26819       128.0748 
1 1 1 6   16 9  o 309.1761 47.58491 2.554938       0.7247880 2.120175       0.9914678 3.053940       1.062193  280.2024 70.07329 338.1500 64.39742 -57.94760      95.16982 
1 1 1 6   16 10 o 1054.086 42.23526 28.24622       2.172626  26.39732       2.711900  31.55943       3.630301  1009.856 53.23133 1098.315 65.58730 -88.45905      84.47052 
1 1 1 6   16 11 o 767.2321 43.63587 15.70401       1.623294  14.60673       2.595086  16.40935       2.080605  740.5523 70.04897 793.9118 52.05284 -53.35950      87.27174 
1 1 1 6   16 12 o 560.2771 58.10467 8.325145       1.624189  0.000000       0.000000  8.325145       1.624189  ?        ?        560.2771 58.10467 ?              ?        
1 1 1 6   16 13 o 457.6439 71.21588 7.110854       1.360856  7.787090       1.520384  4.386233       3.051807  540.5932 56.38155 374.6946 130.7973 165.8986       142.4318 
1 1 1 6   16 14 o 200.8797 61.57439 -0.2232874     0.9909819 1.408171       2.073001  -0.7065535     1.128248  257.4553 103.6330 144.3041 66.52690 113.1513       123.1488 
1 1 1 6   16 15 o 331.4494 69.16888 3.673803       1.287262  4.318748       1.496794  1.841791       2.522697  385.5570 79.32768 277.3417 113.3334 108.2153       138.3378 
1 1 1 6   16 16 o 518.0612 68.76021 8.724458       1.507835  9.114532       1.758010  7.638998       2.932613  572.5233 61.62251 463.5992 122.9412 108.9241       137.5204 
1 1 1 6   16 17 o 269.0830 79.28178 2.231558       1.821037  2.792768       2.319459  1.329752       2.940224  284.5005 111.1772 253.6655 113.0577 30.83501       158.5636 
1 1 1 6   16 18 o 642.8020 72.53051 13.99779       1.834695  14.04905       2.092176  13.82713       3.817386  702.5663 59.37634 583.0376 132.3524 119.5287       145.0610 
1 1 1 6   16 19 o 252.4960 68.97356 2.161308       1.201938  1.957533       1.471397  2.569976       2.083718  241.8365 89.95309 263.1555 104.5842 -21.31900      137.9471 
1 1 1 6   17 0  o 1009.045 30.72618 25.37299       1.527445  28.22182       2.516651  23.71153       1.921916  1052.441 47.23258 965.6497 39.31255 86.79083       61.45237 
1 1 1 6   17 1  o 1865.820 46.45557 88.30556       3.739456  91.15105       7.700471  87.42746       4.277706  1879.035 80.94664 1852.604 45.60837 26.43042       92.91115 
1 1 1 6   17 2  o 886.5322 56.51960 20.52835       2.490221  17.80798       3.510780  23.28285       3.532731  825.0949 85.27608 947.9695 74.20142 -122.8746      113.0392 
1 1 1 6   17 3  o 240.5944 70.06523 0.2425404      1.435062  1.454315       2.061825  -0.8960763     1.998617  276.7314 105.6943 204.4573 92.00682 72.27415       140.1305 
1 1 1 6   17 4  o 982.9188 54.41033 25.11667       2.682360  24.58084       3.683955  25.72128       3.913282  972.2338 75.43513 993.6039 78.43135 -21.37012      108.8207 
1 1 1 6   17 5  o 634.0790 56.04807 11.88787       1.459647  7.971885       2.681947  13.53601       1.739905  541.8413 101.4973 726.3166 47.57982 -184.4753      112.0961 
1 1 1 6   17 6  o 79.89720 26.69967 -0.2369183     0.1770007 -0.1452927     0.4945679 -0.2503782     0.1895561 106.4956 46.97149 53.29884 25.40018 53.19672       53.39935 
1 1 1 6   17 7  o 269.9268 42.71944 2.065544       0.5958125 2.994692       0.8050531 0.9402606      0.8859574 338.6664 48.32400 201.1872 70.45988 137.4792       85.43889 
1 1 1 6   17 8  o 598.1246 45.03895 9.372881       1.341213  8.881807       1.892571  9.868329       1.900980  581.6816 65.40019 614.5675 61.94225 -32.88586      90.07790 
1 1 1 6   17 9  o 173.9656 44.19946 0.5220281      0.5476832 1.173102       0.7712192 -0.1403852     0.7779060 211.8145 65.37330 136.1168 59.50380 75.69769       88.39893 
1 1 1 6   17 10 o 465.8929 41.95457 5.771796       0.9620082 6.029926       1.320113  5.479483       1.404804  478.4610 55.53065 453.3248 62.90540 25.13620       83.90913 
1 1 1 6   17 11 o 421.3127 68.56385 5.134699       1.240423  4.978991       2.656346  5.178121       1.402757  404.8216 120.5905 437.8038 65.28354 -32.98215      137.1277 
1 1 1 6   17 12 o 499.2073 66.90503 7.097125       1.521293  7.565401       2.732800  6.886847       1.831278  499.5873 110.9364 498.8274 74.82145 0.7598572      133.8101 
1 1 1 6   17 13 o 307.9044 75.05883 2.707594       1.159431  2.707594       1.159431  0.000000       0.000000  307.9044 75.05883 ?        ?        ?              ?        
1 1 1 6   17 14 o 276.3696 62.25292 2.253118       0.9917047 1.871508       1.480787  2.563479       1.335416  258.4363 91.05119 294.3028 84.91988 -35.86649      124.5058 
1 1 1 6   17 15 o 396.9933 55.67767 4.624598       1.078269  3.476351       1.472726  5.951323       1.583051  337.6200 85.94035 456.3667 70.81149 -118.7467      111.3553 
1 1 1 6   17 16 o 566.2393 49.53196 9.337045       1.370723  7.835326       1.914070  10.91794       1.963881  512.6719 76.05112 619.8066 63.48139 -107.1348      99.06392 
1 1 1 6   17 17 o 253.0198 62.01375 1.875523       1.046795  0.7199587      1.414057  3.276582       1.557034  195.9579 82.82954 310.0817 92.31516 -114.1238      124.0275 
1 1 1 6   17 18 f 315.0065 69.05224 4.230848       1.480265  5.187066       1.651110  0.3143632      3.341534  398.4404 84.47371 231.5726 109.2568 166.8678       138.1045 
1 1 1 6   17 19 o 214.5374 61.45634 1.426035       1.050464  1.039669       1.515350  1.783463       1.457498  200.9951 85.39244 228.0798 88.40620 -27.08461      122.9127 
1 1 1 6   18 0  o 808.3110 48.56643 17.30363       1.672934  16.27732       3.348596  17.64499       1.931213  786.4435 85.47948 830.1786 46.13078 -43.73511      97.13285 
1 1 1 6   18 1  o 378.7103 53.66314 2.999573       0.8080602 5.470200       1.970115  2.499874       0.8860173 450.3202 89.56693 307.1005 59.13287 143.2197       107.3263 
1 1 1 6   18 2  o 790.0731 59.18053 16.42935       2.331126  16.47971       3.299004  16.37914       3.294422  791.3230 83.61279 788.8232 83.77495 2.499756       118.3611 
1 1 1 6   18 3  o 878.1848 56.90338 20.24483       2.498634  21.34229       3.539746  19.15495       3.527489  902.9454 78.20541 853.4241 82.67945 49.52130       113.8068 
1 1 1 6   18 4  o 584.2538 66.09135 9.316301       1.855795  10.10063       2.475217  8.309409       2.804500  617.4021 81.15457 551.1055 104.3370 66.29663       132.1827 
1 1 1 6   18 5  o 1593.848 45.95571 64.80124       3.467769  68.18399       6.164066  63.23487       4.194488  1618.197 75.24060 1569.499 52.78789 48.69800       91.91142 
1 1 1 6   18 6  o 313.1635 64.53896 2.015113       0.7932639 3.767911       2.259046  1.768584       0.8472152 369.9004 111.4392 256.4267 65.13388 113.4737       129.0779 
1 1 1 6   18 7  o 619.1471 42.05711 10.05919       1.279467  9.706071       1.976176  10.31404       1.678845  607.7697 65.24582 630.5245 53.08657 -22.75476      84.11421 
1 1 1 6   18 8  o 1088.555 47.48647 31.79085       2.387584  29.26917       4.228762  32.97088       2.892777  1046.916 80.39831 1130.195 50.55663 -83.27820      94.97295 
1 1 1 6   18 9  o 869.3420 45.87032 19.63514       1.853187  20.95142       3.360695  19.06001       2.221457  883.1387 75.90271 855.5452 51.52788 27.59351       91.74063 
1 1 1 6   18 10 o 450.3866 66.43134 5.404323       1.160101  5.185154       1.274569  6.462718       2.800898  440.5082 58.60563 460.2650 119.2387 -19.75681      132.8627 
1 1 1 6   18 11 o 293.3453 70.69699 1.755584       0.9578834 1.389576       1.035399  3.929080       2.523143  228.6163 76.27773 358.0743 119.0545 -129.4580      141.3940 
1 1 1 6   18 12 o 252.5039 55.84773 1.796094       0.7933900 1.861531       1.117893  1.729682       1.126199  256.4046 78.63575 248.6031 79.32399 7.801483       111.6955 
1 1 1 6   18 13 o 437.3301 51.16438 5.216612       1.072500  4.425148       1.363350  6.501623       1.737182  395.6375 70.65791 479.0226 74.01778 -83.38504      102.3288 
1 1 1 6   18 14 o 447.6014 58.44683 5.977059       1.243601  5.732096       1.981057  6.136370       1.597601  430.7860 93.51740 464.4169 70.13290 -33.63092      116.8937 
1 1 1 6   18 15 o 225.5284 60.71870 1.244164       0.9923356 0.5188681      1.346394  2.106702       1.468261  190.6139 80.71095 260.4430 90.73468 -69.82904      121.4374 
1 1 1 6   18 16 o 213.5683 68.39845 0.5209455      1.323189  0.4981708      1.469802  0.6183219      3.039205  190.8286 82.62086 236.3080 109.0284 -45.47943      136.7969 
1 1 1 6   18 17 o 433.1890 64.38849 6.360875       1.331536  6.204510       2.167226  6.455691       1.687630  411.1075 104.0390 455.2705 75.89063 -44.16302      128.7770 
1 1 1 6   18 18 o 356.4941 71.65561 4.820621       1.329795  4.607980       1.680273  5.177055       2.175436  359.3247 91.97654 353.6636 109.9019 5.661163       143.3112 
1 1 1 6   19 0  o 1531.691 37.55216 60.20940       2.911831  60.96591       4.142465  59.47054       4.093867  1541.207 53.09019 1522.175 53.12336 19.03186       75.10432 
1 1 1 6   19 1  o 783.6439 43.51507 15.65720       1.539942  16.56831       2.927001  15.30848       1.810817  795.1786 73.53957 772.1091 46.54220 23.06958       87.03014 
1 1 1 6   19 2  o 582.4069 69.64416 9.231997       1.979015  9.470714       2.770972  8.983463       2.827379  591.2804 95.84800 573.5334 101.0663 17.74701       139.2883 
1 1 1 6   19 3  o 1126.302 57.06687 33.60798       3.195976  38.89265       4.514042  28.29629       4.525566  1219.764 73.44051 1032.841 87.36706 186.9233       114.1337 
1 1 1 6   19 4  o 391.3916 70.58663 3.637812       1.550965  1.144591       1.988718  7.508353       2.477870  259.4843 102.4730 523.2989 97.10397 -263.8145      141.1733 
1 1 1 6   19 5  o 378.0281 56.28119 3.390972       0.9056177 4.962123       1.944739  2.955919       1.023348  423.6884 93.19633 332.3679 63.12475 91.32053       112.5624 
1 1 1 6   19 6  o 635.4612 50.77127 9.836219       1.488786  13.18858       2.806607  8.523547       1.756241  701.5886 80.47153 569.3338 61.92916 132.2548       101.5425 
1 1 1 6   19 7  o 516.7390 62.85392 7.079574       1.610458  7.079574       1.610458  0.000000       0.000000  516.7390 62.85392 ?        ?        ?              ?        
1 1 1 6   19 8  o 255.1085 73.31242 1.077095       1.482768  1.683230       1.792392  -0.2370653     2.639202  266.6291 99.26032 243.5879 107.9177 23.04120       146.6248 
1 1 1 6   19 9  o 263.5458 67.86028 1.036676       0.7780657 0.7734010      0.8197659 3.428737       2.470991  184.6351 67.40598 342.4566 117.7986 -157.8215      135.7206 
1 1 1 6   19 10 o 788.2599 36.54333 16.37159       1.449141  15.60075       2.006360  17.21231       2.095323  768.7090 51.85720 807.8107 51.50234 -39.10162      73.08667 
1 1 1 6   19 11 o 275.0540 52.98994 2.161406       0.7622445 2.475048       1.089203  1.860370       1.067090  294.2883 73.36292 255.8196 76.48279 38.46869       105.9799 
1 1 1 6   19 12 o 243.1529 50.19503 1.373779       0.7478408 0.2316435      0.9757801 2.999609       1.164208  163.5599 68.95268 322.7458 72.96364 -159.1859      100.3901 
1 1 1 6   19 13 o 324.0604 79.90251 3.135759       1.302620  0.000000       0.000000  3.135759       1.302620  ?        ?        324.0604 79.90251 ?              ?        
1 1 1 6   19 14 o 250.1173 71.68024 1.620178       1.174457  1.643526       1.276722  1.491701       2.994899  237.0499 84.43411 263.1847 115.8581 -26.13474      143.3605 
1 1 1 6   19 15 o 519.6782 50.99161 8.181465       1.266629  9.882513       1.775017  6.416603       1.808005  587.5955 60.53442 451.7609 82.07411 135.8346       101.9832 
1 1 1 6   19 16 o 489.8020 55.23672 7.716578       1.277208  9.248026       1.744691  5.948184       1.874810  561.4851 62.43290 418.1188 91.14007 143.3663       110.4734 
1 1 1 6   19 17 o 192.0490 57.71539 0.6965345      1.042217  1.421902       1.320117  -0.5036402     1.698070  214.6036 83.87105 169.4944 79.30898 45.10919       115.4308 
1 1 1 6   19 18 o 347.7153 76.38984 5.496780       1.540946  4.656593       2.374043  6.108462       2.025644  305.3540 114.1257 390.0766 101.5724 -84.72260      152.7797 
1 1 1 6   20 0  o 495.1307 57.02315 5.973627       1.162955  7.804276       2.555052  5.495271       1.306088  532.3930 98.41988 457.8684 57.62019 74.52460       114.0463 
1 1 1 6   20 1  o 796.8245 52.04785 16.41340       2.088126  0.000000       0.000000  16.41340       2.088126  ?        ?        796.8245 52.04785 ?              ?        
1 1 1 6   20 2  o 343.3040 78.14712 3.007057       1.680088  4.844830       2.344402  1.066744       2.408919  413.8391 110.0067 272.7689 111.0243 141.0703       156.2942 
1 1 1 6   20 3  o 795.4581 61.89753 17.13212       2.423436  19.59947       3.420036  14.64382       3.434521  857.8996 79.65169 733.0167 94.76721 124.8829       123.7951 
1 1 1 6   20 4  o 521.1344 73.04185 7.571350       1.840526  7.189124       2.413380  8.102690       2.845455  507.8960 97.40094 534.3728 108.8738 -26.47684      146.0837 
1 1 1 6   20 5  o 822.5519 81.42446 18.24511       3.346261  18.24511       3.346261  0.000000       0.000000  822.5519 81.42446 ?        ?        ?              ?        
1 1 1 6   20 6  o 428.3605 57.77908 4.875381       1.221067  0.000000       0.000000  4.875381       1.221067  ?        ?        428.3605 57.77908 ?              ?        
1 1 1 6   20 7  o 231.8788 44.85296 1.493363       0.5673851 1.990569       0.7662474 0.8898262      0.8442143 270.5046 57.71096 193.2530 68.67749 77.25160       89.70592 
1 1 1 6   20 8  o 807.1630 48.13707 17.75056       1.813702  17.18654       3.153244  18.02942       2.217179  787.5483 80.20484 826.7776 53.25309 -39.22931      96.27413 
1 1 1 6   20 9  o 441.8945 69.68768 5.757845       1.198036  5.735657       1.312250  5.868919       2.936061  461.3798 57.42141 422.4091 126.9971 38.97067       139.3754 
1 1 1 6   20 10 o 526.9568 39.48249 7.477933       1.034737  6.864886       1.441656  8.129301       1.486031  503.4968 57.59239 550.4169 54.02392 -46.92004      78.96497 
1 1 1 6   20 11 o 595.5444 40.83799 9.658102       1.211889  10.49121       1.722048  8.840635       1.705807  622.9783 55.17010 568.1105 60.22646 54.86774       81.67598 
1 1 1 6   20 12 o 493.5328 49.95629 7.115479       1.165722  7.897127       1.530070  6.034051       1.799718  536.4368 57.22214 450.6288 81.90329 85.80804       99.91257 
1 1 1 6   20 13 o 416.8349 75.02515 5.158694       1.525046  0.000000       0.000000  5.158694       1.525046  ?        ?        416.8349 75.02515 ?              ?        
1 1 1 6   20 14 o 250.7485 88.47751 2.034779       1.398772  2.034779       1.398772  0.000000       0.000000  250.7485 88.47751 ?        ?        ?              ?        
1 1 1 6   20 15 o 255.7406 60.25109 2.146139       0.9673894 1.235353       1.341804  3.131978       1.395995  209.2437 83.67558 302.2375 86.71317 -92.99377      120.5022 
1 1 1 6   20 16 o 199.0926 57.42596 0.9590304      0.9481381 0.2463177      1.327542  1.701100       1.354607  171.6353 76.26508 226.5500 85.87550 -54.91469      114.8519 
1 1 1 6   20 17 o 175.9238 53.48096 0.2359438      0.9316671 1.557390       1.346885  -0.9764262     1.290101  214.6922 84.47500 137.1554 65.61120 77.53676       106.9619 
1 1 1 6   21 0  o 293.4759 62.41047 2.611681       0.9652516 0.4248679      2.381381  3.041595       1.055878  251.1868 106.8896 335.7650 64.45840 -84.57814      124.8209 
1 1 1 6   21 1  o 919.2866 56.83899 23.69423       2.274556  20.42355       4.255854  25.00204       2.691153  858.4036 99.79126 980.1696 54.44616 -121.7660      113.6780 
1 1 1 6   21 2  o 931.1754 60.13446 23.40327       2.794375  21.12487       3.817384  26.03355       4.101591  881.0666 86.70329 981.2841 83.34958 -100.2175      120.2689 
1 1 1 6   21 3  o 937.8402 86.54698 24.02360       4.062910  24.02360       4.062910  0.000000       0.000000  937.8402 86.54698 ?        ?        ?              ?        
1 1 1 6   21 4  o 325.5749 108.1455 2.986114       2.082117  2.986114       2.082117  0.000000       0.000000  325.5749 108.1455 ?        ?        ?              ?        
1 1 1 6   21 5  o 332.9250 77.39388 3.151801       1.669482  4.719279       2.186260  0.9592294      2.585698  398.5260 106.3723 267.3241 112.4464 131.2019       154.7878 
1 1 1 6   21 6  o 271.5208 113.0586 1.233068       2.574286  0.000000       0.000000  1.233068       2.574286  ?        ?        271.5208 113.0586 ?              ?        
1 1 1 6   21 7  o 132.2395 38.23886 0.1455352      0.3800557 0.2484480E-01  0.4559788 0.4201789      0.6878488 109.9805 46.78617 154.4986 60.49709 -44.51817      76.47773 
1 1 1 6   21 8  o 611.4646 71.57273 12.10575       1.576910  12.70014       1.753964  9.599510       3.601602  691.8937 50.41927 531.0354 133.9721 160.8583       143.1455 
1 1 1 6   21 9  o 509.9894 70.84808 9.417920       1.400834  10.38371       1.566753  5.568843       3.127790  623.9678 50.01735 396.0110 132.5748 227.9568       141.6962 
1 1 1 6   21 10 o 588.2897 39.38384 9.416611       1.155272  9.503287       1.579866  9.316998       1.693667  592.9797 53.19112 583.5998 58.09519 9.379883       78.76768 
1 1 1 6   21 11 o 404.8003 46.13363 4.665775       0.9096429 4.875749       1.252975  4.431777       1.322715  417.2151 61.13322 392.3854 69.10844 24.82971       92.26726 
1 1 1 6   21 12 o 229.1705 50.30317 1.444319       0.7521786 2.547705       1.033536  0.2018100      1.096760  292.2549 70.63583 166.0860 71.63947 126.1690       100.6063 
1 1 1 6   21 13 o 311.5629 67.32758 3.561744       1.171564  2.642579       2.315773  3.877918       1.358195  271.8825 109.5006 351.2434 78.36862 -79.36093      134.6552 
1 1 1 6   21 14 o 186.0148 60.66347 0.3265881      0.9771293 0.4868826      1.030678  -1.096889      3.071419  168.0855 70.86346 203.9441 98.48145 -35.85861      121.3269 
1 1 1 6   21 15 o 199.1474 56.01863 0.8485497      0.9739547 -0.7135862     1.452991  2.123133       1.312464  152.8108 72.08111 245.4841 85.77097 -92.67326      112.0373 
1 1 1 6   21 16 o 462.3531 54.38746 7.087125       1.222811  7.666117       1.715208  6.488684       1.743778  489.2234 71.35077 435.4829 82.10390 53.74054       108.7749 
1 1 1 6   22 0  o 635.3499 116.8599 12.05331       3.620398  0.000000       0.000000  12.05331       3.620398  ?        ?        635.3499 116.8599 ?              ?        
1 1 1 6   22 1  o 510.9289 38.39537 6.900221       0.9770162 6.716722       1.346598  7.104189       1.419719  503.9760 53.59961 517.8818 54.98999 -13.90582      76.79073 
1 1 1 6   22 2  o 1055.037 52.03391 30.80407       2.499486  28.41341       4.495933  31.87349       3.007010  1007.826 89.03068 1102.247 53.88553 -94.42163      104.0678 
1 1 1 6   22 3  o 553.0887 112.9044 9.258722       3.054498  9.258722       3.054498  0.000000       0.000000  553.0887 112.9044 ?        ?        ?              ?        
1 1 1 6   22 4  o 780.3011 83.44464 17.09367       3.245331  17.09367       3.245331  0.000000       0.000000  780.3011 83.44464 ?        ?        ?              ?        
1 1 1 6   22 5  o 442.6541 108.5976 6.070309       2.415366  0.000000       0.000000  6.070309       2.415366  ?        ?        442.6541 108.5976 ?              ?        
1 1 1 6   22 6  o 327.0354 80.77686 3.322871       1.675689  2.570275       2.484411  3.950996       2.269683  301.5982 115.8232 352.4727 112.6259 -50.87448      161.5537 
1 1 1 6   22 7  f 346.2608 74.17340 2.743007       0.9638874 2.415252       1.015849  5.703137       3.052881  290.3446 69.93915 402.1769 130.8254 -111.8323      148.3468 
1 1 1 6   22 8  o 231.0371 49.95168 1.416278       0.6144600 1.145142       0.7543721 1.950804       1.059196  203.6800 64.91446 258.3942 75.93940 -54.71422      99.90335 
1 1 1 6   22 9  o 175.3606 47.10797 0.6448761      0.5630236 0.4633150      0.7099385 0.9526236      0.9242864 156.1295 61.36264 194.5918 71.49314 -38.46222      94.21593 
1 1 1 6   22 10 o 332.6495 72.71696 2.871403       0.9801120 2.546543       1.042920  5.327401       2.867590  293.3233 70.99388 371.9757 126.9287 -78.65240      145.4339 
1 1 1 6   22 11 o 212.9547 54.31408 1.199615       0.7477261 0.8187236      0.9686552 1.761205       1.176193  185.7510 72.05133 240.1583 81.29382 -54.40727      108.6282 
1 1 1 6   22 12 o 269.8438 57.76542 2.345681       0.9200840 3.393442       1.308848  1.322070       1.293676  324.9360 80.07808 214.7516 83.27592 110.1844       115.5308 
1 1 1 6   22 13 o 298.5784 58.73760 3.056660       0.9234881 3.249276       1.270903  2.841189       1.344195  312.0818 80.04960 285.0750 85.97955 27.00681       117.4752 
1 1 1 6   22 14 o 396.6240 69.86111 7.061694       1.355818  7.433375       1.480654  5.132158       3.373609  498.9556 59.80670 294.2924 126.2753 204.6632       139.7222 
1 1 1 6   22 15 o 212.9212 57.05351 1.255786       0.9688421 2.733650       1.378780  -0.1856478     1.361679  268.5851 87.94627 157.2574 72.70396 111.3276       114.1070 
1 1 1 6   22 16 o 173.6003 54.28301 0.4859243      1.001136  1.303503       1.312436  -0.6518435     1.548247  196.1489 81.12060 151.0517 72.15283 45.09718       108.5660 
1 1 1 6   23 0  o 894.6471 51.12238 22.00068       2.105459  22.14144       3.787958  21.93775       2.532742  881.8345 85.93873 907.4596 55.39427 -25.62506      102.2448 
1 1 1 6   23 1  o 498.9215 74.68694 8.141772       1.375184  8.416175       1.496731  6.655172       3.483744  561.5572 53.28411 436.2858 139.5470 125.2714       149.3739 
1 1 1 6   23 2  o 235.8068 64.93614 1.171828       0.7528945 1.163698       2.577639  1.172586       0.7872239 263.6808 111.6638 207.9328 66.31741 55.74800       129.8723 
1 1 1 6   23 3  o 700.5504 102.3671 14.87100       3.523495  14.87100       3.523495  0.000000       0.000000  700.5504 102.3671 ?        ?        ?              ?        
1 1 1 6   23 4  o 538.8814 102.6945 8.959661       2.699428  0.000000       0.000000  8.959661       2.699428  ?        ?        538.8814 102.6945 ?              ?        
1 1 1 6   23 5  o 534.7943 103.7089 8.958359       2.706593  0.000000       0.000000  8.958359       2.706593  ?        ?        534.7943 103.7089 ?              ?        
1 1 1 6   23 6  o 253.8245 73.57512 1.013312       1.586126  2.991868       2.397465  -0.5267795     2.115200  305.9768 114.6226 201.6722 92.27596 104.3047       147.1502 
1 1 1 6   23 7  o 252.3925 65.01187 1.838386       0.8357990 1.838386       0.8357990 0.000000       0.000000  252.3925 65.01187 ?        ?        ?              ?        
1 1 1 6   23 8  o 308.5327 60.69390 3.012212       0.7261090 3.068754       0.7610116 2.437871       2.425443  336.5137 45.86339 280.5516 112.3902 55.96207       121.3878 
1 1 1 6   23 9  o 285.7161 61.89447 2.910223       1.077385  0.6509528      2.299234  3.545862       1.219563  226.6765 100.5617 344.7556 72.18758 -118.0791      123.7889 
1 1 1 6   23 10 o 470.0159 44.89038 6.277363       1.030451  5.421354       1.353184  7.458906       1.589800  431.9400 63.80024 508.0917 63.16736 -76.15170      89.78076 
1 1 1 6   23 11 o 320.2649 50.55537 2.834717       0.8360019 1.338407       1.040620  5.558142       1.403910  210.3003 76.07137 430.2295 66.60728 -219.9292      101.1107 
1 1 1 6   23 12 o 343.6193 81.04818 3.986407       1.387090  0.000000       0.000000  3.986407       1.387090  ?        ?        343.6193 81.04818 ?              ?        
1 1 1 6   23 13 f 324.1365 56.96022 3.623459       0.9519376 2.660452       1.295040  4.755399       1.404042  269.6730 84.95850 378.6001 75.89413 -108.9271      113.9204 
1 1 1 6   23 14 o 288.0878 61.85664 3.173574       0.9805930 3.227164       1.284619  3.098750       1.517936  298.5691 82.32536 277.6065 92.34451 20.96259       123.7133 
1 1 1 6   23 15 o 281.7319 66.99924 3.483861       1.129656  3.462148       1.584571  3.506301       1.610905  281.5177 94.36158 281.9460 95.13930 -0.4283142     133.9985 
1 1 1 6   24 0  o 174.4558 61.04956 -0.1596091     0.3879101 -0.1736124     0.3911090 0.6859360      3.039144  90.28062 40.65686 258.6310 115.1313 -168.3503      122.0991 
1 1 1 6   24 1  o 133.7504 38.17937 0.2066249      0.3657220 0.1005363      0.4315843 0.4768394      0.6887882 111.2651 46.30781 156.2357 60.71444 -44.97051      76.35873 
1 1 1 6   24 2  o 294.4375 72.48256 2.532179       1.073217  0.000000       0.000000  2.532179       1.073217  ?        ?        294.4375 72.48256 ?              ?        
1 1 1 6   24 3  o 280.8868 80.26871 2.156193       1.725702  2.800919       2.784756  1.754246       2.198789  300.2245 120.3723 261.5490 106.2204 38.67545       160.5374 
1 1 1 6   24 4  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 6   24 5  o 308.7693 82.24411 3.239880       1.742382  3.828651       2.624703  2.775990       2.329777  325.9765 120.3601 291.5620 112.1152 34.41446       164.4882 
1 1 1 6   24 6  o 299.3404 79.20720 2.816807       1.704660  4.738596       2.532427  1.224578       2.305085  356.1366 119.2915 242.5441 104.2337 113.5925       158.4144 
1 1 1 6   24 7  o 385.7422 87.78933 5.795223       1.914095  5.520090       2.418051  6.256939       3.132430  386.1861 115.0579 385.2982 132.6256 0.8879395      175.5787 
1 1 1 6   24 8  o 405.9475 69.39656 5.950727       0.9755996 6.026441       1.022882  5.188083       3.246369  472.1188 43.27639 339.7762 131.8737 132.3426       138.7931 
1 1 1 6   24 9  o 277.8452 57.30989 2.379312       0.8582119 1.705249       1.097995  3.437727       1.375872  232.3504 78.54551 323.3400 83.47633 -90.98956      114.6198 
1 1 1 6   24 10 f 203.5082 69.93660 1.274890       0.8708633 1.274890       0.8708633 0.000000       0.000000  203.5082 69.93660 ?        ?        ?              ?        
1 1 1 6   24 11 o 278.1330 51.01102 2.349473       0.8255231 0.8429629      1.075547  4.509458       1.287861  180.6371 73.92987 375.6290 70.30556 -194.9919      102.0220 
1 1 1 6   24 12 o 215.4469 57.06465 1.579289       0.8166312 1.368023       1.026140  1.944219       1.348640  202.7073 75.17491 228.1866 85.87334 -25.47928      114.1293 
1 1 1 6   24 13 o 297.4643 60.05675 3.271965       0.9372391 2.872309       1.214334  3.860812       1.473996  279.2186 81.09772 315.7100 88.60255 -36.49139      120.1135 
1 1 1 6   24 14 o 203.6056 62.41185 1.614843       1.234619  0.1501013      2.621163  2.032463       1.399601  185.9890 90.10195 221.2223 86.38632 -35.23334      124.8237 
1 1 1 6   25 0  o 407.3356 76.85969 5.269032       1.285904  5.045405       1.389993  6.596625       3.386759  417.7806 68.06084 396.8907 137.8309 20.88986       153.7194 
1 1 1 6   25 1  o 505.9114 42.40689 7.113966       1.051176  6.775403       1.369454  7.599539       1.640042  494.5904 55.65841 517.2324 63.99624 -22.64200      84.81378 
1 1 1 6   25 2  o 257.6645 63.87250 2.195798       1.038922  -0.6214204     2.899148  2.610883       1.112830  221.5477 103.6538 293.7813 74.66376 -72.23357      127.7450 
1 1 1 6   25 3  o 180.5406 84.86697 -1.034491      1.982877  0.000000       0.000000  -1.034491      1.982877  ?        ?        180.5406 84.86697 ?              ?        
1 1 1 6   25 4  o 338.3201 80.82265 4.089032       1.747178  6.350556       2.613462  2.261501       2.349351  408.9900 119.0257 267.6502 109.3713 141.3398       161.6453 
1 1 1 6   25 5  o 195.0101 64.16350 -0.8406917     1.593187  -2.461058      2.346104  0.5460054      2.170359  172.8697 84.09389 217.1506 96.93314 -44.28085      128.3270 
1 1 1 6   25 6  o 271.3039 78.88853 2.573039       1.790134  1.585358       2.675807  3.373245       2.408502  247.6924 109.2523 294.9155 113.8312 -47.22308      157.7771 
1 1 1 6   25 7  o 196.1137 64.71626 -0.2861705     1.547446  -0.3786868     1.987962  -0.1439216     2.465035  186.4984 86.78060 205.7290 96.03076 -19.23061      129.4325 
1 1 1 6   25 8  o 247.0999 57.19025 2.051445       0.6266940 2.125714       0.6409345 0.4356097      2.989578  273.7095 48.00342 220.4902 103.8199 53.21927       114.3805 
1 1 1 6   25 9  o 232.5413 74.20142 1.892840       1.887634  2.471593       2.366413  0.8803473      3.129968  244.8774 105.4289 220.2051 104.4421 24.67224       148.4028 
1 1 1 6   25 10 o 204.6537 71.98767 1.394311       0.9252742 1.394311       0.9252742 0.000000       0.000000  204.6537 71.98767 ?        ?        ?              ?        
1 1 1 6   25 11 o 202.1327 54.91385 1.430242       0.8033071 1.645414       1.008826  1.057416       1.327936  215.5790 75.20473 188.6864 80.03980 26.89259       109.8277 
1 1 1 6   25 12 o 232.3548 60.43448 2.030609       0.8810082 1.705282       1.059674  2.758866       1.585456  215.3591 76.90006 249.3504 93.25066 -33.99136      120.8690 
1 1 1 6   25 13 o 173.8843 54.25816 0.6464423      0.8495600 0.2332661      1.007760  1.661357       1.579444  146.1393 65.58384 201.6293 86.45548 -55.48994      108.5163 
1 1 1 6   26 0  o 245.9881 70.06236 1.847692       0.9146398 1.847692       0.9146398 0.000000       0.000000  245.9881 70.06236 ?        ?        ?              ?        
1 1 1 6   26 1  o 154.9152 43.72581 0.3871565      0.4801943 0.2067897      0.5715517 0.8200055      0.8854119 128.9003 53.43900 180.9300 69.22472 -52.02971      87.45163 
1 1 1 6   26 2  o 349.5167 72.92684 3.750499       1.248710  0.000000       0.000000  3.750499       1.248710  ?        ?        349.5167 72.92684 ?              ?        
1 1 1 6   26 3  f 239.6102 103.3863 1.600960       2.285660  0.000000       0.000000  1.600960       2.285660  ?        ?        239.6102 103.3863 ?              ?        
1 1 1 6   26 4  o 260.7104 73.93054 2.354070       1.574528  3.589561       2.163287  0.9622450      2.296078  299.2253 109.4597 222.1954 99.40557 77.02989       147.8611 
1 1 1 6   26 5  o 333.8257 81.63985 4.604098       1.856634  7.716664       2.785070  2.114428       2.490850  420.2214 123.0371 247.4301 107.3412 172.7913       163.2797 
1 1 1 6   26 6  o 170.8814 58.65028 -1.612773      1.583535  -1.631806      2.348647  -1.596910      2.144204  174.1717 84.59103 167.5910 81.26363 6.580750       117.3006 
1 1 1 6   26 7  o 284.1919 78.30959 3.929301       1.712693  4.936204       2.301727  2.680241       2.563608  321.7061 113.4994 246.6777 107.9234 75.02834       156.6192 
1 1 1 6   26 8  o 204.0138 60.26991 1.091853       0.6244002 1.050388       0.6392216 1.955028       2.916494  183.7152 59.86860 224.3124 104.6212 -40.59720      120.5398 
1 1 1 6   26 9  o 264.7195 76.64999 2.533407       1.086285  2.533407       1.086285  0.000000       0.000000  264.7195 76.64999 ?        ?        ?              ?        
1 1 1 6   26 10 o 216.9681 63.57550 0.1482239      0.6599994 -0.3241031     0.6856971 6.097845       2.433635  109.7933 51.04784 324.1429 116.4538 -214.3496      127.1510 
1 1 1 6   26 11 o 151.8103 49.46420 0.5287513E-01  0.8960432 0.4854854      1.124403  -0.6999409     1.483262  159.2549 70.50316 144.3656 69.39836 14.88928       98.92840 
1 1 1 6   26 12 o 148.7453 49.59711 -0.9134483E-01 0.9516988 -0.2582692     1.235351  0.1523655      1.492683  140.1159 66.20552 157.3747 73.86692 -17.25876      99.19422 
1 1 1 6   27 0  o 131.1087 39.89798 -0.3167434     0.4237091 -0.6661158     0.4807723 0.8985140      0.8966631 80.89718 39.03899 181.3202 69.59421 -100.4230      79.79597 
1 1 1 6   27 1  o 300.7467 127.6761 5.086631       3.383232  0.000000       0.000000  5.086631       3.383232  ?        ?        300.7467 127.6761 ?              ?        
1 1 1 6   27 2  o 154.8921 43.49858 0.5567529      0.4911460 0.6492972      0.5826792 0.3296312      0.9128177 155.8192 56.83747 153.9650 65.86355 1.854263       86.99715 
1 1 1 6   27 3  o 176.5867 54.39956 0.6490872      0.7698559 -2.001657      2.613167  0.9010190      0.8056099 175.6419 86.14423 177.5316 66.45615 -1.889709      108.7991 
1 1 1 6   27 4  o 359.3845 85.57709 6.544703       1.882752  5.278161       2.594857  7.952744       2.735971  316.0644 119.0818 402.7045 122.9361 -86.64005      171.1542 
1 1 1 6   27 5  o 259.2052 78.65054 3.576671       1.850939  4.160419       2.696444  3.056517       2.545334  271.1068 114.4750 247.3035 107.8847 23.80330       157.3011 
1 1 1 6   27 6  o 224.0667 73.14603 1.777950       1.898014  4.521738       3.026860  0.8529337E-06  2.436558  262.0850 115.8687 186.0484 89.30740 76.03664       146.2921 
1 1 1 6   27 7  o 187.1940 60.74227 0.8606584      1.307959  0.9357522      1.767838  0.7698363      1.944179  187.7043 85.29362 186.6836 86.50717 1.020721       121.4845 
1 1 1 6   27 8  o 150.5096 49.57623 0.2474153      0.6966889 0.4838714      0.7155899 -4.052124      3.051406  144.6573 59.86855 156.3618 79.03775 -11.70450      99.15245 
1 1 1 6   27 9  o 179.8535 68.53622 1.103302       0.8656959 1.103302       0.8656959 0.000000       0.000000  179.8535 68.53622 ?        ?        ?              ?        
1 1 1 6   27 10 o 231.5486 64.78521 2.387935       0.9756106 2.155020       1.052945  3.801095       2.593599  232.1516 76.89580 230.9456 104.2858 1.205994       129.5704 
1 1 1 6   27 11 o 148.5771 48.28240 0.4393978      0.6526769 0.5912803      0.6748865 -1.754964      2.565258  144.3621 58.76311 152.7920 76.62673 -8.429855      96.56480 
1 1 1 6   28 0  o 130.2892 59.73508 -0.1767178     0.8925984 0.000000       0.000000  -0.1767178     0.8925984 ?        ?        130.2892 59.73508 ?              ?        
1 1 1 6   28 1  o 151.0601 51.43525 0.1732257      0.5770399 0.2864594      0.5833493 -4.976598      3.934026  129.1102 53.79482 173.0100 87.68385 -43.89986      102.8705 
1 1 1 6   28 2  o 148.9482 43.78572 0.4746143      0.4936278 0.4321815      0.5733124 0.5962290      0.9705856 136.8043 54.69958 161.0920 68.38651 -24.28764      87.57145 
1 1 1 6   28 3  o 143.6869 49.13986 -0.1130215     0.6908004 -2.749866      2.783319  0.6006982E-01  0.7131133 161.5042 80.82384 125.8697 55.91431 35.63442       98.27972 
1 1 1 6   28 4  o 177.1592 59.23322 -0.1928875     1.497110  1.901323       2.039509  -2.639812      2.204579  208.6245 93.48548 145.6940 72.76512 62.93050       118.4664 
1 1 1 6   28 5  f 185.3105 64.11757 0.2829809      1.998003  0.8014855      2.961372  -0.1502552     2.706943  191.6014 93.48615 179.0197 87.77579 12.58168       128.2351 
1 1 1 6   28 6  f 243.3917 78.09570 4.656359       2.094999  3.324359       2.860097  6.198423       3.077373  220.7662 103.1808 266.0172 117.2581 -45.25095      156.1914 
1 1 1 6   28 7  o 178.0647 60.68868 0.5488510      1.639340  0.9623711      2.170720  -0.5387482E-04 2.500944  182.6915 86.74533 173.4379 84.89824 9.253632       121.3774 
1 1 1 6   28 8  o 120.1451 49.95091 0.2818809      0.5014076 0.2818809      0.5014076 0.000000       0.000000  120.1451 49.95091 ?        ?        ?              ?        
1 1 1 6   28 9  o 126.4666 47.64640 -0.9510023     0.5551913 -0.9922578     0.5640876 0.3260725      3.138438  78.63647 38.84618 174.2966 87.01546 -95.66018      95.29279 
1 1 1 6   28 10 o 163.8481 52.93799 0.8836915      0.7586908 0.8756169      0.7880114 0.9861801      2.807426  157.4142 63.70771 170.2821 84.56390 -12.86787      105.8760 
1 1 1 6   29 0  o 191.0305 79.65605 1.453495       1.280452  0.000000       0.000000  1.453495       1.280452  ?        ?        191.0305 79.65605 ?              ?        
1 1 1 6   29 1  o 153.9456 52.83735 0.2274557      0.6456949 0.2410847      0.6577291 -0.1347990     3.390964  127.5918 55.25560 180.2994 90.07752 -52.70763      105.6747 
1 1 1 6   29 2  o 145.8158 44.18885 0.4653555      0.5359621 0.3783181      0.6328737 0.6860771      1.007828  132.8481 55.74263 158.7835 68.58118 -25.93544      88.37770 
1 1 1 6   29 3  o 178.3804 56.97551 0.9754984      0.8848436 1.839709       2.262810  0.8194975      0.9613949 194.1477 91.06957 162.6131 68.49209 31.53464       113.9510 
1 1 1 6   29 4  f 195.0990 65.75387 2.043468       1.773883  1.677133       2.306631  2.573734       2.775141  189.6551 89.86679 200.5429 96.01169 -10.88782      131.5077 
1 1 1 6   29 5  o 167.0025 58.29561 -0.1226808     1.783157  -0.2741160     2.665552  -0.1917874E-04 2.398988  167.1932 82.92244 166.8119 81.95964 0.3813629      116.5912 
1 1 1 6   29 6  o 203.0436 69.28063 2.929293       2.056127  5.884438       3.251461  0.9600825      2.654209  229.4436 108.1070 176.6436 86.67234 52.79999       138.5613 
1 1 1 6   29 7  o 172.8862 59.71541 0.9887169      1.684808  0.2829835      2.207883  1.972565       2.606872  162.2274 79.48671 183.5450 89.13801 -21.31764      119.4308 
1 1 1 6   29 8  o 154.4451 55.67820 0.8258294      0.5567824 0.8258294      0.5567824 0.000000       0.000000  154.4451 55.67820 ?        ?        ?              ?        
1 1 1 6   30 0  o 169.1943 55.99090 0.9507054      1.039245  0.9981660      2.770324  0.9429326      1.121120  174.3368 86.11551 164.0518 71.58242 10.28505       111.9818 
1 1 1 6   30 1  f 216.3242 64.57761 2.548688       1.057548  2.299065       1.092662  6.246306       4.205373  226.1364 78.30222 206.5121 102.7124 19.62430       129.1552 
1 1 1 6   30 2  f 264.4817 87.08657 1.828420       1.247512  -7.582845      3.246442  3.458884       1.351261  ?        ?        264.4817 87.08657 ?              ?        
1 1 1 6   30 3  o 170.0681 48.17065 1.040114       0.5936919 0.8140770      0.7178091 1.529556       1.056257  154.2038 61.35210 185.9323 74.28033 -31.72853      96.34131 
1 1 1 6   30 4  o 155.9102 77.58759 -0.1560863     2.413452  0.000000       0.000000  -0.1560863     2.413452  ?        ?        155.9102 77.58759 ?              ?        
1 1 1 6   30 5  o 163.7973 81.02044 0.9613751      2.482191  0.000000       0.000000  0.9613751      2.482191  ?        ?        163.7973 81.02044 ?              ?        
1 1 1 6   30 6  f 160.9708 79.77424 -1.918233      1.795703  -5.492957      2.640800  1.156193       2.449043  ?        ?        160.9708 79.77424 ?              ?        
1 1 1 6   31 0  o 143.3865 45.99098 0.6376317      0.7264829 0.8087199      0.8960278 0.3093865      1.241111  148.1917 64.33479 138.5813 65.73975 9.610458       91.98196 
1 1 1 6   31 1  o 171.3141 56.91706 1.830272       1.180293  2.831248       3.172755  1.669497       1.271553  168.7496 84.71011 173.8787 76.04212 -5.129105      113.8341 
1 1 1 6   31 2  f 127.9128 56.89398 0.5284073      0.7294729 0.3936178      0.7405853 4.919111       4.226824  127.9128 56.89398 ?        ?        ?              ?        
1 1 1 6   31 3  o 202.4429 61.10801 3.122873       1.102366  4.489367       2.471566  2.783524       1.231662  189.8180 90.80618 215.0678 81.79848 -25.24985      122.2160 
1 1 1 6   31 4  o 112.1679 53.51310 -0.1571489     0.8461735 0.000000       0.000000  -0.1571489     0.8461735 ?        ?        112.1679 53.51310 ?              ?        
1 1 1 7   0  0  o ?        ?        154.1933       8.309288  154.1933       8.309288  154.1933       8.309288  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 7   0  1  o ?        ?        37.57301       3.015976  37.57301       3.015976  37.57301       3.015976  ?        ?        ?        ?        0.000000       0.000000 
1 1 1 7   0  2  o 2017.252 42.51226 104.6113       6.127723  104.6113       6.127723  104.6113       6.127723  2017.252 60.12141 2017.252 60.12141 0.000000       0.000000 
1 1 1 7   0  3  o 2590.080 48.82209 170.6058       9.039199  170.6058       9.039199  170.6058       9.039199  2590.080 69.04486 2590.080 69.04486 0.000000       0.000000 
1 1 1 7   0  4  o 274.3737 55.70921 2.323609       0.9489269 2.323609       0.9489269 2.323609       0.9489269 274.3737 78.78471 274.3737 78.78471 0.000000       0.000000 
1 1 1 7   0  5  o 991.6406 34.09565 25.08541       2.407711  25.08541       2.407711  25.08541       2.407711  991.6406 48.21853 991.6406 48.21853 0.000000       0.000000 
1 1 1 7   0  6  o 961.3340 33.98276 23.59020       2.325672  23.59020       2.325672  23.59020       2.325672  961.3340 48.05888 961.3340 48.05888 0.000000       0.000000 
1 1 1 7   0  7  o 917.4706 48.54266 21.73021       3.147661  21.73021       3.147661  21.73021       3.147661  917.4706 68.64969 917.4706 68.64969 0.000000       0.000000 
1 1 1 7   0  8  o 1295.503 52.21159 43.10290       4.806893  43.10290       4.806893  43.10290       4.806893  1295.503 73.83833 1295.503 73.83833 0.000000       0.000000 
1 1 1 7   0  9  o 722.8389 36.50221 13.45382       1.866983  13.45382       1.866983  13.45382       1.866983  722.8389 51.62192 722.8389 51.62192 0.000000       0.000000 
1 1 1 7   0  10 o 198.6768 76.96712 1.407000       1.569276  1.407000       1.569276  1.407000       1.569276  198.6768 108.8479 198.6768 108.8479 0.000000       0.000000 
1 1 1 7   0  11 o 887.8928 50.21037 20.43316       3.144962  20.43316       3.144962  20.43316       3.144962  887.8928 71.00818 887.8928 71.00818 0.000000       0.000000 
1 1 1 7   0  12 o 937.9362 51.31889 22.82822       3.398814  22.82822       3.398814  22.82822       3.398814  937.9362 72.57587 937.9362 72.57587 0.000000       0.000000 
1 1 1 7   0  13 o 2005.329 61.25870 103.7551       8.757985  103.7551       8.757985  103.7551       8.757985  2005.329 86.63289 2005.329 86.63289 0.000000       0.000000 
1 1 1 7   0  14 o 474.8954 84.86583 6.841647       2.495320  6.841647       2.495320  6.841647       2.495320  474.8954 120.0184 474.8954 120.0184 0.000000       0.000000 
1 1 1 7   0  15 o 1045.587 38.17656 28.17656       2.840561  28.17656       2.840561  28.17656       2.840561  1045.587 53.98980 1045.587 53.98980 0.000000       0.000000 
1 1 1 7   0  16 o 399.9812 64.74064 4.763793       1.614949  4.763793       1.614949  4.763793       1.614949  399.9812 91.55709 399.9812 91.55709 0.000000       0.000000 
1 1 1 7   0  17 o 388.2579 68.73832 4.647360       1.652932  4.647360       1.652932  4.647360       1.652932  388.2579 97.21066 388.2579 97.21066 0.000000       0.000000 
1 1 1 7   0  18 o 1010.869 55.02830 27.67108       3.928434  27.67108       3.928434  27.67108       3.928434  1010.869 77.82177 1010.869 77.82177 0.000000       0.000000 
1 1 1 7   0  19 o 283.7677 97.38768 3.620607       2.316022  3.620607       2.316022  3.620607       2.316022  283.7677 137.7270 283.7677 137.7270 0.000000       0.000000 
1 1 1 7   0  20 o 96.34708 47.55574 -0.9417279     1.198203  -0.9417279     1.198203  -0.9417279     1.198203  96.34708 67.25397 96.34708 67.25397 0.000000       0.000000 
1 1 1 7   0  21 o 261.9103 77.99220 2.901814       1.473888  2.901814       1.473888  2.901814       1.473888  261.9103 110.2976 261.9103 110.2976 0.000000       0.000000 
1 1 1 7   0  22 o 188.6557 76.41254 1.836636       1.634349  1.836636       1.634349  1.836636       1.634349  188.6557 108.0637 188.6557 108.0637 0.000000       0.000000 
1 1 1 7   1  0  o ?        ?        27.78204       1.780694  28.12502       2.518938  27.43942       2.517624  ?        ?        ?        ?        ?              ?        
1 1 1 7   1  1  o ?        ?        28.72061       1.806950  31.12823       2.559245  26.32735       2.551599  ?        ?        ?        ?        ?              ?        
1 1 1 7   1  2  o 3439.979 61.00534 308.8446       10.62370  304.6176       15.02252  313.0734       15.02582  3415.715 86.87157 3464.244 85.67343 -48.52930      122.0107 
1 1 1 7   1  3  o 1341.338 35.69619 45.66080       2.423999  45.27775       3.427878  46.04394       3.428226  1335.697 50.69134 1346.980 50.27185 -11.28235      71.39237 
1 1 1 7   1  4  o 2164.510 43.67965 118.8936       4.785689  116.2449       6.765548  121.5461       6.770428  2140.324 62.43668 2188.697 61.10079 -48.37256      87.35929 
1 1 1 7   1  5  o 2690.367 49.95769 183.7543       6.804433  182.8047       9.627209  184.7023       9.618640  2683.397 70.86499 2697.336 70.43604 -13.93896      99.91537 
1 1 1 7   1  6  o 2471.410 58.85063 157.4326       6.900325  161.3542       8.459929  149.6379       11.92696  2520.406 66.29987 2422.415 97.25180 97.99048       117.7013 
1 1 1 7   1  7  o 1811.776 56.81044 83.44031       5.210942  0.000000       0.000000  83.44031       5.210942  ?        ?        1811.776 56.81044 ?              ?        
1 1 1 7   1  8  o 1804.905 57.47048 83.39796       5.249428  85.51545       7.393612  81.24553       7.454387  1828.350 79.87553 1781.459 82.65182 46.89050       114.9410 
1 1 1 7   1  9  o 1378.586 46.26850 48.76942       3.006128  49.33541       3.660489  47.59693       5.268480  1393.495 51.88596 1363.676 76.62209 29.81946       92.53700 
1 1 1 7   1  10 o 2585.250 69.59103 170.2755       9.108345  170.2755       9.108345  0.000000       0.000000  2585.250 69.59103 ?        ?        ?              ?        
1 1 1 7   1  11 o 1326.039 36.87183 44.71664       2.475332  44.60840       3.496351  44.82542       3.504962  1324.430 52.14376 1327.647 52.14551 -3.217529      73.74365 
1 1 1 7   1  12 o 435.4931 66.43077 4.958166       1.418280  4.958166       1.418280  0.000000       0.000000  435.4931 66.43077 ?        ?        ?              ?        
1 1 1 7   1  13 o 1069.205 71.60741 29.50053       3.853765  0.000000       0.000000  29.50053       3.853765  ?        ?        1069.205 71.60741 ?              ?        
1 1 1 7   1  14 o 720.6339 60.66625 13.71852       2.154024  15.42629       3.056994  12.03456       3.035618  767.7303 79.81747 673.5374 91.38242 94.19293       121.3325 
1 1 1 7   1  15 o 208.0728 59.29644 0.4784793      1.008388  -1.020222      1.780235  1.186505       1.223614  186.7319 85.13722 229.4136 82.55862 -42.68166      118.5929 
1 1 1 7   1  16 o 795.7949 39.43665 16.43795       1.576502  17.67876       2.279894  15.30107       2.182327  824.9763 54.90052 766.6136 56.62976 58.36261       78.87330 
1 1 1 7   1  17 o 650.7568 42.78689 11.19345       1.389813  11.78466       1.940460  10.57072       1.991520  669.7083 57.79773 631.8054 63.10542 37.90295       85.57378 
1 1 1 7   1  18 o 616.6857 61.89908 10.76595       1.839758  12.15684       2.509050  9.148500       2.705684  668.1586 75.49734 565.2128 98.11288 102.9459       123.7982 
1 1 1 7   1  19 o 667.9205 68.67592 12.96027       2.247340  12.67896       3.052209  13.29335       3.321246  662.9559 93.53714 672.8853 100.5800 -9.929382      137.3518 
1 1 1 7   1  20 f 681.9705 44.37136 12.78283       1.506126  14.17315       2.134361  11.40385       2.125633  722.3177 58.87772 641.6232 66.39792 80.69452       88.74272 
1 1 1 7   1  21 f 508.3800 48.40121 7.325187       1.213132  7.382115       1.751485  7.272694       1.681886  509.2838 69.76409 507.4763 67.10946 1.807495       96.80241 
1 1 1 7   1  22 o 205.5262 58.07470 0.5872597      1.011754  -0.7210527     1.421371  1.931011       1.440493  159.0467 73.79459 252.0057 89.69415 -92.95901      116.1494 
1 1 1 7   2  0  o ?        ?        57.20287       2.803488  55.65778       3.962525  58.75140       3.966941  ?        ?        ?        ?        ?              ?        
1 1 1 7   2  1  f ?        ?        384.0730       12.89334  383.6289       18.23438  384.5170       18.23349  ?        ?        ?        ?        ?              ?        
1 1 1 7   2  2  o 606.7386 33.91764 9.427687       1.031916  10.00988       1.463757  8.852458       1.454983  625.6829 46.54251 587.7944 49.34996 37.88849       67.83527 
1 1 1 7   2  3  o 2135.620 43.29113 115.8534       4.679198  119.3137       6.623176  112.4053       6.611610  2167.561 60.35473 2103.678 62.07893 63.88257       86.58226 
1 1 1 7   2  4  o 2521.563 47.76496 161.3998       6.097636  160.9053       8.622594  161.8945       8.624125  2517.689 67.64756 2525.437 67.45201 -7.747314      95.52992 
1 1 1 7   2  5  o 1101.490 48.67227 30.94156       2.698404  29.88798       3.843782  31.96535       3.789046  1082.735 70.50632 1120.245 67.11794 -37.51013      97.34454 
1 1 1 7   2  6  o 1272.416 49.90013 41.06903       3.214507  41.06903       3.214507  0.000000       0.000000  1272.416 49.90013 ?        ?        ?              ?        
1 1 1 7   2  7  o 1611.742 54.14676 66.25680       4.414821  62.70200       6.179136  69.96366       6.309918  1567.380 77.86992 1656.104 75.25797 -88.72351      108.2935 
1 1 1 7   2  8  o 1788.836 40.01104 81.44566       3.621855  78.34616       5.108797  84.57759       5.135459  1754.457 57.51646 1823.215 55.63623 -68.75769      80.02208 
1 1 1 7   2  9  o 1045.541 44.83494 28.69951       2.189526  30.22860       2.683147  25.65181       3.788036  1091.037 48.57595 1000.046 75.37283 90.99127       89.66988 
1 1 1 7   2  10 o 1241.962 36.29367 39.18924       2.281306  37.96001       3.219988  40.42807       3.232557  1222.344 52.03279 1261.579 50.61136 -39.23511      72.58733 
1 1 1 7   2  11 f 1409.266 37.46077 50.53078       2.672198  49.85888       3.799540  51.18839       3.758904  1399.911 53.61012 1418.620 52.33730 -18.70898      74.92155 
1 1 1 7   2  12 o 833.9771 42.59283 17.70282       1.693953  17.39127       2.081218  18.31431       2.915726  824.8947 50.07203 843.0594 68.91582 -18.16467      85.18567 
1 1 1 7   2  13 o 1167.966 51.31300 34.80350       3.034179  0.000000       0.000000  34.80350       3.034179  ?        ?        1167.966 51.31300 ?              ?        
1 1 1 7   2  14 o 1447.884 47.40986 53.19144       3.265270  51.56165       3.969987  56.59945       5.740820  1418.967 55.26285 1476.802 77.05061 -57.83496      94.81973 
1 1 1 7   2  15 f 1107.571 46.85076 33.02076       2.442313  35.66136       3.043065  28.24102       4.094130  1178.694 50.99489 1036.448 78.60978 142.2454       93.70152 
1 1 1 7   2  16 o 263.4674 63.86024 1.680273       1.003160  1.405297       1.269312  2.137789       1.637284  240.6245 84.33362 286.3103 95.91853 -45.68578      127.7205 
1 1 1 7   2  17 o 457.8839 66.05648 5.653451       1.352051  6.521018       2.580674  5.325222       1.587340  473.2540 109.8284 442.5137 73.42720 30.74023       132.1130 
1 1 1 7   2  18 o 711.9700 57.04910 14.67076       1.828967  11.59750       3.075653  16.35207       2.274898  637.0103 98.55090 786.9297 57.49886 -149.9194      114.0982 
1 1 1 7   2  19 o 633.2185 42.33122 10.77030       1.339553  11.21664       1.889541  10.31933       1.899326  647.4467 58.27018 618.9904 61.41917 28.45624       84.66244 
1 1 1 7   2  20 o 309.3471 61.77886 2.974229       1.074498  3.899569       1.418678  1.729214       1.645586  365.1146 79.04044 253.5796 94.96906 111.5350       123.5577 
1 1 1 7   2  21 o 241.6456 57.46969 1.015669       1.046613  3.360471       1.524262  -1.075976      1.439629  329.0684 89.24088 154.2227 72.43705 174.8456       114.9394 
1 1 1 7   2  22 o 220.8063 60.52841 0.7618896      1.111113  2.528289       1.585845  -0.9413767     1.557247  279.7987 94.39648 161.8139 75.78957 117.9848       121.0568 
1 1 1 7   3  0  o ?        ?        50.56113       2.569600  52.37108       3.640642  48.76441       3.627320  ?        ?        ?        ?        ?              ?        
1 1 1 7   3  1  o 1918.136 41.22136 94.29994       4.002991  94.17959       5.664024  94.42004       5.658148  1916.886 58.36401 1919.387 58.22750 -2.500854      82.44271 
1 1 1 7   3  2  f 791.9744 46.96508 16.09110       1.862570  15.06503       2.631052  17.12189       2.637103  766.1495 68.55623 817.7992 64.20995 -51.64972      93.93015 
1 1 1 7   3  3  o 3940.074 80.48294 393.2527       15.18814  408.0500       26.33382  385.8769       18.59201  3989.058 130.3947 3891.089 94.37817 97.96851       160.9659 
1 1 1 7   3  4  o 5100.714 103.6348 673.8524       25.07129  687.3976       30.70289  646.7458       43.43335  5190.120 116.8472 5011.308 171.1940 178.8115       207.2695 
1 1 1 7   3  5  o 1216.919 43.17371 38.27443       2.485607  39.55873       3.056373  35.76596       4.271471  1249.196 48.32724 1184.642 71.55664 64.55432       86.34741 
1 1 1 7   3  6  o 1019.731 42.76710 26.93418       2.044894  25.19736       3.564232  27.78639       2.496675  992.8319 71.38636 1046.631 47.11778 -53.79871      85.53419 
1 1 1 7   3  7  o 1117.365 35.15742 31.74804       1.986920  33.02098       2.792626  30.44306       2.827559  1140.176 48.37905 1094.554 51.02591 45.62170       70.31483 
1 1 1 7   3  8  o 1528.279 46.62896 59.86998       3.387380  58.86569       5.857272  60.37466       4.152169  1515.776 76.57475 1540.783 53.22919 -25.00708      93.25792 
1 1 1 7   3  9  o 928.9711 44.76457 21.97834       1.932174  21.84288       2.322096  22.28321       3.483576  926.0677 49.71007 931.8745 74.46056 -5.806824      89.52914 
1 1 1 7   3  10 o 1251.479 36.10933 39.79386       2.287594  39.29532       3.244238  40.28684       3.226130  1243.641 51.52688 1259.316 50.60153 -15.67456      72.21866 
1 1 1 7   3  11 o 796.0756 36.36483 16.18686       1.457719  16.22454       2.054944  16.14870       2.068171  797.0437 51.19620 795.1075 51.65805 1.936218       72.72967 
1 1 1 7   3  12 o 411.6517 54.07133 4.312820       1.070889  3.150305       1.386301  6.032984       1.686333  343.2280 81.07161 480.0755 71.56976 -136.8475      108.1427 
1 1 1 7   3  13 o 480.7504 59.03767 6.289745       1.264536  5.716154       2.289064  6.541670       1.517026  459.5616 101.1292 501.9391 60.94814 -42.37750      118.0753 
1 1 1 7   3  14 o 1088.035 44.34019 30.73401       2.283987  29.78684       3.945230  31.21148       2.801126  1071.134 73.19021 1104.936 50.07398 -33.80139      88.68038 
1 1 1 7   3  15 o 867.4381 37.12043 19.41621       1.620754  19.59617       2.246787  19.22097       2.340253  872.0623 51.11304 862.8140 53.84385 9.248352       74.24085 
1 1 1 7   3  16 o 475.2919 52.04338 6.147817       1.191127  4.913807       1.696343  7.347979       1.672917  423.5024 82.08145 527.0814 64.00537 -103.5790      104.0868 
1 1 1 7   3  17 o 784.8406 46.04486 15.52263       1.752616  13.37372       2.165978  19.59764       2.982703  711.9481 60.67163 857.7332 69.27820 -145.7851      92.08971 
1 1 1 7   3  18 o 587.6877 63.88596 9.790999       1.825919  8.743806       2.625599  10.77176       2.540958  551.7729 97.55943 623.6025 82.50951 -71.82965      127.7719 
1 1 1 7   3  19 o 758.3326 58.22801 15.37919       2.218437  0.000000       0.000000  15.37919       2.218437  ?        ?        758.3326 58.22801 ?              ?        
1 1 1 7   3  20 o 216.0180 66.24026 -0.2602520     1.319550  -1.377956      1.625708  1.898043       2.259094  160.7918 75.96697 271.2443 108.5362 -110.4524      132.4805 
1 1 1 7   3  21 o 340.0230 63.14474 3.504817       1.147776  2.207425       1.545310  5.101286       1.714195  269.6837 93.13402 410.3623 85.29411 -140.6786      126.2895 
1 1 1 7   3  22 o 216.6947 60.18496 0.6267959      1.066058  -0.7560046     1.408756  2.479763       1.630759  157.0219 73.06074 276.3675 95.66109 -119.3456      120.3699 
1 1 1 7   4  0  f 2003.262 52.54489 103.8511       4.990195  99.47681       8.649206  106.0337       6.109622  1967.188 86.84540 2039.336 59.17548 -72.14844      105.0898 
1 1 1 7   4  1  o 145.7147 45.22692 -0.1469333     0.6020920 0.5344356E-01  0.7100059 -0.6599474     1.136064  139.9888 58.90596 151.4406 68.64391 -11.45177      90.45385 
1 1 1 7   4  2  o 1126.230 44.02165 33.55221       2.307490  35.95831       2.833288  28.81258       3.976552  1190.710 47.00035 1061.750 74.44858 128.9600       88.04330 
1 1 1 7   4  3  o 1173.185 34.66884 34.90079       2.058602  35.83033       2.911018  33.97089       2.911589  1188.839 48.36580 1157.532 49.68363 31.30664       69.33768 
1 1 1 7   4  4  o 1923.972 49.73268 93.33554       4.590603  92.00043       5.633352  95.97465       7.920220  1904.499 58.42550 1943.444 80.49733 -38.94495      99.46536 
1 1 1 7   4  5  o 2484.421 47.58743 156.7343       5.984828  159.6099       8.470168  153.8673       8.457495  2507.244 66.72858 2461.599 67.86420 45.64453       95.17486 
1 1 1 7   4  6  o 2117.889 53.33657 114.9637       5.389259  112.0506       9.275275  116.4484       6.621699  2095.280 87.43819 2140.498 61.10419 -45.21777      106.6731 
1 1 1 7   4  7  o 2135.717 43.60614 116.1678       4.714810  116.9514       6.661945  115.3814       6.673568  2142.989 61.40413 2128.446 61.93153 14.54297       87.21227 
1 1 1 7   4  8  o 1984.234 51.40246 99.71271       4.879189  102.9212       8.471195  98.11990       5.968661  2005.300 83.44141 1963.167 60.05318 42.13318       102.8049 
1 1 1 7   4  9  o 2165.288 53.99255 118.9185       5.567778  117.5919       6.788283  121.6455       9.732673  2149.732 62.37233 2180.844 88.15030 -31.11279      107.9851 
1 1 1 7   4  10 o 691.6124 35.90797 12.21622       1.245043  13.40936       1.783804  11.08282       1.738580  724.9410 48.88830 658.2839 52.60670 66.65710       71.81595 
1 1 1 7   4  11 o 881.6083 42.67488 19.54402       1.842362  18.42640       2.321897  21.44372       3.027187  849.0225 54.30260 914.1942 65.84686 -65.17163      85.34976 
1 1 1 7   4  12 o 341.8002 61.94244 2.879730       1.025947  4.004789       1.825151  2.360026       1.240478  385.7757 94.25414 297.8248 80.39667 87.95093       123.8849 
1 1 1 7   4  13 o 949.1103 36.82056 23.06807       1.762475  23.04525       2.498053  23.09068       2.487016  948.6098 52.21630 949.6108 51.92756 -1.000977      73.64111 
1 1 1 7   4  14 o 1769.930 49.85745 80.21330       4.224898  83.18295       7.322532  78.73139       5.172729  1788.617 80.86496 1751.243 58.34311 37.37341       99.71490 
1 1 1 7   4  15 o 921.7800 48.06910 22.63135       2.065621  23.45061       2.525763  20.97678       3.589429  953.3687 52.53242 890.1913 80.51645 63.17743       96.13820 
1 1 1 7   4  16 o 516.8580 44.41477 7.135863       1.123493  7.870994       1.540976  6.301690       1.641503  548.0592 56.33941 485.6568 68.67722 62.40237       88.82954 
1 1 1 7   4  17 o 285.2799 62.94562 2.223699       0.9699222 2.249230       1.176769  2.169609       1.712850  284.6894 78.90977 285.8705 98.09105 -1.181152      125.8912 
1 1 1 7   4  18 o 557.1936 57.29287 8.509979       1.518402  9.055379       2.501814  8.191923       1.910511  565.5338 90.42663 548.8534 70.37695 16.68036       114.5857 
1 1 1 7   4  19 o 668.5993 54.26156 11.92192       1.745310  14.77985       2.955804  10.39213       2.162552  723.4227 82.16228 613.7759 70.89871 109.6469       108.5231 
1 1 1 7   4  20 o 209.9229 82.88915 0.9505774      1.301050  0.9505774      1.301050  0.000000       0.000000  209.9229 82.88915 ?        ?        ?              ?        
1 1 1 7   4  21 o 353.5466 73.81959 4.205029       1.362202  4.348872       1.596743  3.820421       2.610952  377.2638 85.56760 329.8294 120.3142 47.43439       147.6392 
1 1 1 7   4  22 o 178.0275 58.85580 -1.074841      1.362067  -2.497707      2.076329  0.7368350E-05  1.804628  162.1330 78.92541 193.9219 87.33157 -31.78882      117.7116 
1 1 1 7   5  0  o 603.9872 42.60039 9.367316       1.184048  9.381486       1.425428  9.335778       2.126608  606.3252 46.79822 601.6491 71.19761 4.676086       85.20078 
1 1 1 7   5  1  o 1307.741 44.73748 44.28984       2.744382  45.72580       3.347489  41.34620       4.792820  1342.631 49.24689 1272.851 74.70284 69.77966       89.47497 
1 1 1 7   5  2  o 2376.441 57.26891 144.8896       6.454498  147.3972       7.893793  139.8311       11.21174  2409.646 64.70664 2343.236 94.50906 66.40967       114.5378 
1 1 1 7   5  3  o 1385.070 43.53000 48.46415       2.893321  47.87854       3.562092  49.59970       4.960219  1374.201 51.20016 1395.940 70.41297 -21.73889      87.06000 
1 1 1 7   5  4  o 1831.912 48.35315 84.30335       4.257082  82.42538       5.224236  88.01483       7.344338  1802.658 57.24346 1861.167 77.94418 -58.50916      96.70631 
1 1 1 7   5  5  o 3179.182 69.76421 259.8844       10.55051  252.1226       18.23657  263.7893       12.93499  3138.697 114.7652 3219.666 79.35450 -80.96851      139.5284 
1 1 1 7   5  6  o 1744.461 39.50031 77.33734       3.488282  75.99998       4.907803  78.70273       4.958946  1729.196 56.06079 1759.726 55.66225 -30.52954      79.00063 
1 1 1 7   5  7  o 717.1560 34.42208 13.10946       1.241315  12.52039       1.715588  13.75670       1.798300  700.1968 48.69904 734.1152 48.66129 -33.91833      68.84415 
1 1 1 7   5  8  o 782.9828 34.31920 15.64385       1.352718  16.06250       1.895587  15.20943       1.930968  793.8384 47.38196 772.1273 49.66064 21.71118       68.63840 
1 1 1 7   5  9  o 217.5950 56.03806 1.010305       0.7885455 0.3367862      1.450320  1.292965       0.9395536 207.6734 85.52059 227.5166 72.43815 -19.84322      112.0761 
1 1 1 7   5  10 o 1131.279 45.70963 32.55995       2.431756  32.35442       2.945169  33.00023       4.310519  1128.227 51.56205 1134.332 75.49064 -6.104736      91.41927 
1 1 1 7   5  11 o 330.6127 58.09369 2.885324       0.9702966 2.435480       1.317645  3.418243       1.434161  303.1982 83.28448 358.0273 81.01360 -54.82910      116.1874 
1 1 1 7   5  12 o 1971.856 52.20209 99.84416       4.910994  100.1328       8.505842  99.69984       6.014802  1969.046 85.32531 1974.667 60.16498 -5.621704      104.4042 
1 1 1 7   5  13 o 1336.886 37.29288 45.65287       2.523495  47.05674       3.601280  44.29859       3.537106  1357.148 52.41383 1316.623 53.06435 40.52515       74.58575 
1 1 1 7   5  14 o 336.2851 59.82397 3.224323       1.043346  1.979037       1.659671  4.038030       1.341595  283.1351 96.56358 389.4351 70.64776 -106.3000      119.6479 
1 1 1 7   5  15 o 747.0438 49.03187 13.79283       1.672801  12.64030       1.962099  16.85975       3.200709  697.6529 56.02428 796.4348 80.48464 -98.78186      98.06374 
1 1 1 7   5  16 o 670.7288 41.65339 11.97639       1.371186  14.12086       1.906485  9.678376       1.973554  737.0779 51.41206 604.3796 65.55014 132.6982       83.30679 
1 1 1 7   5  17 o 291.2975 61.83996 2.365665       1.003760  2.883161       1.389261  1.800474       1.451870  319.9034 84.51445 262.6916 90.29967 57.21176       123.6799 
1 1 1 7   5  18 o 312.0326 62.67849 2.804296       1.044323  3.166122       1.447198  2.411166       1.508500  332.3465 85.51526 291.7187 91.65977 40.62778       125.3570 
1 1 1 7   5  19 o 514.3253 54.22132 7.396934       1.361748  6.860696       1.816599  8.084764       2.057410  494.0185 74.98878 534.6322 78.33574 -40.61371      108.4426 
1 1 1 7   5  20 o 249.3556 73.94764 1.278850       1.361115  1.294461       1.523486  1.217100       3.029953  230.8550 90.13386 267.8561 117.2557 -37.00107      147.8953 
1 1 1 7   5  21 o 584.9427 57.66293 10.53384       1.556962  12.94656       2.094542  7.554317       2.327607  682.2606 61.29343 487.6248 97.68914 194.6359       115.3259 
1 1 1 7   5  22 o 396.0021 72.08268 5.538252       1.436844  5.829428       1.781806  4.996838       2.429671  430.7608 84.72231 361.2434 116.6438 69.51736       144.1654 
1 1 1 7   6  0  o 646.0105 45.50485 11.48331       1.313296  12.87782       1.611825  8.728992       2.265246  711.3375 44.98851 580.6835 79.11258 130.6540       91.00970 
1 1 1 7   6  1  o 1200.733 43.75017 36.91517       2.476234  37.40170       3.017880  35.91267       4.331990  1214.587 49.07832 1186.879 72.44051 27.70752       87.50034 
1 1 1 7   6  2  o 2956.874 74.09188 222.0648       11.09142  222.0648       11.09142  0.000000       0.000000  2956.874 74.09188 ?        ?        ?              ?        
1 1 1 7   6  3  o 1634.678 53.50980 67.76111       4.428423  67.76111       4.428423  0.000000       0.000000  1634.678 53.50980 ?        ?        ?              ?        
1 1 1 7   6  4  o 2484.121 47.47619 156.7528       5.967959  150.9899       8.431022  162.5403       8.448943  2438.209 68.30077 2530.033 65.96180 -91.82446      94.95238 
1 1 1 7   6  5  o 737.8857 41.54769 14.23571       1.459159  12.85702       2.417462  15.02587       1.830140  707.6830 68.32364 768.0884 47.29400 -60.40540      83.09538 
1 1 1 7   6  6  o 422.1402 40.25867 4.613821       0.8345098 4.094128       1.162550  5.166269       1.198627  396.7238 59.73378 447.5566 53.98996 -50.83282      80.51733 
1 1 1 7   6  7  o 1880.021 40.91835 89.99145       3.894610  90.15578       5.508576  89.82720       5.507044  1881.745 57.82224 1878.296 57.91231 3.449097       81.83671 
1 1 1 7   6  8  o 957.8664 33.92405 23.33151       1.641889  23.97514       2.331041  22.69779       2.313026  971.6407 47.38714 944.0920 48.55742 27.54871       67.84809 
1 1 1 7   6  9  o 1760.697 50.26495 80.04338       4.190984  76.09330       7.268586  82.01062       5.129506  1725.448 83.20785 1795.945 56.41557 -70.49622      100.5299 
1 1 1 7   6  10 o 1734.518 48.76315 76.15688       4.005054  75.04141       4.852702  78.53992       7.092878  1717.180 55.81926 1751.856 79.97243 -34.67615      97.52631 
1 1 1 7   6  11 f 2317.159 46.11807 137.2712       5.410098  137.9660       7.647341  136.5750       7.654732  2323.099 65.02181 2311.219 65.41919 11.87964       92.23615 
1 1 1 7   6  12 o 854.7623 45.71236 18.98974       1.843331  18.33325       3.175309  19.32344       2.263851  840.7615 75.39963 868.7632 51.70470 -28.00177      91.42473 
1 1 1 7   6  13 o 1712.836 40.49183 75.14607       3.511256  75.01717       4.952909  75.27631       4.978519  1711.394 57.16454 1714.277 57.36347 -2.883423      80.98366 
1 1 1 7   6  14 o 1285.152 37.55019 42.41558       2.440185  40.04296       3.451389  44.78698       3.450496  1248.693 54.59523 1321.611 51.56966 -72.91809      75.10039 
1 1 1 7   6  15 o 652.2151 39.95465 11.02766       1.302014  9.936334       1.779855  12.28395       1.909639  617.0543 57.64171 687.3759 55.34375 -70.32159      79.90931 
1 1 1 7   6  16 o 246.1863 64.68483 1.352838       1.019008  1.350859       1.224316  1.357298       1.838322  235.1313 82.79683 257.2414 99.40419 -22.11009      129.3697 
1 1 1 7   6  17 f 557.3842 54.43201 8.080969       1.455502  10.97142       2.376577  6.346117       1.841197  635.1258 75.38264 479.6425 78.54192 155.4833       108.8640 
1 1 1 7   6  18 o 906.7998 39.15679 21.63479       1.782159  19.24856       2.434945  24.38788       2.615428  852.0618 56.77117 961.5378 53.94489 -109.4761      78.31358 
1 1 1 7   6  19 f 404.6761 61.78225 5.039215       1.212224  5.796041       1.561501  3.891247       1.923132  455.2322 69.99400 354.1199 101.8284 101.1123       123.5645 
1 1 1 7   6  20 o 191.6357 58.23139 0.3103451      1.028583  0.7890295      1.273182  -0.5891768     1.745307  200.8466 81.08611 182.4248 83.59798 18.42183       116.4628 
1 1 1 7   6  21 o 219.5307 63.75938 0.8590063      1.205486  1.796504       1.614460  -0.3222874     1.812262  249.4645 93.94123 189.5970 86.23269 59.86754       127.5188 
1 1 1 7   7  0  o 2698.795 50.00873 184.9442       6.832768  185.6945       9.662933  184.1938       9.663054  2704.287 70.57851 2693.303 70.86723 10.98389       100.0175 
1 1 1 7   7  1  o 303.3182 59.45086 2.388626       0.9257686 2.457508       1.503276  2.346541       1.175018  308.2678 90.43226 298.3686 77.19860 9.899261       118.9017 
1 1 1 7   7  2  o 1224.606 41.24798 37.93305       2.432605  37.55439       3.009465  38.64681       4.131842  1217.103 48.84030 1232.109 66.48465 -15.00635      82.49596 
1 1 1 7   7  3  o 1021.087 41.48236 26.10605       1.993858  25.40749       2.404378  27.64413       3.567719  1001.058 47.44164 1041.116 68.06201 -40.05743      82.96473 
1 1 1 7   7  4  o 1134.851 48.66548 32.70026       2.775255  29.84820       3.780685  36.03281       4.086769  1081.190 69.43649 1188.512 68.20477 -107.3224      97.33096 
1 1 1 7   7  5  o 1681.548 38.71587 71.87996       3.294586  69.23724       4.644080  74.55748       4.674565  1650.324 55.58362 1712.772 53.90859 -62.44861      77.43175 
1 1 1 7   7  6  o 307.0964 47.04442 2.511190       0.7254326 3.634848       1.046146  1.470430       1.006817  373.6518 57.11602 240.5410 74.76945 133.1108       94.08884 
1 1 1 7   7  7  o 2310.517 45.76159 136.0605       5.352524  133.7659       7.553422  138.3750       7.585907  2290.850 65.12737 2330.184 64.30334 -39.33447      91.52319 
1 1 1 7   7  8  o 2194.121 44.26129 122.5717       4.914130  117.9355       6.943006  127.2256       6.956273  2152.316 63.71737 2235.925 61.45195 -83.60938      88.52258 
1 1 1 7   7  9  o 696.5522 35.86910 12.38149       1.248477  10.67765       1.728826  14.23848       1.804852  645.9241 53.34451 747.1804 47.96596 -101.2563      71.73820 
1 1 1 7   7  10 o 967.1583 41.78311 23.88960       1.928054  23.87394       2.372183  23.92009       3.309530  968.9384 48.35800 965.3782 68.15289 3.560181       83.56622 
1 1 1 7   7  11 f 477.8029 53.16213 6.444801       1.150864  4.548322       1.861123  7.618959       1.464416  411.6371 91.65913 543.9686 53.88371 -132.3315      106.3243 
1 1 1 7   7  12 o 872.7198 36.81947 19.51374       1.615371  21.32118       2.310239  17.78472       2.259565  912.7658 50.18629 832.6738 53.88906 80.09204       73.63895 
1 1 1 7   7  13 o 550.4403 44.43358 7.886818       1.203321  7.899119       1.595282  7.870581       1.832852  552.0596 57.94199 548.8209 67.38025 3.238708       88.86716 
1 1 1 7   7  14 o 1061.688 46.00647 29.02823       2.321054  28.50838       2.836518  30.08167       4.037839  1051.818 53.44302 1071.557 74.90144 -19.73914      92.01294 
1 1 1 7   7  15 f 725.6293 48.00675 13.77950       1.691438  14.36682       2.762966  13.42745       2.139119  734.6127 75.35752 716.6460 59.49653 17.96667       96.01350 
1 1 1 7   7  16 o 1191.562 53.02024 36.90596       3.198468  36.90596       3.198468  0.000000       0.000000  1191.562 53.02024 ?        ?        ?              ?        
1 1 1 7   7  17 o 1252.422 48.84332 42.88622       2.909909  38.90851       4.858115  45.11181       3.633912  1192.703 80.93381 1312.142 54.70283 -119.4396      97.68665 
1 1 1 7   7  18 o 289.1190 63.78560 2.436338       1.040966  2.741840       1.321684  1.937205       1.689387  308.6431 82.84774 269.5948 97.00858 39.04825       127.5712 
1 1 1 7   7  19 o 625.0156 47.81049 10.73361       1.475384  9.096506       1.989902  12.73230       2.198704  569.8722 70.47383 680.1590 64.62827 -110.2868      95.62099 
1 1 1 7   7  20 o 466.1062 70.50832 7.117902       1.600472  5.885127       2.465452  8.015775       2.104078  413.6114 114.0513 518.6010 82.93362 -104.9896      141.0166 
1 1 1 7   7  21 o 542.6286 80.67787 8.845997       2.148916  8.845997       2.148916  0.000000       0.000000  542.6286 80.67787 ?        ?        ?              ?        
1 1 1 7   8  0  o 1768.856 54.46762 79.42484       4.870502  85.69099       7.004947  73.56059       6.776590  1836.470 75.34203 1701.241 78.67951 135.2288       108.9352 
1 1 1 7   8  1  o 2258.921 63.07087 129.8400       7.212090  132.2982       10.29023  127.4668       10.11101  2279.937 89.14940 2237.906 89.24192 42.03052       126.1417 
1 1 1 7   8  2  o 1691.431 54.12010 72.67656       4.631501  76.36048       6.657763  69.22200       6.447175  1732.989 75.88377 1649.872 77.18545 83.11670       108.2402 
1 1 1 7   8  3  o 1927.940 57.70758 94.39536       5.632614  0.000000       0.000000  94.39536       5.632614  ?        ?        1927.940 57.70758 ?              ?        
1 1 1 7   8  4  o 1772.925 55.06936 80.05904       4.932943  73.19012       6.834140  87.53049       7.127580  1693.338 79.71806 1852.512 75.99717 -159.1744      110.1387 
1 1 1 7   8  5  o 2112.645 51.63886 112.6916       5.201123  110.1616       6.331470  117.9419       9.120785  2079.683 60.13452 2145.606 83.96504 -65.92383      103.2777 
1 1 1 7   8  6  o 343.7319 46.68867 3.235834       0.7740766 4.335221       1.071758  2.036958       1.119202  409.4499 52.94248 278.0139 76.91829 131.4360       93.37735 
1 1 1 7   8  7  o 244.0390 51.07962 1.526970       0.6917585 1.075879       0.9868439 1.962759       0.9699630 215.7479 74.43064 272.3300 69.97565 -56.58208      102.1592 
1 1 1 7   8  8  o 730.6133 35.08345 13.58342       1.288113  12.81483       1.767274  14.45450       1.881412  708.5327 49.57996 752.6940 49.65100 -44.16132      70.16690 
1 1 1 7   8  9  o 990.2911 35.15257 24.96816       1.758592  25.52012       2.474515  24.40489       2.499728  1002.082 48.77564 978.4999 50.63348 23.58258       70.30514 
1 1 1 7   8  10 o 2584.268 70.68529 172.9047       9.244449  169.0838       13.15004  176.6380       12.99853  2555.063 101.6580 2613.472 98.24097 -58.40894      141.3706 
1 1 1 7   8  11 o 2192.008 64.47076 124.5380       7.152726  124.3220       9.997101  124.7644       10.23817  2190.641 90.14036 2193.376 92.19886 -2.735596      128.9415 
1 1 1 7   8  12 f 1473.797 38.66827 55.55179       2.885000  56.39108       4.085414  54.71693       4.074619  1484.996 54.34095 1462.599 55.02729 22.39722       77.33655 
1 1 1 7   8  13 o 527.2155 43.77763 7.271332       1.136729  7.468031       1.530303  7.029195       1.697880  536.4032 57.23488 518.0278 66.25778 18.37543       87.55527 
1 1 1 7   8  14 o 563.8244 43.67118 8.235418       1.218690  7.250280       1.633026  9.473711       1.830865  525.5062 62.61340 602.1426 60.89541 -76.63635      87.34236 
1 1 1 7   8  15 o 328.5290 62.26403 3.158270       1.107281  1.750582       1.775377  4.054438       1.416551  271.5981 99.19054 385.4598 75.28928 -113.8617      124.5281 
1 1 1 7   8  16 o 496.8798 62.20535 6.883152       1.375644  6.876246       1.637420  6.899721       2.536279  506.5276 65.37777 487.2321 105.8479 19.29547       124.4107 
1 1 1 7   8  17 o 485.8128 51.32587 6.484356       1.217059  6.560034       1.647547  6.393456       1.805662  491.1755 68.08591 480.4500 76.82245 10.72552       102.6517 
1 1 1 7   8  18 o 443.6322 51.80730 5.538995       1.112528  5.863204       1.504274  5.147549       1.652915  462.0544 66.19734 425.2099 79.71133 36.84451       103.6146 
1 1 1 7   8  19 o 598.1702 49.25031 10.21433       1.414747  12.42484       1.974336  7.881424       2.028263  675.0980 58.33900 521.2424 79.36582 153.8556       98.50063 
1 1 1 7   8  20 o 334.8090 76.45205 3.465563       1.480280  5.570140       2.439291  2.238715       1.862415  398.6784 114.6942 270.9395 101.1183 127.7389       152.9041 
1 1 1 7   8  21 o 184.4722 81.49139 0.1387484      1.494320  0.1387484      1.494320  0.000000       0.000000  184.4722 81.49139 ?        ?        ?              ?        
1 1 1 7   9  0  o 1044.082 47.81824 27.82364       2.509856  27.77102       3.652442  27.87071       3.454747  1042.894 69.57596 1045.270 65.61647 -2.375610      95.63647 
1 1 1 7   9  1  o 1720.704 48.84269 75.26421       3.988895  75.37093       6.985163  75.21256       4.859093  1720.245 80.20519 1721.164 55.76342 -0.9184570     97.68537 
1 1 1 7   9  2  o 2618.858 69.51195 174.5579       9.216268  0.000000       0.000000  174.5579       9.216268  ?        ?        2618.858 69.51195 ?              ?        
1 1 1 7   9  3  o 571.9308 46.10389 8.358351       1.323610  0.000000       0.000000  8.358351       1.323610  ?        ?        571.9308 46.10389 ?              ?        
1 1 1 7   9  4  o 1302.672 44.74308 43.77069       2.746878  42.04725       4.791611  44.61432       3.352435  1280.631 74.22331 1324.714 49.98672 -44.08289      89.48616 
1 1 1 7   9  5  o 2359.128 58.13924 143.9978       6.487487  146.5268       7.919426  138.8385       11.31156  2396.370 65.27639 2321.886 96.22723 74.48413       116.2785 
1 1 1 7   9  6  o 2254.074 44.29284 129.4449       5.054506  129.9686       7.138688  128.9185       7.157653  2258.694 62.42770 2249.454 62.85066 9.239990       88.58569 
1 1 1 7   9  7  o 1620.275 38.16323 66.77096       3.126615  70.99048       4.440919  62.62370       4.402730  1671.243 52.48675 1569.306 55.41542 101.9365       76.32645 
1 1 1 7   9  8  o 808.7075 35.88356 16.69099       1.460814  16.82350       2.035103  16.55014       2.098146  812.1573 49.73473 805.2578 51.73949 6.899475       71.76711 
1 1 1 7   9  9  o 1037.548 42.60303 27.87580       2.118314  28.76621       2.641368  26.27092       3.546146  1063.506 49.05750 1011.589 69.66660 51.91656       85.20605 
1 1 1 7   9  10 o 773.4639 51.07128 16.91189       1.739534  11.94140       2.990540  19.45367       2.138548  674.2764 89.84047 872.6515 48.59829 -198.3751      102.1426 
1 1 1 7   9  11 o 2137.571 56.82110 120.1408       5.721775  124.1384       6.994270  112.0525       9.948760  2200.703 62.77654 2074.438 94.72939 126.2642       113.6422 
1 1 1 7   9  12 o 1483.701 38.87997 56.33600       2.919544  54.50546       4.075805  58.26506       4.184041  1458.901 55.18284 1508.501 54.78562 -49.60083      77.75995 
1 1 1 7   9  13 f 211.4537 58.34690 0.7435688      0.9034705 0.6038534      1.259024  0.8918931      1.297233  204.0772 81.23502 218.8301 83.77539 -14.75288      116.6938 
1 1 1 7   9  14 o 670.1975 38.54778 11.60318       1.282280  9.509445       1.745203  14.05957       1.890313  603.3970 57.83803 736.9980 50.97535 -133.6010      77.09555 
1 1 1 7   9  15 o 277.2872 68.67621 1.934038       1.205252  1.440048       1.702882  2.429891       1.706090  255.4580 96.41634 299.1164 97.82421 -43.65837      137.3524 
1 1 1 7   9  16 o 541.3273 70.29222 8.172016       1.787226  7.550560       2.212636  9.338600       3.031539  519.0766 87.29495 563.5781 110.1979 -44.50146      140.5844 
1 1 1 7   9  17 o 962.1998 38.99817 24.45004       1.888984  24.11952       2.595417  24.82232       2.754532  956.2286 53.83096 968.1710 56.44163 -11.94244      77.99635 
1 1 1 7   9  18 o 274.8488 64.11501 2.179989       1.036363  2.079420       1.475544  2.277903       1.455929  269.9003 91.05453 279.7973 90.28848 -9.896973      128.2300 
1 1 1 7   9  19 o 334.1398 65.15198 3.499831       1.179700  2.434342       1.668772  4.564236       1.667923  281.3182 96.80398 386.9613 87.22448 -105.6431      130.3040 
1 1 1 7   9  20 o 419.2946 65.49788 5.559317       1.355078  4.902722       1.873256  6.280040       1.962604  389.6006 95.67108 448.9885 89.48146 -59.38794      130.9958 
1 1 1 7   9  21 o 448.8142 80.13950 6.197169       1.754137  6.197169       1.754137  0.000000       0.000000  448.8142 80.13950 ?        ?        ?              ?        
1 1 1 7   10 0  o 1439.826 45.22763 52.23330       3.089824  54.56866       5.443915  51.12346       3.752872  1461.104 73.83405 1418.548 52.25597 42.55566       90.45525 
1 1 1 7   10 1  o 752.6373 39.10759 14.43160       1.415815  14.64207       2.380714  14.31643       1.761082  755.8432 62.78279 749.4315 46.64691 6.411682       78.21517 
1 1 1 7   10 2  o 2187.716 54.27415 125.6510       5.609603  112.5426       9.603069  132.4408       6.911375  2094.679 90.55428 2280.752 59.85532 -186.0732      108.5483 
1 1 1 7   10 3  o 1204.783 34.95082 36.91028       2.130686  38.48798       3.026486  35.35989       3.000176  1230.402 48.58566 1179.164 50.25608 51.23755       69.90164 
1 1 1 7   10 4  o 1686.801 47.40648 72.15387       3.811469  74.11977       6.657916  71.19553       4.648561  1701.390 77.29488 1672.212 54.90901 29.17834       94.81297 
1 1 1 7   10 5  o 1524.763 37.83575 59.15426       2.919760  60.95037       4.132471  57.36388       4.125866  1547.987 52.73013 1501.538 54.27440 46.44849       75.67151 
1 1 1 7   10 6  o 1139.793 44.41891 33.02601       2.366912  32.81780       2.851545  33.48724       4.244090  1136.482 49.56033 1143.104 73.72878 -6.622681      88.83782 
1 1 1 7   10 7  o 806.4170 35.23564 16.58495       1.431399  16.33536       2.011126  16.84119       2.037744  800.2407 49.88873 812.5933 49.77265 -12.35266      70.47128 
1 1 1 7   10 8  o 1767.154 40.43651 79.51670       3.616850  77.28446       5.099174  81.77687       5.130969  1742.079 57.81602 1792.229 56.54867 -50.14905      80.87302 
1 1 1 7   10 9  o 507.1779 48.80446 7.044152       1.140245  8.013164       1.455123  5.502502       1.835388  558.4795 52.06479 455.8763 82.56367 102.6032       97.60892 
1 1 1 7   10 10 o 186.2794 54.17417 0.3196357      0.7989690 0.1637086      1.334166  0.4068223      0.9976400 192.7456 80.90804 179.8133 72.06422 12.93237       108.3483 
1 1 1 7   10 11 o 619.4207 39.35090 9.892832       1.219963  9.947133       1.761305  9.842755       1.691393  620.8607 56.65884 617.9807 54.62371 2.880005       78.70181 
1 1 1 7   10 12 o 587.9781 41.76094 8.976465       1.220435  8.885310       1.808406  9.052704       1.653844  584.4681 62.06524 591.4882 55.89107 -7.020081      83.52189 
1 1 1 7   10 13 o 245.0297 59.13596 1.466339       0.8903025 1.122862       1.278621  1.789590       1.240404  228.1183 84.04579 261.9412 83.21391 -33.82292      118.2719 
1 1 1 7   10 14 o 418.3622 51.40288 4.781657       1.035994  5.121014       1.384399  4.349739       1.561830  438.5108 64.26591 398.2137 80.24287 40.29709       102.8058 
1 1 1 7   10 15 o 602.0044 50.47644 9.881563       1.419184  10.19141       1.763186  9.311517       2.391557  622.2546 56.58731 581.7541 83.60240 40.50055       100.9529 
1 1 1 7   10 16 o 633.8494 52.50646 11.27511       1.575420  9.562860       2.479960  12.43362       2.039912  583.8268 86.52190 683.8719 59.51197 -100.0452      105.0129 
1 1 1 7   10 17 o 287.8736 61.63339 2.272810       0.9702350 1.743268       1.250175  3.074776       1.538504  251.9433 83.80485 323.8038 90.39606 -71.86053      123.2668 
1 1 1 7   10 18 o 1031.214 40.83287 28.71932       2.122302  29.33643       2.983241  28.08697       3.019871  1043.639 56.67429 1018.790 58.79897 24.84845       81.66574 
1 1 1 7   10 19 o 563.1909 51.36237 9.165931       1.421030  10.18380       2.018986  8.166688       2.000423  598.8243 67.79044 527.5576 77.18048 71.26672       102.7247 
1 1 1 7   10 20 o 340.5543 74.17631 4.005732       1.392800  4.031684       1.781980  3.964986       2.232851  348.6129 97.27365 332.4957 112.0104 16.11719       148.3526 
1 1 1 7   10 21 o 342.5145 78.80582 4.625831       1.587846  4.040365       2.759368  4.915669       1.941499  311.7160 121.4144 373.3130 100.4986 -61.59708      157.6116 
1 1 1 7   11 0  o 2863.126 75.14187 211.8769       10.88806  213.0519       15.22205  210.6460       15.58029  2872.122 104.6855 2854.131 107.8246 17.99072       150.2837 
1 1 1 7   11 1  o 1875.668 48.22237 89.57792       4.358213  90.73107       7.420336  88.97064       5.384865  1882.347 77.86464 1868.989 56.90946 13.35803       96.44475 
1 1 1 7   11 2  o 1245.969 45.39563 40.25738       2.641483  41.25137       3.205372  38.15378       4.663030  1273.455 49.71771 1218.483 75.96842 54.97253       90.79125 
1 1 1 7   11 3  o 2056.976 42.29411 107.8766       4.401920  112.4640       6.242477  103.3394       6.208174  2100.746 58.69482 2013.206 60.91046 87.53967       84.58821 
1 1 1 7   11 4  o 693.9664 60.42133 12.65984       2.018384  15.99465       2.889544  9.482369       2.820558  787.8741 73.28180 600.0587 96.08707 187.8154       120.8427 
1 1 1 7   11 5  o 2236.434 56.85246 129.2401       6.012191  124.1078       10.48059  131.7574       7.339990  2198.767 94.15061 2274.102 63.75319 -75.33496      113.7049 
1 1 1 7   11 6  o 2027.361 52.32013 103.7471       5.034155  101.5653       6.103487  108.3898       8.903316  1997.316 60.35977 2057.406 85.47678 -60.08911      104.6403 
1 1 1 7   11 7  o 2378.297 47.11621 144.3100       5.671689  140.3897       8.009792  148.2522       8.032214  2345.673 67.44817 2410.921 65.80648 -65.24805      94.23241 
1 1 1 7   11 8  o 584.7219 42.94511 8.356359       1.217999  6.631101       1.532394  11.31627       2.007164  506.1763 61.02859 663.2676 60.43707 -157.0913      85.89021 
1 1 1 7   11 9  o 777.5144 36.16321 15.49576       1.413816  15.89307       1.968620  15.07255       2.031748  788.1274 49.59092 766.9014 52.64838 21.22601       72.32642 
1 1 1 7   11 10 o 935.1815 40.83074 21.73436       1.851657  25.15575       3.157626  19.94122       2.285951  988.2033 63.45012 882.1597 51.40701 106.0436       81.66148 
1 1 1 7   11 11 o 428.6439 59.04734 4.742544       1.116487  5.335985       2.166719  4.528008       1.302760  442.3466 99.19812 414.9412 64.07874 27.40540       118.0947 
1 1 1 7   11 12 o 372.6054 69.06921 2.979951       1.174109  2.140785       1.331343  5.916445       2.490467  283.8462 85.55824 461.3646 108.4528 -177.5183      138.1384 
1 1 1 7   11 13 o 172.0466 49.39199 -0.3645989E-01 0.7572112 1.005289       1.050899  -1.161288      1.092000  211.4025 76.44984 132.6907 62.55953 78.71184       98.78397 
1 1 1 7   11 14 o 287.1559 58.42972 2.262574       0.8909354 2.147649       1.193688  2.407116       1.338688  279.4392 80.18760 294.8726 85.00634 -15.43341      116.8594 
1 1 1 7   11 15 o 476.1180 51.48272 6.210812       1.169711  4.489532       1.609952  8.135346       1.702355  400.1065 82.22812 552.1295 61.97111 -152.0230      102.9654 
1 1 1 7   11 16 o 717.9117 52.42014 14.36109       1.768524  13.25315       2.948670  14.98356       2.210179  685.6845 86.89063 750.1390 58.66430 -64.45453      104.8403 
1 1 1 7   11 17 o 316.2704 70.82478 2.257312       1.184929  1.303832       1.369385  5.098692       2.363930  231.3306 86.63389 401.2103 112.0677 -169.8797      141.6496 
1 1 1 7   11 18 o 296.2589 66.28030 2.703441       1.116996  2.413380       1.554315  3.013232       1.606310  281.5353 93.43466 310.9824 94.03339 -29.44714      132.5606 
1 1 1 7   11 19 o 324.6115 65.82207 3.417951       1.145653  3.783416       1.593882  3.027312       1.647862  344.6304 90.27474 304.5927 95.81573 40.03775       131.6441 
1 1 1 7   11 20 o 232.1358 65.94367 1.432059       1.171322  1.394220       1.523434  1.486771       1.831892  227.3542 89.71865 236.9175 96.66869 -9.563309      131.8873 
1 1 1 7   12 0  o 1703.586 46.80531 73.90364       3.857917  74.82011       6.509817  73.40752       4.789620  1709.540 75.21523 1697.632 55.72807 11.90881       93.61062 
1 1 1 7   12 1  o 2598.752 49.35897 172.5981       6.493977  171.6511       9.163795  173.5535       9.204079  2591.577 69.84375 2605.927 69.76448 -14.35059      98.71794 
1 1 1 7   12 2  o 1837.581 40.61266 86.00353       3.775986  82.09927       5.310156  89.99697       5.370456  1795.198 58.42668 1879.963 56.42585 -84.76501      81.22533 
1 1 1 7   12 3  o 1004.817 35.15757 25.70851       1.783116  27.27231       2.534380  24.17560       2.509220  1035.882 48.32565 973.7518 51.07689 62.13049       70.31513 
1 1 1 7   12 4  f 1189.900 35.44153 35.98537       2.133937  37.56226       3.036248  34.44614       2.999768  1215.734 49.33044 1164.066 50.90103 51.66858       70.88306 
1 1 1 7   12 5  o 855.4360 42.86330 18.38193       1.708467  19.64430       3.101393  17.83195       2.047073  874.5735 70.64811 836.2986 48.55814 38.27496       85.72659 
1 1 1 7   12 6  o 2868.943 67.39725 213.6144       9.142011  217.2097       11.15601  206.2640       15.95123  2914.493 75.60702 2823.392 111.5936 91.10156       134.7945 
1 1 1 7   12 7  o 2071.563 43.71931 109.5286       4.584584  107.2663       6.469153  111.8111       6.498105  2049.934 62.33385 2093.192 61.31886 -43.25781      87.43861 
1 1 1 7   12 8  o 275.2306 54.21505 2.028661       0.7833331 2.238250       1.021404  1.729337       1.220630  289.7216 70.34131 260.7396 82.51778 28.98199       108.4301 
1 1 1 7   12 9  o 1369.513 45.89633 48.84512       3.004247  46.14244       5.071669  50.30610       3.728861  1335.670 75.30836 1403.355 52.48374 -67.68506      91.79266 
1 1 1 7   12 10 o 223.2465 50.85287 1.252517       0.6552614 1.117493       0.9264608 1.387668       0.9268985 214.5355 72.15156 231.9574 71.68133 -17.42194      101.7057 
1 1 1 7   12 11 f 664.0314 50.21059 11.06574       1.545583  12.85544       2.828645  10.30399       1.845425  697.6188 81.63331 630.4441 58.48434 67.17468       100.4212 
1 1 1 7   12 12 o 210.6669 64.44158 0.2096544      1.028937  0.3357593      1.136538  -0.3633264     2.422635  184.5215 75.81335 236.8122 104.2267 -52.29062      128.8832 
1 1 1 7   12 13 o 714.0710 40.16156 13.31672       1.439486  12.90087       2.014097  13.75093       2.058097  702.4854 57.12650 725.6567 56.46563 -23.17126      80.32312 
1 1 1 7   12 14 o 237.3983 58.98621 0.8417424      0.9422166 -0.1977456     1.177246  2.694301       1.571606  165.3844 72.72563 309.4123 92.88957 -144.0279      117.9724 
1 1 1 7   12 15 o 996.1017 44.88212 25.83124       2.186982  29.20987       3.625235  23.89815       2.742159  1041.464 69.14874 950.7393 57.23697 90.72485       89.76424 
1 1 1 7   12 16 o 258.9204 67.02119 1.754420       1.188507  0.4008982      2.151988  2.348458       1.425655  232.1085 100.2332 285.7322 88.99818 -53.62372      134.0424 
1 1 1 7   12 17 f 312.8178 69.29308 2.036743       1.254610  0.5732066      1.486588  5.659464       2.338871  204.8768 85.66298 420.7588 108.9402 -215.8820      138.5862 
1 1 1 7   12 18 o 333.0562 65.48470 3.528418       1.147099  3.280554       1.644011  3.763576       1.601318  320.0495 94.76199 346.0629 90.40547 -26.01337      130.9694 
1 1 1 7   12 19 f 178.5240 55.46102 0.1573102      0.9575695 -0.5133885E-01 1.509249  0.2978934      1.238851  179.9720 80.54886 177.0760 76.25996 2.895981       110.9220 
1 1 1 7   12 20 o 248.5408 66.15914 1.804384       1.207352  0.6521677      1.697336  2.984491       1.717756  204.3608 88.63265 292.7209 98.24653 -88.36015      132.3183 
1 1 1 7   13 0  f 886.1389 38.48902 19.97742       1.653481  19.77168       2.069684  20.34043       2.749125  880.8835 46.57448 891.3943 61.28978 -10.51086      76.97804 
1 1 1 7   13 1  o 735.1068 39.41278 13.95732       1.418107  13.23133       2.240290  14.44271       1.831824  717.9246 62.25328 752.2889 48.35286 -34.36426      78.82557 
1 1 1 7   13 2  o 1202.625 49.54360 36.76331       3.016488  0.000000       0.000000  36.76331       3.016488  ?        ?        1202.625 49.54360 ?              ?        
1 1 1 7   13 3  o 1331.234 35.05410 45.05938       2.361393  46.70047       3.341449  43.42209       3.337582  1355.552 48.68946 1306.915 50.44299 48.63672       70.10819 
1 1 1 7   13 4  o 1042.095 35.44757 27.60794       1.870072  27.97446       2.652733  27.24584       2.636702  1048.986 49.95053 1035.203 50.30970 13.78308       70.89514 
1 1 1 7   13 5  o 870.9697 34.20964 19.33595       1.501061  18.19627       2.098350  20.53039       2.148169  844.4951 49.29332 897.4444 47.44859 -52.94928      68.41929 
1 1 1 7   13 6  o 1751.961 47.93413 75.79339       4.011012  86.58080       7.137750  70.81480       4.849044  1837.447 76.72958 1666.475 57.47428 170.9717       95.86826 
1 1 1 7   13 7  o 693.9636 49.52152 12.33316       1.728438  12.33316       1.728438  0.000000       0.000000  693.9636 49.52152 ?        ?        ?              ?        
1 1 1 7   13 8  o 350.4114 48.67720 3.261793       0.8327244 3.311751       1.182010  3.212565       1.173338  353.1809 68.57832 347.6418 69.10061 5.539063       97.35440 
1 1 1 7   13 9  o 820.2905 42.74741 17.50519       1.690020  16.81845       2.784253  17.90582       2.126593  805.0633 68.97782 835.5176 50.51164 -30.45435      85.49483 
1 1 1 7   13 10 o 837.1960 36.05388 18.01663       1.520316  18.53119       2.147647  17.49976       2.152463  849.4232 50.16330 824.9689 51.79935 24.45428       72.10777 
1 1 1 7   13 11 o 775.5039 49.98524 16.38839       1.755835  14.14835       3.101469  17.44497       2.130051  728.4354 85.74090 822.5724 51.40618 -94.13702      99.97048 
1 1 1 7   13 12 o 472.2162 68.30910 6.231564       1.304708  6.272563       1.462161  6.071361       2.890272  487.7886 60.50710 456.6439 122.4885 31.14468       136.6182 
1 1 1 7   13 13 o 490.1489 43.35167 6.381757       1.050005  6.462439       1.538602  6.311426       1.436513  492.3750 63.18046 487.9228 59.37761 4.452240       86.70335 
1 1 1 7   13 14 o 606.3285 48.94330 9.870419       1.416431  9.703837       1.772131  10.16509       2.356960  604.5142 58.64122 608.1427 78.37725 -3.628479      97.88660 
1 1 1 7   13 15 o 200.6119 56.94244 0.6359226      0.9058025 -0.1252996E-05 1.405742  1.087417       1.184484  184.6971 80.38281 216.5266 80.67446 -31.82951      113.8849 
1 1 1 7   13 16 o 225.7218 59.92713 1.228599       0.9281719 1.293372       1.287946  1.158610       1.338797  228.0195 84.28833 223.4241 85.20869 4.595459       119.8543 
1 1 1 7   13 17 o 230.2238 68.86986 0.9914799      1.184736  1.191078       1.298559  0.3187867E-03  2.893713  219.9093 83.90644 240.5383 109.2334 -20.62898      137.7397 
1 1 1 7   13 18 o 177.3342 55.25189 0.9789662E-01  0.9234123 0.2616746      1.565936  0.1058503E-01  1.143358  192.1610 84.20296 162.5074 71.56078 29.65366       110.5038 
1 1 1 7   13 19 o 264.1027 63.89299 2.252261       1.029273  2.134591       1.495110  2.358269       1.419088  258.3396 91.43948 269.8658 89.26411 -11.52621      127.7860 
1 1 1 7   13 20 o 166.4815 75.74139 -0.1798696     1.399416  0.000000       0.000000  -0.1798696     1.399416  ?        ?        166.4815 75.74139 ?              ?        
1 1 1 7   14 0  o 1630.151 50.71374 67.68637       3.862134  67.24168       4.645010  68.68231       6.951458  1625.311 56.45031 1634.991 84.26681 -9.679199      101.4275 
1 1 1 7   14 1  o 2376.267 67.46498 145.2310       8.116116  146.0674       11.46677  144.3914       11.48910  2383.269 95.03519 2369.264 95.78312 14.00562       134.9300 
1 1 1 7   14 2  o 721.6693 53.42500 13.79200       1.847296  12.03152       2.919878  14.96694       2.385368  679.5388 86.85986 763.7999 62.22771 -84.26105      106.8500 
1 1 1 7   14 3  o 1147.625 49.54595 33.47950       2.842858  36.02272       4.353237  31.58840       3.753843  1184.832 72.92670 1110.419 67.08877 74.41333       99.09190 
1 1 1 7   14 4  o 503.1639 61.05889 7.019598       1.407677  7.827114       1.761673  5.593373       2.341229  550.0463 64.48560 456.2814 103.7032 93.76492       122.1178 
1 1 1 7   14 5  o 1016.363 41.64034 26.83302       2.026579  25.06709       3.388819  27.81617       2.528540  987.3275 68.21422 1045.398 47.77541 -58.07056      83.28067 
1 1 1 7   14 6  o 527.8824 60.38140 8.055948       1.270441  6.125444       2.589409  8.667980       1.457983  474.7760 109.8999 580.9887 50.05661 -106.2127      120.7628 
1 1 1 7   14 7  o 1638.899 55.59259 68.70164       4.612675  68.70164       4.612675  0.000000       0.000000  1638.899 55.59259 ?        ?        ?              ?        
1 1 1 7   14 8  o 914.6663 40.95988 20.74764       1.841488  25.21238       3.037201  18.15225       2.315673  989.1053 60.94917 840.2273 54.73616 148.8780       81.91976 
1 1 1 7   14 9  o 429.2001 42.18563 4.801257       0.8818242 5.786226       1.293773  3.946653       1.205117  471.8433 55.20323 386.5568 63.80527 85.28647       84.37126 
1 1 1 7   14 10 o 812.5803 35.71806 16.98803       1.460972  16.10043       2.033445  17.93507       2.100435  790.4258 51.08784 834.7347 49.93147 -44.30890      71.43613 
1 1 1 7   14 11 o 747.4307 37.65134 14.45806       1.413880  13.76295       1.947471  15.23281       2.055998  728.4072 53.17707 766.4542 53.31691 -38.04694      75.30268 
1 1 1 7   14 12 o 707.2394 38.35152 13.06688       1.362700  12.98069       1.925034  13.15345       1.929272  704.8375 54.36680 709.6412 54.10738 -4.803650      76.70305 
1 1 1 7   14 13 o 516.7148 42.86876 7.122376       1.099465  7.340560       1.552755  6.902995       1.557010  525.2429 59.43893 508.1867 61.78943 17.05612       85.73751 
1 1 1 7   14 14 o 448.4127 50.34753 5.498274       1.098096  4.702209       1.489309  6.446588       1.625500  410.8849 74.33093 485.9406 67.92942 -75.05563      100.6951 
1 1 1 7   14 15 o 565.8612 46.06128 8.765833       1.289046  9.481021       1.807788  8.026078       1.838573  591.9990 61.20094 539.7233 68.85499 52.27570       92.12255 
1 1 1 7   14 16 o 481.8398 52.30383 6.620839       1.227683  6.337993       1.806836  6.863410       1.673261  468.5290 78.98141 495.1506 68.59082 -26.62158      104.6077 
1 1 1 7   14 17 f 301.9510 69.98763 3.036807       1.207649  2.303170       2.431247  3.277107       1.391443  277.8646 112.0963 326.0375 83.83021 -48.17294      139.9753 
1 1 1 7   14 18 o 369.5732 61.46769 5.511697       1.358324  0.7284020      2.592183  7.322267       1.594813  234.0234 105.0931 505.1229 63.78523 -271.0995      122.9354 
1 1 1 7   14 19 o 224.8124 90.54080 1.391096       1.583215  1.391096       1.583215  0.000000       0.000000  224.8124 90.54080 ?        ?        ?              ?        
1 1 1 7   15 0  o 1281.271 32.55404 41.99771       2.057350  40.52356       3.273609  42.96005       2.644961  1261.921 51.24024 1300.622 40.16839 -38.70190      65.10808 
1 1 1 7   15 1  o 551.6500 41.64379 7.508484       1.118532  6.010237       1.423473  9.926666       1.808431  481.9170 59.61529 621.3831 58.16218 -139.4662      83.28758 
1 1 1 7   15 2  o 528.2136 56.16721 7.436829       1.243440  7.045195       2.483674  7.567823       1.436420  513.8508 99.06281 542.5763 52.96777 -28.72546      112.3344 
1 1 1 7   15 3  o 1628.437 46.37327 66.28356       3.583161  72.22230       6.398965  63.57086       4.324773  1677.701 75.33754 1579.172 54.09415 98.52966       92.74654 
1 1 1 7   15 4  o 1769.000 50.88417 81.11829       4.224518  78.17641       7.470942  82.50109       5.122020  1740.417 84.78881 1797.583 56.28189 -57.16626      101.7683 
1 1 1 7   15 5  o 899.3121 40.01506 20.64444       1.755610  20.31157       2.215226  21.20660       2.878772  891.0583 49.29692 907.5660 63.04469 -16.50769      80.03011 
1 1 1 7   15 6  o 1131.184 42.21001 33.38058       2.301805  34.76583       2.896419  31.00607       3.792146  1166.907 49.02769 1095.460 68.72428 71.44702       84.42003 
1 1 1 7   15 7  o 1513.096 45.03437 57.80532       3.325535  63.00066       5.590206  54.95971       4.137215  1561.897 70.69551 1464.295 55.80793 97.60193       90.06875 
1 1 1 7   15 8  o 1039.777 42.12001 27.53207       2.122718  29.21187       3.568521  26.61220       2.640722  1061.577 66.73740 1017.978 51.40526 43.59845       84.24002 
1 1 1 7   15 9  f 195.2823 49.14833 0.8567464      0.6160799 0.6693301      0.8917956 1.027848       0.8520967 185.3725 69.81668 205.1922 69.19439 -19.81972      98.29665 
1 1 1 7   15 10 o 158.5909 46.52758 0.1916908      0.6133692 0.2335088      0.8526883 0.1468495      0.8829743 159.4229 65.60360 157.7589 65.99567 1.664001       93.05515 
1 1 1 7   15 11 o 537.0962 39.71355 7.571103       1.063043  7.188908       1.484776  7.973059       1.522679  522.7640 57.02620 551.4283 55.28722 -28.66431      79.42709 
1 1 1 7   15 12 o 489.8343 66.53397 7.031576       1.313599  6.343078       2.820212  7.222331       1.484460  457.4518 120.2051 522.2168 57.07733 -64.76501      133.0679 
1 1 1 7   15 13 o 647.5807 57.64339 11.15223       1.870089  11.15223       1.870089  0.000000       0.000000  647.5807 57.64339 ?        ?        ?              ?        
1 1 1 7   15 14 o 436.4916 55.90851 5.128113       1.144592  6.467178       1.973491  4.449357       1.405048  474.3750 85.30962 398.6083 72.28632 75.76669       111.8170 
1 1 1 7   15 15 o 181.4944 55.19997 0.2633635      0.8600478 -0.6787612     1.743791  0.5662034      0.9886598 183.2584 83.82613 179.7304 71.84235 3.528015       110.3999 
1 1 1 7   15 16 o 275.3651 75.50850 0.7814246      1.246288  -0.1639475     1.369733  5.328388       3.003968  172.6086 77.03130 378.1216 129.8935 -205.5131      151.0170 
1 1 1 7   15 17 o 388.8666 92.23207 6.200735       2.130450  6.071751       2.797278  6.378897       3.287582  392.6857 124.9859 385.0475 135.6670 7.638184       184.4641 
1 1 1 7   15 18 o 454.2527 76.18636 8.663677       1.708900  9.622031       1.943395  5.395850       3.588623  571.5806 68.52436 336.9248 136.0950 234.6557       152.3727 
1 1 1 7   15 19 o 340.2753 61.53272 3.763453       1.184952  1.701056       1.571487  6.481369       1.804026  232.2593 91.29163 448.2913 82.52843 -216.0320      123.0654 
1 1 1 7   16 0  o 1297.307 43.72863 42.90096       2.355167  43.48450       5.070239  42.74041       2.659496  1298.060 77.50635 1296.553 40.51589 1.506592       87.45725 
1 1 1 7   16 1  o 726.0468 47.64923 13.53380       1.549536  13.82423       2.938406  13.42193       1.823723  728.1347 81.08799 723.9587 50.06532 4.175964       95.29847 
1 1 1 7   16 2  o 1024.330 46.11322 27.31038       2.146194  26.15435       3.963967  27.78980       2.552719  1004.473 78.57462 1044.188 48.28815 -39.71533      92.22644 
1 1 1 7   16 3  o 553.9263 51.85238 7.772503       1.242948  8.569698       2.475649  7.503824       1.437221  568.4052 88.94573 539.4473 53.32294 28.95795       103.7048 
1 1 1 7   16 4  o 1544.784 48.86776 60.82437       3.554495  63.40035       6.342314  59.64475       4.291862  1562.873 80.42952 1526.695 55.52771 36.17712       97.73553 
1 1 1 7   16 5  o 478.8789 36.76082 5.979702       0.8659977 6.874216       1.216905  5.061876       1.232659  516.8005 47.02485 440.9573 56.51632 75.84317       73.52164 
1 1 1 7   16 6  o 823.3718 40.36249 17.35440       1.636865  16.87450       2.097996  18.10098       2.616787  810.2836 51.40897 836.4600 62.23858 -26.17645      80.72498 
1 1 1 7   16 7  o 1326.507 70.27572 45.71508       4.702698  0.000000       0.000000  45.71508       4.702698  ?        ?        1326.507 70.27572 ?              ?        
1 1 1 7   16 8  o 1809.571 60.14038 84.55583       5.509668  84.55583       5.509668  0.000000       0.000000  1809.571 60.14038 ?        ?        ?              ?        
1 1 1 7   16 9  o 109.0438 35.46690 -0.5877368     0.4693747 -1.134982      0.7029309 -0.1473960     0.6305450 96.69952 46.79903 121.3881 53.30528 -24.68858      70.93379 
1 1 1 7   16 10 o 1088.718 43.03428 30.62321       2.287916  32.55673       3.788204  29.51294       2.870601  1110.563 67.69952 1066.874 53.14670 43.68896       86.06856 
1 1 1 7   16 11 f 682.4183 38.21684 12.21859       1.308934  11.72457       1.829035  12.73720       1.874011  667.9771 54.56143 696.8597 53.52717 -28.88263      76.43369 
1 1 1 7   16 12 o 522.2480 62.28496 7.231314       1.338523  8.710064       2.876143  6.822493       1.512273  540.1857 108.9280 504.3103 60.43471 35.87543       124.5699 
1 1 1 7   16 13 o 671.2620 100.7851 13.32296       3.319302  13.32296       3.319302  0.000000       0.000000  671.2620 100.7851 ?        ?        ?              ?        
1 1 1 7   16 14 o 430.9683 76.48507 5.835210       1.636010  5.756409       2.081828  5.962459       2.645493  435.6653 96.89108 426.2712 118.3722 9.394012       152.9701 
1 1 1 7   16 15 o 330.7257 59.04888 3.420331       1.005462  2.512064       1.580370  4.037985       1.303241  286.5292 94.17252 374.9222 71.26442 -88.39301      118.0978 
1 1 1 7   16 16 o 301.6376 58.91445 2.856504       0.9763950 1.840203       1.388574  3.850450       1.373217  247.1489 88.05251 356.1263 78.29690 -108.9774      117.8289 
1 1 1 7   16 17 o 321.0950 63.24818 3.883140       1.248164  1.217171       2.227951  5.102613       1.506830  233.5093 101.4104 408.6807 75.61260 -175.1714      126.4964 
1 1 1 7   16 18 o 245.8265 74.50244 1.586488       1.342511  1.343225       1.472702  2.782728       3.265774  218.6094 87.57661 273.0435 120.5520 -54.43408      149.0049 
1 1 1 7   16 19 o 347.3488 67.80579 4.497464       1.232492  4.614566       1.662967  4.354750       1.835840  359.4333 91.22994 335.2642 100.3374 24.16907       135.6116 
1 1 1 7   17 0  o 1219.620 44.46931 36.94846       2.528833  41.65835       4.671597  34.99628       3.007593  1268.817 73.03318 1170.423 50.75659 98.39380       88.93861 
1 1 1 7   17 1  o 1359.725 45.02355 48.42751       2.558804  46.02001       5.361311  49.13768       2.911849  1330.563 79.95992 1388.887 41.41126 -58.32336      90.04710 
1 1 1 7   17 2  o 1327.311 46.05097 43.71616       2.879203  50.05312       5.238885  40.97385       3.446335  1389.401 74.75286 1265.221 53.80312 124.1797       92.10194 
1 1 1 7   17 3  o 810.3041 48.30744 16.80184       1.743125  17.59897       3.369340  16.51052       2.036897  818.7021 82.40972 801.9059 50.42890 16.79620       96.61488 
1 1 1 7   17 4  o 1624.356 58.76782 68.97450       4.816233  67.54071       6.781025  70.43409       6.841745  1606.952 83.63958 1641.760 82.57751 -34.80811      117.5356 
1 1 1 7   17 5  o 1076.819 76.06528 30.29067       4.120123  30.29067       4.120123  0.000000       0.000000  1076.819 76.06528 ?        ?        ?              ?        
1 1 1 7   17 6  o 256.0202 46.24965 1.779223       0.6016969 1.551430       0.9145620 1.953069       0.7989612 241.9178 70.41280 270.1227 59.98466 -28.20488      92.49931 
1 1 1 7   17 7  o 161.2425 62.42376 0.4424111      0.7259995 0.000000       0.000000  0.4424111      0.7259995 ?        ?        161.2425 62.42376 ?              ?        
1 1 1 7   17 8  o 461.1153 65.39520 4.285319       1.136094  3.537607       1.225304  8.866503       3.032953  362.1620 69.35342 560.0685 110.8884 -197.9065      130.7904 
1 1 1 7   17 9  o 611.6594 63.00826 11.63782       1.563516  7.478377       2.880107  13.37583       1.861731  506.5219 114.9461 716.7969 51.64844 -210.2750      126.0165 
1 1 1 7   17 10 o 262.1002 63.73070 1.785115       0.9288701 1.456977       1.981305  1.877553       1.051597  263.2472 102.7864 260.9532 75.37486 2.294067       127.4614 
1 1 1 7   17 11 f 784.8748 52.87692 16.22637       2.088876  16.22637       2.088876  0.000000       0.000000  784.8748 52.87692 ?        ?        ?              ?        
1 1 1 7   17 12 x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7   17 13 o 421.1134 77.97451 5.523163       1.523480  5.427957       1.745609  5.827466       3.120809  432.4286 82.74961 409.7982 132.1840 22.63049       155.9490 
1 1 1 7   17 14 o 182.8061 58.12376 -0.1849345     0.7644837 0.9186051      2.096974  -0.3540849     0.8209857 236.9971 100.5594 128.6151 58.32057 108.3820       116.2475 
1 1 1 7   17 15 o 479.2883 52.24050 6.835490       1.196051  5.546585       1.751756  7.961073       1.637011  426.1416 84.18219 532.4350 61.88407 -106.2934      104.4810 
1 1 1 7   17 16 o 599.4968 46.40410 10.42103       1.382262  9.625799       1.921551  11.27382       1.989867  573.5577 67.46394 625.4360 63.73367 -51.87836      92.80820 
1 1 1 7   17 17 o 278.2741 75.06421 2.359380       1.356483  4.683497       2.565824  1.457817       1.598071  331.5314 119.5233 225.0169 90.84446 106.5145       150.1284 
1 1 1 7   17 18 o 251.7470 95.70341 2.279842       1.685487  2.279842       1.685487  0.000000       0.000000  251.7470 95.70341 ?        ?        ?              ?        
1 1 1 7   18 0  o 661.1578 49.80474 10.03522       1.389995  14.21291       3.078079  8.965057       1.557887  733.1860 84.46889 589.1296 52.79255 144.0564       99.60947 
1 1 1 7   18 1  o 300.1947 76.27612 1.945818       1.610894  3.287295       2.052130  -0.2079874     2.600259  349.3431 106.4305 251.0462 109.2920 98.29694       152.5522 
1 1 1 7   18 2  o 256.6387 59.65004 1.594211       0.5827495 0.7519535      2.339890  1.649907       0.6017089 263.6665 108.6083 249.6110 49.36335 14.05557       119.3001 
1 1 1 7   18 3  o 767.1572 62.21071 15.65281       2.371368  16.09777       3.351458  15.20670       3.355788  778.8184 86.45810 755.4959 89.47451 23.32251       124.4214 
1 1 1 7   18 4  o 464.6842 80.99228 6.063593       1.900515  5.306190       2.678142  6.831947       2.697430  434.3767 118.4959 494.9916 110.4433 -60.61493      161.9846 
1 1 1 7   18 5  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7   18 6  o 780.0820 40.19881 15.36832       1.550679  18.34332       2.483651  13.46773       1.985145  839.8297 58.78451 720.3344 54.84667 119.4953       80.39761 
1 1 1 7   18 7  o 872.3887 44.14529 19.19840       1.792984  21.93075       3.300391  18.05433       2.135619  910.0172 72.22994 834.7602 50.77462 75.25696       88.29058 
1 1 1 7   18 8  o 563.4720 74.13464 10.37636       1.518306  11.14368       1.678990  6.933319       3.556559  653.6410 51.14482 473.3031 139.1689 180.3379       148.2693 
1 1 1 7   18 9  o 333.2910 68.13231 3.380400       1.061476  3.623816       1.151075  1.996914       2.744202  365.0937 64.64101 301.4884 119.9566 63.60522       136.2646 
1 1 1 7   18 10 o 396.1817 43.37358 4.248875       0.8363101 3.630298       1.156451  4.927036       1.210867  363.7968 65.18328 428.5665 57.23819 -64.76965      86.74716 
1 1 1 7   18 11 o 448.2753 44.40870 5.531569       0.9653333 6.403896       1.352351  4.625317       1.378397  488.5607 55.66881 407.9900 69.20631 80.57077       88.81740 
1 1 1 7   18 12 o 189.9693 50.92229 0.7602741      0.6962725 0.2921126      1.027876  1.157246       0.9465051 169.8980 71.15083 210.0407 72.86892 -40.14272      101.8446 
1 1 1 7   18 13 o 770.1896 50.69617 16.76351       1.942909  15.18957       2.766481  18.29540       2.729273  729.4090 76.03330 810.9703 67.07714 -81.56128      101.3923 
1 1 1 7   18 14 o 648.4193 49.01573 12.05981       1.552291  12.34481       2.035516  11.66371       2.399708  665.7433 61.07351 631.0953 76.68243 34.64807       98.03146 
1 1 1 7   18 15 o 338.5973 85.86989 4.017658       1.709307  3.031928       2.003537  6.654015       3.276577  291.8401 105.5558 385.3544 135.4715 -93.51428      171.7398 
1 1 1 7   18 16 o 183.3912 56.24651 0.4026234      0.9812664 -0.7364512E-01 1.405001  0.8561600      1.371062  169.4953 76.62656 197.2871 82.35928 -27.79184      112.4930 
1 1 1 7   18 17 o 550.1366 54.04282 9.647852       1.419500  11.06447       1.936759  8.003632       2.086554  610.9196 63.54933 489.3537 87.42989 121.5659       108.0856 
1 1 1 7   18 18 o 208.9641 60.20663 1.038043       1.089412  -0.2811566     1.491516  2.546664       1.595008  162.1172 75.34637 255.8111 93.92698 -93.69389      120.4133 
1 1 1 7   19 0  o 774.1564 48.61267 15.26370       1.396360  16.30728       3.452378  15.05959       1.526820  781.3032 88.86087 767.0095 39.45269 14.29370       97.22535 
1 1 1 7   19 1  o 1460.779 57.77916 56.20229       4.255166  55.40736       5.949306  57.03485       6.088537  1450.433 81.34694 1471.125 82.07557 -20.69287      115.5583 
1 1 1 7   19 2  o 919.5472 47.51316 21.64130       1.953465  23.06001       3.782900  21.12542       2.281149  933.5220 80.83976 905.5725 49.94931 27.94946       95.02631 
1 1 1 7   19 3  o 401.0927 84.14460 4.534475       1.832413  4.379052       2.571706  4.694758       2.611602  394.7519 118.8955 407.4336 119.1013 -12.68170      168.2892 
1 1 1 7   19 4  o 722.2040 91.63009 14.13645       3.274909  14.13645       3.274909  0.000000       0.000000  722.2040 91.63009 ?        ?        ?              ?        
1 1 1 7   19 5  o 593.3923 57.40805 10.07887       1.419056  8.281822       2.720020  10.75090       1.663364  543.4939 102.6154 643.2907 51.50554 -99.79681      114.8161 
1 1 1 7   19 6  o 586.2140 100.1353 9.661728       2.865132  0.000000       0.000000  9.661728       2.865132  ?        ?        586.2140 100.1353 ?              ?        
1 1 1 7   19 7  o 434.2828 39.29444 5.031184       0.8248439 6.225354       1.183205  3.902132       1.150493  487.7289 48.56370 380.8367 61.78819 106.8922       78.58888 
1 1 1 7   19 8  f 724.4224 52.68026 14.83108       1.667676  12.98632       3.079143  15.59683       1.983832  677.6636 92.13840 771.1811 51.10140 -93.51752      105.3605 
1 1 1 7   19 9  f 387.2837 70.50577 3.410823       1.002606  3.018356       1.067827  6.332403       2.913453  330.1196 66.19592 444.4478 124.5085 -114.3282      141.0115 
1 1 1 7   19 10 o 579.5568 39.34062 9.024771       1.136171  9.455325       1.575076  8.557708       1.640497  595.7021 52.77246 563.4114 58.35928 32.29077       78.68124 
1 1 1 7   19 11 o 324.8438 53.09805 3.018337       0.8661202 2.216109       1.178000  3.962313       1.277840  275.5221 79.83241 374.1655 70.03141 -98.64340      106.1961 
1 1 1 7   19 12 o 187.2999 51.97187 0.6418920      0.7517890 1.166217       1.031134  0.4689007E-01  1.098434  211.0376 75.80424 163.5623 71.11977 47.47537       103.9437 
1 1 1 7   19 13 o 395.3040 74.36712 4.597702       1.433694  0.000000       0.000000  4.597702       1.433694  ?        ?        395.3040 74.36712 ?              ?        
1 1 1 7   19 14 o 576.1749 73.96320 10.94465       1.690781  10.70797       1.907661  11.81164       3.651081  612.0334 62.44075 540.3165 134.1021 71.71686       147.9264 
1 1 1 7   19 15 f 599.8359 47.82458 10.73978       1.426441  10.76999       1.994960  10.70819       2.040390  602.0938 66.55959 597.5781 68.69196 4.515747       95.64917 
1 1 1 7   19 16 o 451.8854 63.37109 6.941831       1.380077  6.879442       1.805458  7.029521       2.140476  461.3106 80.21794 442.4603 98.12576 18.85025       126.7422 
1 1 1 7   19 17 o 205.8371 58.99463 1.110661       1.105115  -0.9885786     1.908049  2.170339       1.355643  166.4136 79.65607 245.2607 87.04238 -78.84703      117.9893 
1 1 1 7   20 0  o 685.7434 55.00687 12.98618       1.323392  11.87243       3.284513  13.20203       1.445958  654.5040 102.4865 716.9828 39.99418 -62.47882      110.0137 
1 1 1 7   20 1  o 1347.560 47.96152 48.85207       2.667188  45.32220       5.617496  49.87942       3.030573  1300.841 85.77870 1394.279 42.93302 -93.43835      95.92304 
1 1 1 7   20 2  o 753.0458 48.36595 14.07493       1.587233  16.89196       3.259169  13.19907       1.817306  792.7326 82.41219 713.3590 50.64870 79.37360       96.73190 
1 1 1 7   20 3  o 471.9004 116.3348 6.489660       2.761678  6.489660       2.761678  0.000000       0.000000  471.9004 116.3348 ?        ?        ?              ?        
1 1 1 7   20 4  o 687.5737 98.70361 13.22917       3.337332  0.000000       0.000000  13.22917       3.337332  ?        ?        687.5737 98.70361 ?              ?        
1 1 1 7   20 5  o 353.9082 57.85297 3.356379       1.000750  0.000000       0.000000  3.356379       1.000750  ?        ?        353.9082 57.85297 ?              ?        
1 1 1 7   20 6  o 335.6120 66.39018 2.688836       0.8441628 4.049789       2.497574  2.513309       0.8969496 367.4576 118.2220 303.7664 60.44982 63.69128       132.7804 
1 1 1 7   20 7  o 634.8002 38.08430 10.66508       1.211402  10.77712       1.751985  10.56245       1.676846  637.5200 54.81469 632.0803 52.88672 5.439697       76.16859 
1 1 1 7   20 8  o 606.1354 56.94396 10.32620       1.518036  10.33443       2.835931  10.32290       1.797193  591.8483 98.08032 620.4225 57.88530 -28.57428      113.8879 
1 1 1 7   20 9  o 251.3426 67.87031 1.549707       0.8687937 1.647137       0.9049187 0.4019965      3.105849  241.5036 69.96829 261.1815 116.3183 -19.67792      135.7406 
1 1 1 7   20 10 o 224.8847 48.05359 1.266593       0.6748871 0.2633042      0.9320467 2.372420       0.9785172 161.7565 67.74807 288.0128 68.16736 -126.2564      96.10718 
1 1 1 7   20 11 o 223.6160 54.65734 1.379092       0.7499028 1.288950       1.011237  1.489232       1.117797  216.9846 75.31712 230.2473 79.22770 -13.26279      109.3147 
1 1 1 7   20 12 o 627.8001 60.54401 10.99394       1.900458  0.000000       0.000000  10.99394       1.900458  ?        ?        627.8001 60.54401 ?              ?        
1 1 1 7   20 13 o 266.4304 70.22742 2.098328       1.124420  3.114456       2.315722  1.784849       1.286222  292.4036 111.9336 240.4572 84.84357 51.94638       140.4548 
1 1 1 7   20 14 o 357.2424 71.01663 5.407595       1.411301  5.902507       1.559997  3.176478       3.312234  437.6591 72.97475 276.8257 121.8529 160.8333       142.0333 
1 1 1 7   20 15 o 504.3208 53.18244 8.076251       1.304560  8.903552       1.825349  7.212482       1.865147  539.5145 68.36163 469.1271 81.48726 70.38733       106.3649 
1 1 1 7   20 16 o 333.2018 65.33505 4.115797       1.143124  4.398470       1.626689  3.840014       1.606740  346.8916 91.35931 319.5120 93.42458 27.37961       130.6701 
1 1 1 7   20 17 o 218.3814 62.30886 1.709709       1.157661  2.690006       1.538609  0.4306487      1.757499  254.8354 92.45062 181.9273 83.56111 72.90808       124.6177 
1 1 1 7   21 0  o 384.0441 93.24527 4.180532       2.205811  3.093888       2.953482  5.551172       3.317053  342.3724 127.4248 425.7157 136.1677 -83.34323      186.4905 
1 1 1 7   21 1  o 290.9799 84.23076 0.8529004      1.949763  -0.4669118     2.419909  3.295176       3.291852  229.0786 102.2989 352.8811 133.8440 -123.8025      168.4615 
1 1 1 7   21 2  o 502.1676 116.1740 7.530887       2.894846  7.530887       2.894846  0.000000       0.000000  502.1676 116.1740 ?        ?        ?              ?        
1 1 1 7   21 3  o 241.3565 107.8194 -0.3587758     2.690646  -0.3587758     2.690646  0.000000       0.000000  241.3565 107.8194 ?        ?        ?              ?        
1 1 1 7   21 4  o 417.9591 127.7940 5.512078       2.955002  0.000000       0.000000  5.512078       2.955002  ?        ?        417.9591 127.7940 ?              ?        
1 1 1 7   21 5  o 591.6802 72.52295 10.09698       2.073018  8.533272       2.712684  12.29214       3.214052  535.8884 103.7356 647.4720 101.3767 -111.5837      145.0459 
1 1 1 7   21 6  o 282.7399 81.98931 1.709857       1.878506  2.022383       2.518445  1.317914       2.820331  288.6054 114.8895 276.8743 117.0017 11.73111       163.9786 
1 1 1 7   21 7  o 419.4496 73.02758 5.430494       1.262284  5.461475       1.382936  5.275822       3.090018  446.0245 62.99697 392.8746 131.7706 53.14990       146.0552 
1 1 1 7   21 8  o 650.4541 38.47159 11.38130       1.252554  11.35942       1.717257  11.40619       1.830963  651.0598 52.54683 649.8483 56.20573 1.211487       76.94318 
1 1 1 7   21 9  o 454.8606 67.99240 5.937811       1.194137  5.680948       1.310683  7.192506       2.896780  454.6098 58.29014 455.1114 122.8582 -0.5015259     135.9848 
1 1 1 7   21 10 o 299.7565 53.31912 2.666406       0.8089370 2.468398       1.123262  2.879751       1.165952  287.7614 75.98019 311.7516 74.82464 -23.99017      106.6382 
1 1 1 7   21 11 o 310.9962 54.91877 2.883910       0.8528674 2.536539       1.108951  3.386850       1.334361  289.7557 75.00998 332.2367 80.23582 -42.48096      109.8375 
1 1 1 7   21 12 o 293.6035 59.44932 2.783066       0.9275811 2.865070       1.355133  2.710773       1.272371  296.6282 85.53104 290.5787 82.59132 6.049500       118.8986 
1 1 1 7   21 13 o 237.1999 67.01384 1.781214       1.070676  1.251298       2.800213  1.871950       1.158721  235.0547 107.0170 239.3451 80.68938 -4.290405      134.0277 
1 1 1 7   21 14 o 429.5795 80.76380 5.927375       1.449464  4.739950       1.591983  11.68268       3.504848  370.3524 86.47543 488.8065 136.4301 -118.4542      161.5276 
1 1 1 7   21 15 o 172.6996 53.37860 0.3743919      0.8992860 0.9525784      1.300652  -0.1551651     1.244754  191.2836 80.06580 154.1156 70.61564 37.16795       106.7572 
1 1 1 7   21 16 o 184.8074 55.46014 0.8719075      0.9095214 1.344789       1.330371  0.4569313      1.246260  201.3589 82.29507 168.2558 74.36955 33.10304       110.9203 
1 1 1 7   22 0  o 488.0721 41.99594 6.448886       0.9993085 5.312726       1.415847  7.576702       1.410639  441.4805 65.31789 534.6638 52.80351 -93.18332      83.99189 
1 1 1 7   22 1  o 304.8736 117.9446 2.409430       2.590310  2.409430       2.590310  0.000000       0.000000  304.8736 117.9446 ?        ?        ?              ?        
1 1 1 7   22 2  o 394.5533 122.9612 4.976709       2.720951  4.976709       2.720951  0.000000       0.000000  394.5533 122.9612 ?        ?        ?              ?        
1 1 1 7   22 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 7   22 4  o 325.0442 114.3404 3.231452       2.334304  0.000000       0.000000  3.231452       2.334304  ?        ?        325.0442 114.3404 ?              ?        
1 1 1 7   22 5  o 303.9138 80.30138 2.706611       1.734288  3.585899       2.217219  1.320732       2.783593  336.5570 111.5897 271.2706 115.5032 65.28641       160.6028 
1 1 1 7   22 6  o 231.6423 60.40549 1.425865       0.7480226 -0.2444388     2.529326  1.585955       0.7830495 226.4633 102.5572 236.8213 63.85385 -10.35797      120.8110 
1 1 1 7   22 7  f 136.5615 47.80215 -0.1886141     0.4270850 -3.903872      2.560977  -0.8233307E-01 0.4331506 172.6557 84.80059 100.4672 44.14795 72.18847       95.60429 
1 1 1 7   22 8  o 324.8543 48.19346 3.049963       0.7670934 3.172048       1.071868  2.921787       1.098282  332.9131 65.92776 316.7956 70.31335 16.11752       96.38692 
1 1 1 7   22 9  o 301.8433 51.10879 2.703488       0.7701014 2.689696       1.062851  2.718730       1.117368  301.8635 70.77579 301.8231 73.75107 0.4037476E-01  102.2176 
1 1 1 7   22 10 o 379.2382 69.78533 5.008289       1.293550  4.416537       2.491276  5.226715       1.513574  340.2661 118.2104 418.2102 74.20420 -77.94406      139.5707 
1 1 1 7   22 11 o 179.5312 50.57331 0.7240402      0.6960904 0.4968016      1.040540  0.9081094      0.9365007 171.8454 71.74435 187.2170 71.29787 -15.37155      101.1466 
1 1 1 7   22 12 o 404.5044 52.62038 5.172643       1.034979  5.379308       1.426405  4.942869       1.504042  417.9256 69.88313 391.0832 78.68906 26.84241       105.2408 
1 1 1 7   22 13 o 334.6089 76.67641 4.509626       1.307203  4.253872       1.415130  5.997052       3.412734  354.9101 80.59636 314.3076 130.4658 40.60242       153.3528 
1 1 1 7   22 14 o 351.7179 77.47496 5.377285       1.415775  5.119927       1.554562  6.628614       3.427875  385.1115 82.23389 318.3243 131.3281 66.78723       154.9499 
1 1 1 7   22 15 o 148.5470 48.97673 -0.2990162     0.9041370 -0.1352198     1.269503  -0.4676159     1.287982  152.0404 70.25967 145.0537 68.25289 6.986710       97.95345 
1 1 1 7   23 0  o 446.8385 70.66622 6.097166       1.330302  6.110142       2.888672  6.093673       1.498683  424.0092 125.6277 469.6678 64.74979 -45.65866      141.3324 
1 1 1 7   23 1  o 184.8778 44.17768 0.9099126      0.4712825 0.5549458      0.9384050 1.029641       0.5449979 176.2723 70.14360 193.4833 53.72658 -17.21098      88.35536 
1 1 1 7   23 2  o 632.3647 81.92793 12.62103       2.503827  11.01867       3.278642  14.86313       3.878309  585.5133 114.7077 679.2161 117.0081 -93.70276      163.8559 
1 1 1 7   23 3  o 638.2996 97.99458 12.41849       3.065524  0.000000       0.000000  12.41849       3.065524  ?        ?        638.2996 97.99458 ?              ?        
1 1 1 7   23 4  o 313.4448 78.19866 3.014956       1.636619  1.539575       2.298034  4.533471       2.331384  259.7090 107.3693 367.1805 113.7188 -107.4714      156.3973 
1 1 1 7   23 5  o 243.1005 65.19469 0.6609000E-01  1.483310  3.688850       2.029617  -4.087257      2.173168  334.2686 106.4709 151.9323 75.26844 182.3363       130.3894 
1 1 1 7   23 6  o 341.6573 84.01590 4.184775       1.868574  2.763763       2.795396  5.332576       2.512336  295.9610 119.9167 387.3535 117.7058 -91.39258      168.0318 
1 1 1 7   23 7  o 169.7433 52.48944 0.3828653      0.6571054 -3.261317      2.515368  0.6497754      0.6807443 174.2584 85.26653 165.2283 61.23877 9.030029       104.9789 
1 1 1 7   23 8  o 325.6537 71.76932 3.546524       1.057153  3.580304       1.110762  3.221693       3.444444  351.5433 64.79807 299.7642 128.0802 51.77914       143.5386 
1 1 1 7   23 9  o 316.5162 59.24867 3.749817       1.090910  1.227825       2.058338  4.734952       1.286450  230.7335 98.80884 402.2990 65.40974 -171.5656      118.4973 
1 1 1 7   23 10 o 398.1613 50.42861 4.830135       0.9634683 4.727466       1.251610  4.979455       1.509415  399.4549 64.05416 396.8678 77.90535 2.587097       100.8572 
1 1 1 7   23 11 o 340.0330 57.15163 3.876416       0.9683966 3.908963       1.408568  3.847244       1.333549  339.2275 82.75330 340.8384 78.84876 -1.610962      114.3033 
1 1 1 7   23 12 o 308.6354 64.66537 4.188229       1.186525  4.598912       1.310070  2.313715       2.798886  378.2768 71.01516 238.9940 108.0892 139.2827       129.3307 
1 1 1 7   23 13 o 160.7474 49.76461 0.3560388      0.7768508 0.5716150      1.076321  0.1216125      1.122392  167.5542 71.59399 153.9405 69.14019 13.61371       99.52922 
1 1 1 7   23 14 o 180.9067 53.99636 0.9129151      0.8508620 1.058075       1.141778  0.7316275      1.275976  185.6596 76.10027 176.1538 76.62359 9.505737       107.9927 
1 1 1 7   24 0  o 167.1850 45.33435 0.5927728      0.5423661 0.4199080      0.7832799 0.7519946      0.7517353 158.3727 63.71905 175.9972 64.50346 -17.62444      90.66871 
1 1 1 7   24 1  o 215.9446 47.34267 1.279326       0.6067427 1.895106       0.8619444 0.6745113      0.8542352 255.9448 66.06875 175.9445 67.82503 80.00023       94.68534 
1 1 1 7   24 2  o 244.3334 112.8362 -0.1285347     3.266467  0.000000       0.000000  -0.1285347     3.266467  ?        ?        244.3334 112.8362 ?              ?        
1 1 1 7   24 3  o 254.4006 76.67749 1.371265       1.796571  -0.1310768     2.941102  2.265527       2.269123  234.0222 107.7132 274.7790 109.1586 -40.75679      153.3550 
1 1 1 7   24 4  o 219.4407 68.37041 0.3884570      1.496622  -0.3961293     2.075971  1.237523       2.159591  198.5167 91.04646 240.3647 102.0225 -41.84804      136.7408 
1 1 1 7   24 5  o 238.4534 70.54510 1.345214       1.398868  1.308386       1.775569  1.405480       2.271341  231.5085 94.89716 245.3983 104.4077 -13.88986      141.0902 
1 1 1 7   24 6  o 208.5611 67.91003 -0.3200856     1.689184  -1.548447      2.598536  0.5788350      2.222933  195.8330 93.52459 221.2891 98.48981 -25.45616      135.8201 
1 1 1 7   24 7  o 370.7885 89.72379 5.799222       2.037202  6.835013       2.993896  4.906113       2.780052  400.1202 129.5108 341.4568 124.2111 58.66348       179.4476 
1 1 1 7   24 8  o 506.3532 66.57711 9.095015       1.427872  7.494869       2.711983  9.708706       1.679509  429.9949 120.0087 582.7115 57.68839 -152.7166      133.1542 
1 1 1 7   24 9  o 184.5732 56.41542 0.5808746E-01  0.7891801 2.100117       1.777324  -0.4433904     0.8807682 243.4947 96.64661 125.6518 58.22569 117.8429       112.8308 
1 1 1 7   24 10 o 165.6876 55.37370 0.6991706E-01  0.7702435 0.1325711      0.8046089 -0.6169046     2.663988  138.7160 60.58153 192.6591 92.70849 -53.94310      110.7474 
1 1 1 7   24 11 o 207.4907 51.26481 1.394872       0.7349716 2.134713       0.9931594 0.4991615      1.092782  249.6819 73.57816 165.2994 71.40432 84.38248       102.5296 
1 1 1 7   24 12 o 317.7340 57.86578 3.689170       0.9399456 3.931408       1.291459  3.416316       1.370640  335.5639 77.57113 299.9040 85.88663 35.65991       115.7316 
1 1 1 7   24 13 o 288.1998 61.22521 3.275829       0.9642884 2.878121       1.298412  3.764981       1.439967  269.2161 85.09627 307.1834 88.04959 -37.96732      122.4504 
1 1 1 7   24 14 o 218.4963 67.48885 2.379250       1.303481  3.216039       3.050478  2.192333       1.441732  217.4856 103.1391 219.5070 87.07068 -2.021408      134.9777 
1 1 1 7   25 0  o 431.2177 73.72241 3.428720       1.021829  2.663936       1.065544  12.17983       3.604406  297.6689 71.58357 564.7666 128.9022 -267.0977      147.4448 
1 1 1 7   25 1  o 582.9548 47.18814 9.818488       1.367355  9.619968       1.925042  10.02063       1.942541  576.4483 67.22506 589.4614 66.23952 -13.01312      94.37629 
1 1 1 7   25 2  o 470.6014 42.33034 5.952815       0.9977385 0.000000       0.000000  5.952815       0.9977385 ?        ?        470.6014 42.33034 ?              ?        
1 1 1 7   25 3  o 299.6430 124.7957 3.516378       3.137501  3.516378       3.137501  0.000000       0.000000  299.6430 124.7957 ?        ?        ?              ?        
1 1 1 7   25 4  o 301.5619 71.35146 2.610056       1.667160  6.248141       2.340968  -1.134061      2.374837  411.9599 110.1235 191.1640 90.75764 220.7959       142.7029 
1 1 1 7   25 5  f 236.5275 70.29533 1.101255       1.601892  3.094614       2.166066  -1.304955      2.379828  286.1371 108.5609 186.9179 89.33228 99.21922       140.5907 
1 1 1 7   25 6  o 274.8720 76.91132 2.965256       1.669479  1.721264       2.705201  3.730483       2.121710  244.3074 108.6976 305.4366 108.8404 -61.12926      153.8226 
1 1 1 7   25 7  o 199.4289 65.81213 -0.5160071     1.743911  -3.049375      2.607765  1.533501       2.345548  168.5801 83.32355 230.2777 101.8928 -61.69760      131.6243 
1 1 1 7   25 8  o 194.6819 61.34709 0.6238654      0.7639057 0.4846104      0.8007105 2.035032       2.548938  154.4378 63.56483 234.9259 104.9446 -80.48816      122.6942 
1 1 1 7   25 9  o 250.5241 66.09782 2.710920       1.219071  1.436929       2.365540  3.171622       1.422516  214.3803 97.89687 286.6678 88.83629 -72.28751      132.1956 
1 1 1 7   25 10 o 152.8898 54.60967 -0.3261749     0.6158897 -0.3516579     0.6279306 0.3192435      3.160142  104.8082 48.77007 200.9715 97.72586 -96.16325      109.2193 
1 1 1 7   25 11 o 234.8884 55.17573 2.088598       0.8066564 2.622632       1.092523  1.448545       1.196064  268.7123 76.58616 201.0646 79.44813 67.64769       110.3515 
1 1 1 7   25 12 o 240.2235 58.15891 2.328912       0.8489168 2.291509       1.129174  2.377534       1.287432  241.8566 79.60764 238.5905 84.80835 3.266052       116.3178 
1 1 1 7   25 13 f 112.2008 38.59942 -0.8527302     0.6442086 -0.9020125     0.7860566 -0.7519199     1.124244  100.2153 48.73335 124.1863 59.87254 -23.97106      77.19884 
1 1 1 7   26 0  o 266.0824 77.01632 1.202550       0.8576046 0.8852729      0.8833981 6.398967       3.575106  183.1890 69.37079 348.9758 137.5273 -165.7868      154.0326 
1 1 1 7   26 1  o 228.6492 50.20191 1.634643       0.6910551 2.241736       0.9279509 0.8787253      1.035463  270.0952 67.92762 187.2033 73.93757 82.89185       100.4038 
1 1 1 7   26 2  o 172.4109 56.58828 0.2238450      0.6500059 -0.2751280     2.637661  0.2561064      0.6706900 206.7988 97.41697 138.0230 57.60960 68.77582       113.1766 
1 1 1 7   26 3  o 135.0506 67.66151 -4.101077      1.976145  0.000000       0.000000  -4.101077      1.976145  ?        ?        135.0506 67.66151 ?              ?        
1 1 1 7   26 4  o 226.0045 70.00063 1.062323       1.636921  2.933424       2.294617  -0.8766219     2.335846  266.6294 108.4230 185.3796 88.57092 81.24979       140.0013 
1 1 1 7   26 5  f 268.7319 74.80834 2.580478       1.695678  -0.1238347E-04 2.320908  5.535034       2.483435  195.5835 91.89909 341.8803 118.0666 -146.2968      149.6167 
1 1 1 7   26 6  o 276.0726 79.20108 3.739097       1.933812  1.223880       2.864023  5.846643       2.621666  218.7295 102.5541 333.4157 120.7224 -114.6862      158.4022 
1 1 1 7   26 7  o 222.6263 72.36292 1.791958       1.876734  3.135401       2.757494  0.6326741      2.561532  244.8560 109.2834 200.3966 94.88252 44.45935       144.7258 
1 1 1 7   26 8  o 189.5450 53.47841 1.110595       0.5355012 1.110595       0.5355012 0.000000       0.000000  189.5450 53.47841 ?        ?        ?              ?        
1 1 1 7   26 9  o 162.0337 57.04365 0.5135730      0.5724880 0.8016212      0.5811071 -8.981072      3.336284  162.0337 57.04365 ?        ?        ?              ?        
1 1 1 7   26 10 o 171.4854 57.22443 0.4906124      0.7487851 0.4725135      0.7687528 0.8255005      3.306816  146.1987 61.39492 196.7722 96.58782 -50.57344      114.4489 
1 1 1 7   26 11 o 132.9248 43.56962 -0.1383738     0.6236658 -0.3479409     0.7388034 0.3812427      1.163346  111.3760 52.17760 154.4735 69.79072 -43.09750      87.13924 
1 1 1 7   26 12 o 250.2279 58.71109 2.974560       0.9336629 3.536709       1.224287  2.193186       1.443401  291.4439 80.37228 209.0118 85.60530 82.43204       117.4222 
1 1 1 7   27 0  o 234.8984 112.2413 1.744285       3.753132  0.000000       0.000000  1.744285       3.753132  ?        ?        234.8984 112.2413 ?              ?        
1 1 1 7   27 1  o 168.5165 45.32887 0.7272244      0.5374875 0.4466484      0.7084064 1.107866       0.8251165 147.4862 60.13897 189.5468 67.83900 -42.06062      90.65774 
1 1 1 7   27 2  o 227.1918 66.80518 1.621063       0.9197299 2.555228       3.307920  1.542797       0.9574836 239.7262 111.6799 214.6574 73.34393 25.06880       133.6104 
1 1 1 7   27 3  o 246.8567 77.51627 2.135967       1.913663  6.178657       3.186078  -0.1455557     2.393501  305.9386 126.4482 187.7747 89.69917 118.1639       155.0325 
1 1 1 7   27 4  o 137.5266 48.84132 -3.660169      1.462747  -4.453348      1.981262  -2.709818      2.168693  126.5347 63.93716 148.5185 73.85078 -21.98379      97.68264 
1 1 1 7   27 5  o 288.2932 78.58818 4.788446       1.843096  6.965672       2.527300  2.315056       2.693713  354.6460 119.1688 221.9404 102.4852 132.7056       157.1764 
1 1 1 7   27 6  o 209.6969 70.71840 1.706892       2.031305  3.070666       3.206969  0.7931554      2.625029  225.3973 106.5531 193.9966 93.00971 31.40070       141.4368 
1 1 1 7   27 7  o ?        ?        -6.446938      2.449224  -6.446938      2.449224  0.000000       0.000000  ?        ?        ?        ?        ?              ?        
1 1 1 7   27 8  o 193.2534 91.24437 1.306851       2.338390  1.306851       2.338390  0.000000       0.000000  193.2534 91.24437 ?        ?        ?              ?        
1 1 1 7   27 9  o 178.2208 59.68000 0.4983739      0.5253534 0.3935942      0.5323771 4.391031       3.244918  129.4988 52.38029 226.9427 107.2526 -97.44392      119.3600 
1 1 1 7   27 10 o 212.5365 57.72083 2.030452       0.8486444 1.977290       0.9884387 2.179539       1.655260  220.3201 74.52376 204.7529 88.16454 15.56729       115.4417 
1 1 1 7   28 0  o 235.3200 58.90814 2.473893       0.9351068 2.672123       0.9652533 -0.5517559     3.771083  278.9391 68.78429 191.7009 95.65249 87.23820       117.8163 
1 1 1 7   28 1  o 156.6589 42.29318 0.6639676      0.5300346 1.131233       0.6542841 -0.2281235     0.9040427 185.8394 60.57030 127.4784 59.04313 58.36099       84.58636 
1 1 1 7   28 2  o 242.8006 65.87736 2.742822       1.079687  3.076216       3.217157  2.700506       1.146160  221.2224 105.2054 264.3787 79.31657 -43.15628      131.7547 
1 1 1 7   28 3  o 187.6924 63.81933 0.4800211      1.898602  -2.517693      3.206696  2.098095       2.355927  167.1110 84.04984 208.2738 96.05859 -41.16273      127.6387 
1 1 1 7   28 4  o 150.0446 52.85372 -2.195687      1.582471  -3.687292      2.208021  -0.6203718     2.269133  134.9906 68.12514 165.0986 80.82715 -30.10796      105.7074 
1 1 1 7   28 5  o 174.2287 59.93930 0.3354669E-01  1.670807  -0.8764017     2.267537  1.114428       2.471355  160.6063 79.06178 187.8510 90.11169 -27.24475      119.8786 
1 1 1 7   28 6  o 160.3699 56.57815 -1.469472      1.864688  -1.862902      2.773361  -1.144880      2.519076  159.5955 79.98793 161.1444 80.03925 -1.548904      113.1563 
1 1 1 7   28 7  o 184.3763 90.01679 1.152471       2.757726  1.152471       2.757726  0.000000       0.000000  184.3763 90.01679 ?        ?        ?              ?        
1 1 1 7   28 8  o 183.7663 89.80150 1.553015       2.762983  0.000000       0.000000  1.553015       2.762983  ?        ?        183.7663 89.80150 ?              ?        
1 1 1 7   28 9  o 181.9790 91.03446 2.446307       3.514949  0.000000       0.000000  2.446307       3.514949  ?        ?        181.9790 91.03446 ?              ?        
1 1 1 7   29 0  o 192.8417 96.50803 1.985717       3.969062  0.000000       0.000000  1.985717       3.969062  ?        ?        192.8417 96.50803 ?              ?        
1 1 1 7   29 1  o 114.0172 37.18099 -0.1359208     0.4134084 -0.2573280     0.4711374 0.2704188      0.8619258 90.59512 42.18578 137.4392 61.23776 -46.84406      74.36198 
1 1 1 7   29 2  o 151.5735 52.16069 0.3061766      0.5089283 0.3007228      0.5137526 0.5924885      3.722420  121.4954 50.54134 181.6517 91.26073 -60.15632      104.3214 
1 1 1 7   29 3  f 190.4742 95.02751 2.136689       3.716702  2.136689       3.716702  0.000000       0.000000  190.4742 95.02751 ?        ?        ?              ?        
1 1 1 7   29 4  o 178.2557 61.21563 0.9652321      1.749109  -0.3030772     2.472383  2.236071       2.474847  163.0231 80.67705 193.4883 92.09033 -30.46519      122.4313 
1 1 1 7   29 5  o 174.5218 60.08364 1.017765       1.701201  0.9003632      2.335925  1.150361       2.482480  172.7080 83.99111 176.3356 85.93990 -3.627625      120.1673 
1 1 1 7   29 6  o 185.4989 64.10808 2.258150       2.010314  0.7364465      2.877294  3.709435       2.809931  169.8658 84.56216 201.1320 96.37752 -31.26627      128.2162 
1 1 1 7   29 7  o 152.2722 76.79755 -0.8886520     2.780381  -0.8886520     2.780381  0.000000       0.000000  152.2722 76.79755 ?        ?        ?              ?        
1 1 1 7   30 0  o 188.0528 59.50619 2.047186       1.224513  0.7631510      3.462078  2.230786       1.309134  169.9253 85.70026 206.1802 82.57973 -36.25491      119.0124 
1 1 1 7   30 1  o 167.4900 64.82029 1.070864       0.7826071 1.070864       0.7826071 0.000000       0.000000  167.4900 64.82029 ?        ?        ?              ?        
1 1 1 7   30 2  f 114.3593 36.14420 0.1087839      0.4308871 0.3698587      0.4804444 -0.9644835     0.9741250 121.2407 49.49187 107.4780 52.68935 13.76269       72.28840 
1 1 1 7   30 3  o 175.9318 88.24408 2.538677       3.408157  0.000000       0.000000  2.538677       3.408157  ?        ?        175.9318 88.24408 ?              ?        
1 1 1 7   30 4  o 166.4351 58.12413 1.475485       1.794577  2.180607       2.449038  0.6578334      2.637228  173.9408 84.90147 158.9294 79.40655 15.01144       116.2483 
1 1 1 7   30 5  o 183.8766 63.73894 3.769358       2.053200  1.232929       2.966393  6.102030       2.844751  159.5254 80.31276 208.2279 98.99733 -48.70247      127.4779 
1 1 1 7   31 0  o 136.8961 49.75032 -0.4139959     0.9250922 4.251389       3.400045  -0.7869802     0.9613605 168.5045 84.97695 105.2876 51.76191 63.21693       99.50064 
1 1 1 7   31 1  o 152.2092 54.57638 0.3728798      0.6433979 0.1109488      0.6519823 10.12365       3.977972  111.8725 51.20352 192.5460 96.39774 -80.67349      109.1528 
1 1 1 7   31 2  o 130.8306 41.73825 0.4363503      0.5138768 0.2698855      0.5922046 0.9437353      1.033902  115.0575 51.04015 146.6037 66.05476 -31.54623      83.47651 
1 1 1 8   0  0  f 2223.361 44.56490 125.6381       7.081274  125.6381       7.081274  125.6381       7.081274  2223.361 63.02428 2223.361 63.02428 0.000000       0.000000 
1 1 1 8   0  1  o 849.8563 34.07850 18.47364       2.058346  18.47364       2.058346  18.47364       2.058346  849.8563 48.19427 849.8563 48.19427 0.000000       0.000000 
1 1 1 8   0  2  o 161.3856 65.30542 0.8410653      1.192116  0.8410653      1.192116  0.8410653      1.192116  161.3856 92.35581 161.3856 92.35581 0.000000       0.000000 
1 1 1 8   0  3  o 470.4915 37.65525 5.820155       1.226556  5.820155       1.226556  5.820155       1.226556  470.4915 53.25256 470.4915 53.25256 0.000000       0.000000 
1 1 1 8   0  4  o 1750.874 39.74813 77.92046       4.971129  77.92046       4.971129  77.92046       4.971129  1750.874 56.21234 1750.874 56.21234 0.000000       0.000000 
1 1 1 8   0  5  o 1743.943 56.37339 77.70158       7.005405  77.70158       7.005405  77.70158       7.005405  1743.943 79.72401 1743.943 79.72401 0.000000       0.000000 
1 1 1 8   0  6  o 570.0281 37.18357 8.449493       1.487872  8.449493       1.487872  8.449493       1.487872  570.0281 52.58552 570.0281 52.58552 0.000000       0.000000 
1 1 1 8   0  7  o 2642.877 71.30771 179.1948       13.44851  179.1948       13.44851  179.1948       13.44851  2642.877 100.8443 2642.877 100.8443 0.000000       0.000000 
1 1 1 8   0  8  o 860.1061 48.15985 19.14145       2.922982  19.14145       2.922982  19.14145       2.922982  860.1061 68.10831 860.1061 68.10831 0.000000       0.000000 
1 1 1 8   0  9  o 905.0553 49.86915 21.18529       3.186381  21.18529       3.186381  21.18529       3.186381  905.0553 70.52563 905.0553 70.52563 0.000000       0.000000 
1 1 1 8   0  10 f 1583.051 56.07982 64.27711       6.319842  64.27711       6.319842  64.27711       6.319842  1583.051 79.30884 1583.051 79.30884 0.000000       0.000000 
1 1 1 8   0  11 o 577.7613 67.73770 9.201737       2.570431  9.201737       2.570431  9.201737       2.570431  577.7613 95.79558 577.7613 95.79558 0.000000       0.000000 
1 1 1 8   0  12 o 1458.794 54.39838 54.85885       5.645617  54.85885       5.645617  54.85885       5.645617  1458.794 76.93093 1458.794 76.93093 0.000000       0.000000 
1 1 1 8   0  13 o 220.1818 88.81416 1.674189       2.195698  1.674189       2.195698  1.674189       2.195698  220.1818 125.6022 220.1818 125.6022 0.000000       0.000000 
1 1 1 8   0  14 o 430.5887 50.76718 5.128935       1.434282  5.128935       1.434282  5.128935       1.434282  430.5887 71.79563 430.5887 71.79563 0.000000       0.000000 
1 1 1 8   0  15 o 504.6374 50.66985 6.955422       1.724109  6.955422       1.724109  6.955422       1.724109  504.6374 71.65799 504.6374 71.65799 0.000000       0.000000 
1 1 1 8   0  16 o 170.7823 68.01962 1.071776       1.266388  1.071776       1.266388  1.071776       1.266388  170.7823 96.19427 170.7823 96.19427 0.000000       0.000000 
1 1 1 8   0  17 o 451.1836 60.90854 5.923048       1.759526  5.923048       1.759526  5.923048       1.759526  451.1836 86.13768 451.1836 86.13768 0.000000       0.000000 
1 1 1 8   0  18 o 254.2565 91.08986 2.824909       2.066418  2.824909       2.066418  2.824909       2.066418  254.2565 128.8205 254.2565 128.8205 0.000000       0.000000 
1 1 1 8   0  19 o 167.0165 71.87222 0.9788162      1.611169  0.9788162      1.611169  0.9788162      1.611169  167.0165 101.6427 167.0165 101.6427 0.000000       0.000000 
1 1 1 8   0  20 o 205.8319 78.80596 2.005095       1.626031  2.005095       1.626031  2.005095       1.626031  205.8319 111.4485 205.8319 111.4485 0.000000       0.000000 
1 1 1 8   0  21 o 439.1852 63.74726 6.158494       1.771260  6.158494       1.771260  6.158494       1.771260  439.1852 90.15224 439.1852 90.15224 0.000000       0.000000 
1 1 1 8   1  0  o 1414.446 36.44210 50.74815       2.609592  50.60341       3.688316  50.89324       3.692729  1412.424 51.57975 1416.468 51.49405 -4.043701      72.88420 
1 1 1 8   1  1  o 1766.802 39.51461 79.18813       3.534493  79.35713       4.994518  79.01857       5.002547  1768.697 55.77717 1764.906 55.98684 3.791260       79.02923 
1 1 1 8   1  2  o 2093.285 43.01071 111.1702       4.558149  111.3041       6.447990  111.0364       6.444404  2094.547 60.80659 2092.024 60.84606 2.522949       86.02142 
1 1 1 8   1  3  o 2246.240 44.69563 128.0236       5.082665  126.8828       7.188599  129.1641       7.187350  2236.209 63.49626 2256.271 62.92076 -20.06128      89.39126 
1 1 1 8   1  4  o 174.6416 49.40028 0.3593597      0.6694242 0.6718670      0.8382170 -0.1909548     1.112325  184.2892 68.02299 164.9940 71.65489 19.29524       98.80056 
1 1 1 8   1  5  o 1017.681 48.84998 26.45487       2.501745  26.41361       3.560375  26.49512       3.516044  1016.826 69.57983 1018.535 68.58521 -1.709167      97.69997 
1 1 1 8   1  6  o 1311.643 50.30273 43.70724       3.340343  0.000000       0.000000  43.70724       3.340343  ?        ?        1311.643 50.30273 ?              ?        
1 1 1 8   1  7  o 674.1907 44.74273 10.75735       1.383030  9.544277       1.618598  14.03891       2.662161  610.3359 52.90588 738.0455 72.17075 -127.7095      89.48547 
1 1 1 8   1  8  o 1304.914 44.96232 43.42580       2.785438  43.44464       3.404977  43.38770       4.842987  1307.634 51.43331 1302.195 73.76352 5.438721       89.92464 
1 1 1 8   1  9  o 497.5502 42.59962 6.408329       1.045506  7.054029       1.474683  5.755779       1.482484  523.7585 56.50916 471.3419 63.76226 52.41666       85.19924 
1 1 1 8   1  10 o 636.9269 39.44692 10.45918       1.246947  8.918329       1.764952  11.99480       1.761950  588.8325 60.04507 685.0213 51.17449 -96.18884      78.89384 
1 1 1 8   1  11 o 993.0044 45.15435 25.56385       2.120156  26.12397       2.605603  24.46634       3.647283  1011.667 51.03753 974.3412 74.50389 37.32623       90.30869 
1 1 1 8   1  12 o 890.8673 43.86239 20.07223       1.888217  19.25318       2.342195  21.59277       3.191291  866.9450 53.62724 914.7897 69.42445 -47.84467      87.72478 
1 1 1 8   1  13 f 512.4561 55.77083 6.255000       1.306077  8.943921       2.452852  5.190924       1.543011  581.2114 85.95163 443.7008 71.09051 137.5106       111.5417 
1 1 1 8   1  14 o 268.0659 59.19748 1.800823       0.9110638 1.206907       1.237907  2.502689       1.345712  231.4823 83.06722 304.6495 84.36350 -73.16718      118.3950 
1 1 1 8   1  15 o 745.6917 39.42240 14.42264       1.476519  13.76488       2.051513  15.12953       2.126746  727.8618 56.10535 763.5214 55.39578 -35.65961      78.84480 
1 1 1 8   1  16 o 775.3328 39.04724 15.59193       1.514136  18.00803       2.231031  13.52884       2.061612  831.7358 53.26283 718.9297 57.11234 112.8060       78.09448 
1 1 1 8   1  17 o 389.1770 63.74546 4.125530       1.197987  3.551156       1.497377  5.147045       1.996900  354.7095 84.57404 423.6444 95.40004 -68.93488      127.4909 
1 1 1 8   1  18 o 136.6166 64.43698 -1.154480      1.160717  0.000000       0.000000  -1.154480      1.160717  ?        ?        136.6166 64.43698 ?              ?        
1 1 1 8   1  19 o 281.2632 69.46747 2.375906       1.342759  3.248860       1.507576  -0.9744450     2.953442  330.5136 88.38268 232.0128 107.1980 98.50085       138.9349 
1 1 1 8   1  20 o 212.9912 59.83880 0.9653060      0.9721727 0.6493417      1.375350  1.280820       1.374370  200.1767 82.93504 225.8057 86.28156 -25.62892      119.6776 
1 1 1 8   1  21 o 181.1987 57.77108 -0.4433139     1.140404  0.5027049      1.674733  -1.261231      1.557221  205.6827 88.62288 156.7147 74.13484 48.96802       115.5422 
1 1 1 8   2  0  o 1156.706 34.63447 33.92641       2.028175  33.81488       2.856849  34.03975       2.879833  1154.794 48.86512 1158.618 49.09568 -3.823853      69.26894 
1 1 1 8   2  1  o 1841.535 40.31802 86.02978       3.758619  84.80745       5.316757  87.25094       5.314225  1828.430 57.43609 1854.641 56.59740 -26.21069      80.63604 
1 1 1 8   2  2  f 4867.022 79.71246 604.2086       19.64106  599.9758       27.77739  608.4409       27.77592  4849.844 113.1306 4884.200 112.3288 -34.35645      159.4249 
1 1 1 8   2  3  o 1612.028 47.01432 65.89423       3.613297  66.12624       6.276649  65.77924       4.418961  1613.443 76.84058 1610.612 54.19329 2.830688       94.02865 
1 1 1 8   2  4  o 1001.465 48.23424 25.60269       2.427124  27.29278       3.442939  23.93300       3.422099  1034.735 66.06769 968.1951 70.29387 66.53986       96.46848 
1 1 1 8   2  5  o 985.1519 42.85223 25.28301       1.986905  26.40300       2.443996  23.09992       3.412166  1020.133 47.32166 950.1705 71.45568 69.96277       85.70445 
1 1 1 8   2  6  o 2004.833 59.92716 102.2903       6.082549  0.000000       0.000000  102.2903       6.082549  ?        ?        2004.833 59.92716 ?              ?        
1 1 1 8   2  7  o 1505.426 45.53792 57.21369       3.295665  59.54005       5.675902  56.03045       4.047935  1526.718 73.43320 1484.135 53.87368 42.58350       91.07584 
1 1 1 8   2  8  o 1379.834 45.46879 48.04125       2.978614  47.10223       3.622165  50.00248       5.234718  1361.480 52.55009 1398.188 74.21679 -36.70813      90.93758 
1 1 1 8   2  9  f 1329.577 36.44370 44.91490       2.452834  44.17138       3.471771  45.65590       3.465899  1318.546 52.00822 1340.609 51.06581 -22.06213      72.88739 
1 1 1 8   2  10 o 768.9697 36.60730 15.10220       1.416781  15.28389       2.010166  14.92285       1.997159  773.6058 51.62135 764.3336 51.91930 9.272217       73.21460 
1 1 1 8   2  11 o 1513.285 46.60314 57.83420       3.393944  56.30719       4.168660  60.83639       5.845129  1486.211 55.40290 1540.360 74.95285 -54.14966      93.20628 
1 1 1 8   2  12 o 1381.081 38.18048 48.72015       2.665297  52.17632       3.786178  45.32493       3.752644  1430.024 52.29668 1332.139 55.64220 97.88501       76.36097 
1 1 1 8   2  13 o 1356.462 44.48727 45.33228       2.919788  53.66577       5.081929  41.22588       3.567355  1443.687 69.52996 1269.237 55.51623 174.4497       88.97453 
1 1 1 8   2  14 o 1875.934 60.00339 90.62254       5.698716  90.62254       5.698716  0.000000       0.000000  1875.934 60.00339 ?        ?        ?              ?        
1 1 1 8   2  15 f 198.7872 61.13501 0.2894679E-01  1.055144  -0.8073437     2.089860  0.3150598      1.222384  208.6766 93.97784 188.8978 78.21844 19.77876       122.2700 
1 1 1 8   2  16 o 502.3418 67.05674 7.295611       1.492572  6.437511       2.742764  7.656642       1.779063  468.8372 116.1513 535.8464 67.04705 -67.00925      134.1135 
1 1 1 8   2  17 f 391.7899 61.56971 4.409003       1.185441  4.873014       1.581276  3.813602       1.791217  419.8662 77.23579 363.7137 95.90594 56.15259       123.1394 
1 1 1 8   2  18 o 431.7975 83.96021 5.293824       1.769333  0.000000       0.000000  5.293824       1.769333  ?        ?        431.7975 83.96021 ?              ?        
1 1 1 8   2  19 o 985.0520 55.81997 27.30456       2.504588  27.27434       2.996213  27.37464       4.563298  1006.105 59.08208 963.9993 94.72477 42.10535       111.6399 
1 1 1 8   2  20 o 829.9083 43.66619 19.01910       1.816910  18.41742       2.630216  19.56826       2.512800  814.4374 64.31292 845.3793 59.08293 -30.94189      87.33238 
1 1 1 8   2  21 o 194.2153 57.11699 -0.2823983     1.115353  -2.687385      1.629969  1.835283       1.529513  137.9902 67.74980 250.4404 91.97481 -112.4502      114.2340 
1 1 1 8   3  0  o 1003.174 40.71705 24.59018       1.957979  28.87679       3.444238  22.54344       2.379950  1064.736 64.19531 941.6117 50.10463 123.1244       81.43410 
1 1 1 8   3  1  o 1270.370 44.48147 41.42019       2.665491  39.88185       4.646614  42.17468       3.254145  1250.953 73.69441 1289.786 49.83512 -38.83325      88.96294 
1 1 1 8   3  2  o 3779.620 79.31702 365.0561       14.28196  366.5357       17.48390  362.0888       24.75934  3795.938 90.97784 3763.302 129.9530 32.63647       158.6340 
1 1 1 8   3  3  o 2917.853 74.39072 216.2467       10.98920  216.2467       10.98920  0.000000       0.000000  2917.853 74.39072 ?        ?        ?              ?        
1 1 1 8   3  4  o 2200.375 54.42511 123.9830       5.705271  125.7502       7.001905  120.4919       9.841454  2225.581 62.14256 2175.167 89.36818 50.41382       108.8502 
1 1 1 8   3  5  o 987.7128 42.28172 24.97407       1.983573  24.49626       3.417956  25.21672       2.435699  978.6473 69.43605 996.7782 48.26603 -18.13086      84.56343 
1 1 1 8   3  6  f 1227.043 35.92352 38.27773       2.231134  38.80447       3.137175  37.73864       3.173743  1235.651 50.14868 1218.435 51.45005 17.21558       71.84704 
1 1 1 8   3  7  o 799.7844 45.11975 16.39447       1.702124  16.42654       2.959512  16.37861       2.080689  798.5982 74.04163 800.9707 51.58493 -2.372498      90.23950 
1 1 1 8   3  8  o 1516.605 47.05437 59.10693       3.372841  59.97189       4.119260  57.34739       5.875188  1536.247 52.96323 1496.963 77.79044 39.28430       94.10874 
1 1 1 8   3  9  o 1144.784 36.10328 33.34829       2.085374  30.04399       2.936311  36.71109       2.962188  1087.285 53.34273 1202.283 48.66561 -114.9988      72.20657 
1 1 1 8   3  10 o 1471.805 37.97866 55.13278       2.828318  57.27669       4.000647  52.99059       3.999045  1500.564 52.66135 1443.046 54.73845 57.51831       75.95732 
1 1 1 8   3  11 o 2541.587 59.60086 164.8880       7.266830  161.9385       8.915167  170.7272       12.54398  2514.583 70.02930 2568.590 96.46217 -54.00659      119.2017 
1 1 1 8   3  12 o 413.1068 63.87078 4.577271       1.220081  4.538129       2.198636  4.594687       1.466621  409.0667 105.4826 417.1469 72.05087 -8.080231      127.7416 
1 1 1 8   3  13 o 593.0812 51.95221 9.195290       1.451593  9.251532       2.454897  9.165053       1.799984  591.4037 84.38371 594.7587 60.62604 -3.355042      103.9044 
1 1 1 8   3  14 o 533.5560 62.23003 7.514596       1.464553  7.339328       1.724128  7.968785       2.775478  528.9540 65.80498 538.1581 105.6409 -9.204041      124.4601 
1 1 1 8   3  15 o 387.3436 55.83908 4.098943       1.056912  4.272263       1.466001  3.911356       1.525151  397.0381 75.69508 377.6491 82.11131 19.38898       111.6782 
1 1 1 8   3  16 f 641.5145 47.99330 10.40513       1.489042  7.885143       1.890722  14.52085       2.416304  542.1754 70.55326 740.8536 65.08199 -198.6782      95.98660 
1 1 1 8   3  17 o 1021.252 46.85454 27.88393       2.327555  28.19983       2.953022  27.36576       3.782021  1035.838 56.52437 1006.667 74.74214 29.17151       93.70908 
1 1 1 8   3  18 o 579.8503 72.67265 11.01977       1.772391  7.349660       3.280189  12.53314       2.106349  475.8015 131.6963 683.8992 61.49255 -208.0976      145.3453 
1 1 1 8   3  19 o 335.5122 76.09280 3.647783       1.447958  2.629214       2.813137  4.014889       1.688851  306.0959 121.5598 364.9286 91.56241 -58.83276      152.1856 
1 1 1 8   3  20 o 288.2505 60.71906 2.129641       1.173935  4.657484       1.702109  -0.1636854     1.621233  390.1631 88.23750 186.3380 83.43476 203.8251       121.4381 
1 1 1 8   3  21 o 246.7931 64.07802 1.758343       1.076784  1.166914       1.597224  2.251095       1.457901  224.3173 90.72969 269.2688 90.51018 -44.95154      128.1560 
1 1 1 8   4  0  o 1356.646 44.43637 46.86234       2.854035  47.04002       3.481036  46.49796       4.984919  1362.136 50.47827 1351.155 73.14581 10.98047       88.87275 
1 1 1 8   4  1  o 3265.900 68.52614 266.4906       10.77474  255.9137       13.20022  287.6068       18.65131  3173.167 82.16838 3358.632 109.6890 -185.4651      137.0523 
1 1 1 8   4  2  o 3482.431 73.05439 306.5035       12.19454  301.4528       14.94515  316.5648       21.09353  3443.305 85.73164 3521.557 118.3126 -78.25244      146.1088 
1 1 1 8   4  3  o 1712.154 47.35908 74.24478       3.882201  73.86904       4.764293  74.98727       6.697298  1706.541 55.14399 1717.766 77.01084 -11.22546      94.71815 
1 1 1 8   4  4  o 1553.318 46.32320 61.59203       3.430812  60.46226       5.924507  62.16204       4.208217  1541.539 75.91263 1565.097 53.10961 -23.55835      92.64641 
1 1 1 8   4  5  o 2431.378 58.06021 152.1989       6.718824  147.2321       11.59136  154.7120       8.245251  2397.533 95.49619 2465.224 66.06385 -67.69092      116.1204 
1 1 1 8   4  6  o 1627.459 38.54666 67.38367       3.175942  67.63193       4.483582  67.13366       4.499381  1630.497 54.31522 1624.421 54.71049 6.076172       77.09332 
1 1 1 8   4  7  o 490.0636 52.75005 6.181219       1.148320  6.465559       2.153308  6.068220       1.357452  494.9493 89.21523 485.1779 56.31086 9.771393       105.5001 
1 1 1 8   4  8  o 1002.045 34.42595 25.48860       1.739338  23.21674       2.410106  27.95797       2.512690  954.7582 50.03487 1049.332 47.29795 -94.57367      68.85191 
1 1 1 8   4  9  f 820.1125 46.52496 17.15021       1.753267  17.01676       2.093229  17.46390       3.209351  816.8098 50.87130 823.4153 77.91277 -6.605530      93.04993 
1 1 1 8   4  10 o 1886.728 41.69980 90.70150       3.982592  88.67489       5.615025  92.75316       5.649607  1865.419 59.45546 1908.038 58.48541 -42.61951      83.39960 
1 1 1 8   4  11 o 1073.618 44.28210 29.90626       2.287131  30.86311       2.864864  28.22465       3.797901  1100.526 51.41856 1046.710 72.10928 53.81628       88.56419 
1 1 1 8   4  12 o 964.7551 46.44084 24.49508       2.100086  22.48713       3.619925  25.51374       2.578336  930.8763 77.51576 998.6339 51.16944 -67.75757      92.88168 
1 1 1 8   4  13 o 585.0802 40.56713 8.856558       1.184804  9.370040       1.686454  8.356125       1.664887  602.2897 55.94691 567.8707 58.75979 34.41901       81.13427 
1 1 1 8   4  14 o 662.4744 41.11078 11.39949       1.362355  12.15623       1.930580  10.64887       1.922767  685.0966 56.15468 639.8522 60.05862 45.24438       82.22157 
1 1 1 8   4  15 o 788.4523 39.94732 16.18276       1.583595  15.88279       2.248268  16.47812       2.230916  780.8698 57.26978 796.0347 55.70751 -15.16498      79.89465 
1 1 1 8   4  16 o 1609.484 41.00593 67.63372       3.341192  68.43152       4.738574  66.84489       4.711857  1619.076 57.80916 1599.891 58.17255 19.18542       82.01186 
1 1 1 8   4  17 o 1318.886 39.61605 45.66199       2.640856  48.59077       3.735109  42.73438       3.734360  1362.735 54.13874 1275.037 57.85086 87.69849       79.23209 
1 1 1 8   4  18 o 522.3808 50.08670 7.510410       1.287055  7.719151       1.779359  7.281356       1.863926  531.8890 67.60577 512.8726 73.92003 19.01636       100.1734 
1 1 1 8   4  19 o 292.6557 78.96451 2.413848       1.696472  3.324522       2.211881  1.112751       2.643841  324.2847 111.4569 261.0268 111.8881 63.25793       157.9290 
1 1 1 8   4  20 o 228.8802 71.30605 0.5045053      1.588833  0.5373459      2.068409  0.4572383      2.481472  223.0388 97.27772 234.7216 104.2845 -11.68277      142.6121 
1 1 1 8   4  21 o 191.0223 62.06616 -0.6558654     1.386855  0.2801437      2.014505  -1.499145      1.912115  211.3455 93.92709 170.6992 81.15746 40.64638       124.1323 
1 1 1 8   5  0  o 1029.899 41.45470 27.52925       2.027065  28.76117       2.511826  25.22867       3.432562  1065.229 46.57606 994.5680 68.59038 70.66138       82.90941 
1 1 1 8   5  1  o 3131.226 68.23431 250.3396       10.18989  251.8338       12.49283  247.3696       17.61334  3148.238 78.38079 3114.215 111.7145 34.02295       136.4686 
1 1 1 8   5  2  o 1452.774 43.76852 52.45214       3.073166  50.02182       3.776282  57.21814       5.288214  1404.449 53.10981 1501.099 69.58507 -96.64954      87.53704 
1 1 1 8   5  3  o 2624.194 60.54612 175.5161       7.583880  174.7508       13.11263  175.9008       9.296494  2617.362 98.95605 2631.026 69.79276 -13.66431      121.0922 
1 1 1 8   5  4  o 1665.815 48.12070 71.77127       3.810994  67.08894       6.530399  74.18943       4.693010  1622.403 79.50552 1709.227 54.23356 -86.82361      96.24139 
1 1 1 8   5  5  o 1983.495 42.04785 100.1300       4.219982  95.77681       5.941479  104.5617       5.994789  1939.801 60.49977 2027.189 58.41117 -87.38831      84.09570 
1 1 1 8   5  6  o 1023.649 35.01192 26.64339       1.814052  27.29435       2.564815  25.99177       2.566101  1036.218 48.89016 1011.081 50.13074 25.13660       70.02384 
1 1 1 8   5  7  o 1491.084 37.41093 56.52403       2.823576  57.92438       3.999601  55.13270       3.986708  1509.565 52.33368 1472.604 53.47426 36.96057       74.82186 
1 1 1 8   5  8  o 1681.885 48.74292 72.05958       3.911690  72.12587       6.776551  72.02646       4.790361  1680.624 79.64425 1683.145 56.21640 -2.520630      97.48585 
1 1 1 8   5  9  o 756.1622 47.00693 15.09066       1.629589  15.78321       1.976520  13.62062       2.879641  786.5548 49.89336 725.7695 79.68224 60.78528       94.01386 
1 1 1 8   5  10 o 1402.042 45.32738 50.26625       3.052011  50.31251       3.774792  50.17892       5.186411  1405.757 53.03948 1398.327 73.51938 7.429199       90.65476 
1 1 1 8   5  11 o 1710.412 47.94201 73.28249       3.945077  80.36330       6.858789  69.78168       4.822698  1767.863 76.63290 1652.961 57.62936 114.9021       95.88401 
1 1 1 8   5  12 o 1053.985 36.84663 28.36559       1.966050  28.69865       2.796336  28.04000       2.764763  1060.104 52.10233 1047.866 52.11568 12.23804       73.69326 
1 1 1 8   5  13 o 893.7323 37.67049 20.52599       1.696617  20.76333       2.397371  20.28785       2.401393  899.0167 52.90569 888.4480 53.64003 10.56866       75.34099 
1 1 1 8   5  14 f 967.6765 46.13043 23.87116       2.131686  25.99288       3.706287  22.82234       2.605829  995.4161 74.07493 939.9368 54.99973 55.47931       92.26086 
1 1 1 8   5  15 o 1185.665 50.23618 37.58055       2.751751  38.47269       3.321267  35.62736       4.914253  1219.238 53.80612 1152.092 84.85044 67.14648       100.4724 
1 1 1 8   5  16 o 169.4467 54.11610 -0.6257460     0.9954395 -0.2709230     1.378681  -1.012172      1.438769  177.2374 78.28611 161.6560 74.73617 15.58134       108.2322 
1 1 1 8   5  17 o 640.5352 64.53799 11.97799       1.883310  10.11430       3.136082  13.02922       2.355308  585.1888 109.8895 695.8815 67.71185 -110.6927      129.0760 
1 1 1 8   5  18 o 443.1276 64.35941 5.607415       1.387166  4.693021       1.826445  6.853812       2.132398  399.5659 92.16788 486.6893 89.85329 -87.12332      128.7188 
1 1 1 8   5  19 o 266.7687 77.52618 1.614767       1.718503  2.342140       2.138107  0.2873344      2.888398  284.9551 107.9192 248.5824 111.3314 36.37271       155.0524 
1 1 1 8   5  20 o 221.3374 66.99628 0.7763769      1.292816  1.139265       1.524361  -0.1534387     2.440057  222.7879 89.15284 219.8869 100.0289 2.901001       133.9926 
1 1 1 8   5  21 o 523.1448 70.16380 9.000968       1.617416  9.194861       1.923092  8.532288       2.989907  564.5993 68.69414 481.6903 122.3640 82.90900       140.3276 
1 1 1 8   6  0  o 2605.548 59.06459 171.4231       7.379847  168.9261       9.051716  176.3735       12.74494  2579.271 69.31868 2631.826 95.65263 -52.55469      118.1292 
1 1 1 8   6  1  o 1875.701 40.38994 89.25793       3.835325  88.14758       5.414023  90.37647       5.433968  1863.973 57.37158 1887.430 56.86731 -23.45630      80.77988 
1 1 1 8   6  2  o 1847.143 49.10871 86.15192       4.350075  88.38522       7.507340  85.02306       5.337432  1863.965 79.55449 1830.321 57.59986 33.64404       98.21741 
1 1 1 8   6  3  o 1193.418 43.31046 37.14329       2.439786  33.63800       4.169592  38.96831       3.008613  1147.532 72.13747 1239.305 47.95175 -91.77307      86.62093 
1 1 1 8   6  4  o 2348.278 45.68316 140.3928       5.430163  137.1657       7.669927  143.6360       7.688931  2321.082 65.27052 2375.473 63.93404 -54.39136      91.36631 
1 1 1 8   6  5  o 1631.741 38.21034 67.74131       3.155967  66.10333       4.456820  69.38871       4.469629  1611.868 54.61502 1651.614 53.45390 -39.74609      76.42068 
1 1 1 8   6  6  o 1908.690 41.30423 92.76155       3.990229  89.92200       5.619812  95.64853       5.666549  1879.105 59.07272 1938.274 57.74573 -59.16833      82.60845 
1 1 1 8   6  7  o 2248.394 44.94999 128.7176       5.116601  128.1491       7.238625  129.2853       7.233310  2243.398 63.73326 2253.389 63.40409 -9.991211      89.89999 
1 1 1 8   6  8  o 1693.083 48.15411 71.94814       3.916969  76.48605       6.787658  69.68246       4.796133  1730.876 77.45871 1655.290 57.23129 75.58667       96.30821 
1 1 1 8   6  9  o 1532.476 38.16281 59.73713       2.960564  58.57355       4.170729  60.91890       4.203200  1517.390 54.29141 1547.561 53.64739 -30.17102      76.32561 
1 1 1 8   6  10 o 289.7371 47.44330 2.276144       0.8666025 4.342129       1.143697  -0.5091920     1.327964  408.8524 56.78699 170.6217 76.01779 238.2306       94.88660 
1 1 1 8   6  11 o 871.7732 44.34434 19.13332       1.832645  20.81162       3.229967  18.33651       2.225569  897.3455 71.69622 846.2009 52.20473 51.14459       88.68868 
1 1 1 8   6  12 o 1523.031 38.77881 59.32653       2.989799  58.15846       4.213042  60.51159       4.243551  1507.830 55.18994 1538.233 54.49087 -30.40332      77.55762 
1 1 1 8   6  13 o 1511.781 39.33054 58.66920       3.007577  55.66555       4.241340  61.70715       4.265476  1472.371 56.89868 1551.190 54.31489 -78.81921      78.66109 
1 1 1 8   6  14 o 1618.164 50.97695 69.04616       3.901815  66.83720       6.757986  70.15071       4.778783  1588.301 84.34518 1648.027 57.27555 -59.72620      101.9539 
1 1 1 8   6  15 o 1161.540 50.00940 35.50238       2.692033  35.28971       3.230381  35.98578       4.870272  1166.364 54.70615 1156.716 83.73170 9.647461       100.0188 
1 1 1 8   6  16 o 498.3914 65.16089 6.132771       1.495517  4.457429       1.781965  10.12394       2.750411  396.1494 90.79274 600.6335 93.49033 -204.4841      130.3218 
1 1 1 8   6  17 o 191.5445 61.99205 -0.8763678     1.331958  -0.8929475     2.069168  -0.8646366     1.740520  200.3260 91.51011 182.7630 83.65378 17.56303       123.9841 
1 1 1 8   6  18 f 542.8680 49.83604 8.208900       1.320016  9.110773       1.822291  7.213237       1.914703  579.2354 63.16509 506.5008 77.10184 72.73459       99.67208 
1 1 1 8   6  19 o 352.3619 63.96908 3.768090       1.176013  2.670077       1.607343  5.032985       1.725169  294.7431 94.84176 409.9807 85.86741 -115.2376      127.9382 
1 1 1 8   6  20 o 439.1380 78.64840 6.994733       1.640846  7.372262       1.869170  5.726425       3.425993  501.7984 75.95114 376.4775 137.7451 125.3209       157.2968 
1 1 1 8   6  21 o 358.8780 74.21721 4.783971       1.485390  5.385124       1.782612  3.418435       2.686680  412.6988 88.00491 305.0572 119.5321 107.6415       148.4344 
1 1 1 8   7  0  o 1448.698 36.08389 53.24239       2.645297  51.15601       3.726224  55.36223       3.755982  1420.035 51.83060 1477.360 50.21730 -57.32520      72.16778 
1 1 1 8   7  1  o 574.0690 44.30928 8.789118       1.184170  7.457483       1.963037  9.550889       1.484733  536.4271 74.27567 611.7109 48.33603 -75.28387      88.61855 
1 1 1 8   7  2  o 569.4097 45.00904 8.379921       1.223705  8.210323       2.018587  8.478462       1.538675  563.3983 72.44852 575.4211 53.42720 -12.02289      90.01807 
1 1 1 8   7  3  o 303.1594 48.64158 2.440041       0.7290484 2.563126       1.004882  2.303256       1.059332  311.5089 65.78156 294.8100 71.67148 16.69888       97.28316 
1 1 1 8   7  4  o 3154.521 55.83912 254.5592       8.914052  245.7945       12.59079  263.3674       12.62201  3099.544 80.23643 3209.498 77.67975 -109.9531      111.6782 
1 1 1 8   7  5  o 3069.784 67.10519 240.2563       9.853752  249.2006       17.11729  235.8232       12.05074  3104.279 108.9158 3035.290 78.42054 68.98877       134.2104 
1 1 1 8   7  6  o 1020.819 34.56105 26.49220       1.780474  24.60033       2.482919  28.49481       2.554548  982.5803 50.07880 1059.058 47.64429 -76.47742      69.12210 
1 1 1 8   7  7  o 2197.666 44.03683 122.9480       4.897966  118.8897       6.905976  127.0555       6.947753  2161.006 63.12269 2234.325 61.42065 -73.31909      88.07367 
1 1 1 8   7  8  o 1574.904 38.15613 63.04477       3.041511  61.05531       4.264968  65.10358       4.338671  1549.577 54.36496 1600.230 53.55383 -50.65356      76.31226 
1 1 1 8   7  9  o 812.9392 49.48831 17.06767       2.008739  15.95682       2.900731  18.09122       2.784410  786.5275 73.70631 839.3508 66.05871 -52.82330      98.97662 
1 1 1 8   7  10 o 403.2726 61.25742 4.165679       1.129269  3.899477       1.342051  4.811250       2.089943  384.0172 71.66544 422.5281 99.36774 -38.51089      122.5148 
1 1 1 8   7  11 f 1133.941 36.43916 32.81429       2.091707  32.54808       2.933778  33.08952       2.983080  1129.303 51.31364 1138.579 51.75095 -9.275146      72.87833 
1 1 1 8   7  12 f 654.6204 39.68401 11.05216       1.302117  11.39660       1.851239  10.71489       1.831855  664.9182 55.50072 644.3226 56.73580 20.59552       79.36801 
1 1 1 8   7  13 o 1007.190 37.56278 26.10510       1.907964  25.27032       2.688653  26.95192       2.707989  990.7135 53.80651 1023.666 52.42814 -32.95294      75.12556 
1 1 1 8   7  14 o 965.9852 38.85602 24.04845       1.881949  20.48535       2.578789  28.10825       2.752667  887.8251 57.68542 1044.145 52.07258 -156.3201      77.71204 
1 1 1 8   7  15 o 207.6539 61.19537 0.3788935      1.057454  0.1965390      1.392380  0.6274099      1.625463  193.7324 82.05713 221.5755 90.80816 -27.84306      122.3907 
1 1 1 8   7  16 o 270.9135 63.73353 1.482498       1.133268  0.5655385E-01  1.478351  3.514553       1.764794  192.8034 83.16864 349.0235 96.59621 -156.2201      127.4671 
1 1 1 8   7  17 o 874.1620 40.99510 20.20734       1.800435  18.73880       2.463739  21.89037       2.637535  839.8516 58.30524 908.4724 57.64454 -68.62073      81.99020 
1 1 1 8   7  18 o 367.4662 62.62152 4.070479       1.146750  4.441010       1.494510  3.539996       1.788224  393.9678 77.69057 340.9645 98.23438 53.00330       125.2430 
1 1 1 8   7  19 o 241.1460 65.58791 1.513570       1.140011  1.842251       1.510611  1.078719       1.737542  253.5300 91.66245 228.7621 93.83546 24.76796       131.1758 
1 1 1 8   7  20 o 317.5600 61.43021 3.305873       1.265409  5.379051       1.644758  0.2988109      1.980865  423.7013 79.59852 211.4188 93.58825 212.2825       122.8604 
1 1 1 8   7  21 o 389.1981 76.67056 5.156461       1.493301  4.532030       1.815041  6.464631       2.627097  366.9329 96.43940 411.4633 119.2180 -44.53036      153.3411 
1 1 1 8   8  0  o 1433.306 51.37080 52.29780       3.718204  50.14982       5.136080  54.66320       5.389758  1401.491 72.63570 1465.120 72.66286 -63.62842      102.7416 
1 1 1 8   8  1  o 1782.742 55.33743 80.80861       4.984368  74.09644       6.855384  88.33631       7.259919  1704.242 79.45420 1861.242 77.04514 -156.9999      110.6749 
1 1 1 8   8  2  f 2352.537 55.47389 139.6596       6.230117  136.4162       7.592649  146.3437       10.89981  2314.490 64.79692 2390.584 90.05981 -76.09448      110.9478 
1 1 1 8   8  3  o 830.0151 41.05822 15.83781       1.581510  13.37166       1.852595  22.46371       3.036637  723.4531 50.90532 936.5771 64.43414 -213.1240      82.11643 
1 1 1 8   8  4  o 2363.891 45.76159 142.5544       5.476260  140.6768       7.743761  144.4328       7.745441  2348.200 65.13781 2379.581 64.29274 -31.38110      91.52317 
1 1 1 8   8  5  o 1229.053 35.62309 38.40221       2.215834  37.03891       3.114952  39.79877       3.152714  1206.909 50.97922 1251.198 49.77084 -44.28894      71.24617 
1 1 1 8   8  6  o 708.3093 35.11941 12.79987       1.250461  12.14765       1.745312  13.48781       1.792468  689.6085 50.33818 727.0102 48.98530 -37.40173      70.23882 
1 1 1 8   8  7  o 1476.922 37.56154 55.44487       2.808304  55.27687       3.942034  55.61800       4.001720  1474.688 52.80034 1479.157 53.43784 -4.469360      75.12309 
1 1 1 8   8  8  o 893.6778 35.72437 20.36755       1.609403  20.39597       2.299840  20.34028       2.252962  894.2256 51.01179 893.1300 50.02720 1.095581       71.44875 
1 1 1 8   8  9  o 536.1647 54.77578 7.586785       1.428243  6.821649       2.097505  8.248234       1.950212  508.6885 84.40426 563.6408 69.83887 -54.95233      109.5516 
1 1 1 8   8  10 o 1258.231 53.49861 40.93636       3.385412  42.82259       4.725386  38.94725       4.852537  1289.088 72.70213 1227.374 78.50353 61.71436       106.9972 
1 1 1 8   8  11 o 735.0427 38.41587 13.93744       1.413433  14.73082       1.953213  13.06524       2.047943  757.8151 51.21049 712.2704 57.27654 45.54462       76.83174 
1 1 1 8   8  12 f 1337.688 37.75807 45.83930       2.556648  46.60335       3.604875  45.06604       3.626516  1349.085 52.77974 1326.291 54.00914 22.79431       75.51614 
1 1 1 8   8  13 o 241.8446 57.54774 1.419434       0.8796142 0.5891466      1.344266  2.041125       1.163210  207.9611 83.54339 275.7281 79.16737 -67.76697      115.0955 
1 1 1 8   8  14 o 378.5706 62.22022 4.037389       1.173682  4.624303       1.590399  3.335475       1.739244  411.6380 79.18964 345.5031 95.99179 66.13486       124.4404 
1 1 1 8   8  15 o 403.0869 75.69363 4.710980       1.553297  4.647353       2.018577  4.803352       2.432175  402.2115 99.64375 403.9622 113.9703 -1.750763      151.3873 
1 1 1 8   8  16 o 425.0874 83.90584 5.213933       1.868295  3.849590       2.382703  7.391724       3.010345  359.7203 115.4439 490.4545 121.7927 -130.7342      167.8117 
1 1 1 8   8  17 o 719.2776 44.21315 13.93445       1.590284  14.36067       2.202901  13.47057       2.298123  732.5543 59.92247 706.0010 65.02697 26.55334       88.42629 
1 1 1 8   8  18 o 744.9771 43.38521 15.16421       1.604633  15.60568       2.147343  14.60596       2.414701  761.6005 56.08637 728.3536 66.20743 33.24689       86.77042 
1 1 1 8   8  19 o 206.3355 60.31669 0.7812166      0.9899493 0.8470556      1.213808  0.6504276      1.710779  200.0979 79.72770 212.5732 90.53125 -12.47539      120.6334 
1 1 1 8   8  20 o 282.8056 75.26451 2.526942       1.403905  2.886676       2.465877  2.354415       1.707691  293.1543 114.6122 272.4569 97.58603 20.69736       150.5290 
1 1 1 8   8  21 o 269.6418 79.20864 1.979303       1.487759  1.411524       1.668065  4.187918       3.289905  227.8067 92.51714 311.4770 128.5948 -83.67021      158.4173 
1 1 1 8   9  0  o 1847.936 57.41940 87.21090       5.365299  84.97079       7.372375  89.73322       7.823017  1823.050 79.87766 1872.822 82.50764 -49.77234      114.8388 
1 1 1 8   9  1  o 3092.800 66.14665 241.7302       9.796586  233.8667       11.95516  257.8035       17.09225  3024.208 78.08369 3161.392 106.7917 -137.1846      132.2933 
1 1 1 8   9  2  o 2123.440 50.50357 112.3653       5.131180  106.9255       6.234418  123.7878       9.034049  2048.564 60.11221 2198.316 81.17245 -149.7522      101.0071 
1 1 1 8   9  3  f 728.5223 54.79345 15.24067       1.626480  16.81239       1.902037  10.96435       3.137370  811.9854 46.46161 645.0593 99.25024 166.9261       109.5869 
1 1 1 8   9  4  o 717.2803 58.95382 13.42007       2.088176  14.57953       2.910662  12.19039       2.997508  750.9341 77.68394 683.6264 88.69845 67.30774       117.9076 
1 1 1 8   9  5  o 760.2361 35.88470 14.74321       1.372460  15.44611       1.968671  14.07854       1.914370  777.9929 50.25061 742.4792 51.24180 35.51361       71.76939 
1 1 1 8   9  6  o 880.0532 35.25761 19.73374       1.563611  19.52549       2.171330  19.95804       2.253519  875.2964 49.19849 884.8100 50.51639 -9.513611      70.51523 
1 1 1 8   9  7  o 1489.144 37.84887 56.39247       2.853431  56.78745       4.039465  55.99909       4.031270  1494.366 53.39288 1483.923 53.65954 10.44287       75.69773 
1 1 1 8   9  8  o 546.6824 47.00392 7.697486       1.242905  7.546349       1.587345  7.936987       1.998204  541.0103 58.90583 552.3545 73.26374 -11.34418      94.00784 
1 1 1 8   9  9  o 411.6796 45.97728 4.466112       0.9192660 4.719406       1.248006  4.165683       1.359173  425.8506 59.51237 397.5086 70.09933 28.34195       91.95455 
1 1 1 8   9  10 o 638.5065 50.29461 10.98596       1.497184  9.350425       2.467761  11.93863       1.883408  595.6752 84.17431 681.3378 55.07156 -85.66254      100.5892 
1 1 1 8   9  11 o 708.6714 38.94720 12.97500       1.380988  13.90263       1.926310  11.99409       1.980857  735.6068 52.06083 681.7361 57.94143 53.87073       77.89441 
1 1 1 8   9  12 o 890.1949 37.36752 20.39046       1.676071  19.82653       2.363167  20.96127       2.377544  877.6046 53.44237 902.7853 52.24212 -25.18073      74.73504 
1 1 1 8   9  13 o 1268.399 38.52433 41.50340       2.471962  41.72372       3.435022  41.26674       3.560097  1272.386 53.32454 1264.413 55.61465 7.972900       77.04866 
1 1 1 8   9  14 o 612.7023 45.42142 9.868834       1.369122  8.006472       1.863712  12.05217       2.017933  547.8094 68.71113 677.5952 59.42393 -129.7857      90.84285 
1 1 1 8   9  15 o 417.5791 77.56653 5.151371       1.702915  3.724442       2.394526  6.611575       2.422284  357.5660 115.8327 477.5922 103.1942 -120.0262      155.1331 
1 1 1 8   9  16 o 778.1352 63.87317 16.68050       2.438277  14.06563       3.186219  20.37593       3.787763  704.6523 91.47121 851.6181 89.17481 -146.9658      127.7463 
1 1 1 8   9  17 o 883.7609 41.06459 20.81463       1.821608  18.76075       2.505985  23.11577       2.652542  836.2950 59.57770 931.2267 56.53054 -94.93176      82.12919 
1 1 1 8   9  18 o 626.1625 47.87078 10.79107       1.463282  8.418594       1.963111  13.75725       2.195045  544.4425 73.06494 707.8825 61.87051 -163.4400      95.74156 
1 1 1 8   9  19 o 311.1026 64.48761 2.823669       1.115535  1.685588       1.429344  4.597075       1.784243  242.3043 88.92336 379.9009 93.41971 -137.5967      128.9752 
1 1 1 8   9  20 o 219.0517 66.59289 0.5798891      1.409142  1.764211       1.908359  -0.8400790     2.089607  249.1702 99.73714 188.9332 88.26637 60.23694       133.1858 
1 1 1 8   10 0  o 2395.921 55.55300 144.0441       6.348482  138.4245       7.704512  155.9294       11.20459  2328.936 65.34375 2462.907 89.85954 -133.9714      111.1060 
1 1 1 8   10 1  o 1281.951 35.04033 41.79712       2.273846  40.83708       3.203492  42.77194       3.228058  1267.068 49.93903 1296.833 49.16697 -29.76550      70.08065 
1 1 1 8   10 2  o 1632.883 38.41449 67.90743       3.172633  71.56570       4.499429  64.29001       4.474239  1676.862 53.00008 1588.903 55.62091 87.95825       76.82899 
1 1 1 8   10 3  o 425.3357 71.40748 4.973542       1.536597  3.508175       2.289954  6.173753       2.072442  367.3965 112.5254 483.2749 87.94397 -115.8784      142.8150 
1 1 1 8   10 4  o 486.1938 63.22708 6.545702       1.301796  6.884522       1.511089  5.570380       2.563777  516.7750 58.80420 455.6128 111.9496 61.16220       126.4542 
1 1 1 8   10 5  o 2641.048 60.62069 175.4612       7.661398  188.1043       13.40509  169.3279       9.336546  2705.962 97.85077 2576.134 71.58700 129.8281       121.2414 
1 1 1 8   10 6  o 1447.000 37.42492 53.23902       2.736491  48.98362       3.830898  57.67263       3.910288  1387.762 54.52579 1506.238 51.27805 -118.4762      74.84985 
1 1 1 8   10 7  o 845.6917 36.07121 18.24451       1.536189  17.36300       2.144517  19.17358       2.201607  824.5636 51.63172 866.8196 50.38546 -42.25604      72.14242 
1 1 1 8   10 8  o 1234.260 43.85574 39.30375       2.593503  40.05122       3.217458  37.91709       4.382270  1254.039 50.67785 1214.481 71.58952 39.55774       87.71148 
1 1 1 8   10 9  o 798.8187 44.12106 16.34349       1.685337  16.73652       2.868342  16.13626       2.082779  804.0927 71.19581 793.5447 52.13281 10.54797       88.24213 
1 1 1 8   10 10 o 538.2999 51.88532 7.675631       1.318690  7.320181       2.164741  7.885361       1.662826  525.1852 84.26532 551.4146 60.56155 -26.22937      103.7706 
1 1 1 8   10 11 o 229.1744 65.77010 0.4926377      0.8669190 0.3354551      0.9334188 1.479344       2.338666  171.3273 69.33742 287.0216 111.7817 -115.6943      131.5402 
1 1 1 8   10 12 o 1011.405 36.29610 26.29223       1.854115  25.15766       2.601581  27.46334       2.643143  988.3298 52.17876 1034.480 50.46785 -46.15039      72.59219 
1 1 1 8   10 13 o 196.2597 58.77073 0.1213614      0.9965106 -0.1525990     1.293582  0.5212492      1.562856  176.5258 76.96199 215.9935 88.84169 -39.46777      117.5415 
1 1 1 8   10 14 o 806.1537 47.68758 16.61977       1.868740  14.82963       2.323855  19.89604       3.143808  749.6854 61.77755 862.6219 72.66330 -112.9365      95.37516 
1 1 1 8   10 15 o 207.5094 87.02267 0.4125383      1.541064  0.000000       0.000000  0.4125383      1.541064  ?        ?        207.5094 87.02267 ?              ?        
1 1 1 8   10 16 o 344.4872 67.07881 4.150444       1.398555  5.391387       1.571651  -0.5705909     3.065481  440.8629 72.96793 248.1116 112.5786 192.7514       134.1576 
1 1 1 8   10 17 o 309.2773 62.78703 2.906946       1.055316  3.393006       1.367453  2.191134       1.659459  341.6467 80.39828 276.9078 96.46222 64.73895       125.5741 
1 1 1 8   10 18 o 598.5481 49.40218 10.13643       1.466765  9.660460       2.010164  10.67842       2.145037  583.8861 69.35830 613.2101 70.36851 -29.32397      98.80435 
1 1 1 8   10 19 o 322.0363 63.73418 3.475050       1.192342  4.767421       1.572511  1.727056       1.828816  395.5711 81.24021 248.5014 98.22531 147.0697       127.4684 
1 1 1 8   10 20 o 185.6481 59.54270 -0.8170558E-01 1.167916  0.3638030E-01  1.440990  -0.3077965     1.993900  177.7146 79.18165 193.5816 88.94717 -15.86700      119.0854 
1 1 1 8   11 0  o 1274.819 35.04202 41.32421       2.261363  40.98085       3.169169  41.68038       3.227735  1269.453 49.31113 1280.184 49.80144 -10.73022      70.08403 
1 1 1 8   11 1  o 586.8517 51.25798 7.946487       1.313449  11.09644       2.732533  7.000035       1.497831  652.5662 84.70793 521.1372 57.74155 131.4290       102.5160 
1 1 1 8   11 2  o 1762.285 49.74963 79.07581       4.162905  79.91476       7.297181  78.67105       5.068611  1766.605 81.58909 1757.965 56.95017 8.639526       99.49925 
1 1 1 8   11 3  o 2488.268 58.28108 156.6683       6.926765  163.9078       12.09848  153.1381       8.448487  2526.208 94.59714 2450.329 68.10374 75.87891       116.5622 
1 1 1 8   11 4  o 1455.731 37.52469 53.88348       2.765517  54.25016       3.920577  53.52035       3.901556  1460.666 53.01702 1450.795 53.11877 9.870728       75.04938 
1 1 1 8   11 5  o 577.3708 57.28418 8.784767       1.391895  8.884207       1.607582  8.486981       2.781924  588.4969 54.57771 566.2448 100.7332 22.25214       114.5684 
1 1 1 8   11 6  o 1288.510 48.93422 44.39468       2.928507  37.21082       5.022984  48.09404       3.604508  1202.041 83.04822 1374.978 51.78054 -172.9371      97.86844 
1 1 1 8   11 7  o 717.6676 44.26403 13.68898       1.508846  14.92323       1.916732  11.67796       2.446638  764.0471 49.82429 671.2881 73.17622 92.75903       88.52807 
1 1 1 8   11 8  o 794.8274 37.10868 16.18831       1.484495  16.34734       2.082319  16.02396       2.116894  798.9440 51.75937 790.7108 53.19009 8.233215       74.21736 
1 1 1 8   11 9  o 411.7494 71.75591 4.486628       1.441430  0.000000       0.000000  4.486628       1.441430  ?        ?        411.7494 71.75591 ?              ?        
1 1 1 8   11 10 o 589.9175 51.86433 9.107345       1.393192  9.159864       2.506871  9.083875       1.675819  587.1006 86.97118 592.7344 56.53005 -5.633789      103.7287 
1 1 1 8   11 11 o 747.9073 55.92775 15.49702       1.780689  16.38926       2.090049  13.13437       3.401066  797.7921 52.03161 698.0226 99.01699 99.76947       111.8555 
1 1 1 8   11 12 o 449.4331 46.94548 5.370852       1.027028  4.552498       1.434682  6.231008       1.470867  412.0416 71.35966 486.8246 61.01894 -74.78302      93.89095 
1 1 1 8   11 13 f 369.0620 63.61683 3.799763       1.177352  3.446679       1.609976  4.205639       1.726141  350.5719 90.19191 387.5522 89.74309 -36.98035      127.2337 
1 1 1 8   11 14 o 217.2216 62.46269 0.6420453      1.100612  1.156443       1.444162  -0.7068858E-01 1.699927  232.4863 88.53808 201.9568 88.13262 30.52956       124.9254 
1 1 1 8   11 15 o 503.9173 58.70727 6.882178       1.405622  8.217089       2.340082  6.128658       1.758137  537.9091 89.04382 469.9255 76.53349 67.98364       117.4145 
1 1 1 8   11 16 o 500.7657 49.35216 6.853976       1.208577  6.389143       1.598341  7.474580       1.846836  482.2601 67.29807 519.2712 72.20466 -37.01114      98.70432 
1 1 1 8   11 17 o 410.2407 59.19323 4.880846       1.182799  4.132286       1.572820  5.855257       1.794472  372.6821 85.21433 447.7993 82.18195 -75.11719      118.3865 
1 1 1 8   11 18 o 345.4839 64.75639 3.797143       1.152548  3.987590       1.590515  3.586565       1.672469  357.1851 88.42605 333.7828 94.62768 23.40231       129.5128 
1 1 1 8   11 19 o 158.2061 51.86512 -0.7110077     0.9979805 -0.3182113     1.352602  -1.180330      1.478501  164.4061 74.66839 152.0060 72.00414 12.40004       103.7302 
1 1 1 8   11 20 o 173.9322 56.04923 -0.2093209     1.082497  -0.9317976E-01 1.427571  -0.3664445     1.660448  171.7794 77.48762 176.0850 81.00452 -4.305573      112.0985 
1 1 1 8   12 0  o 3007.174 54.34874 231.1893       8.274255  230.0415       11.68947  232.3418       11.71369  2999.650 76.97340 3014.698 76.74789 -15.04761      108.6975 
1 1 1 8   12 1  o 323.0271 64.80423 2.605457       0.9892017 2.935262       2.040567  2.504144       1.130978  338.9923 106.6210 307.0619 73.69067 31.93045       129.6085 
1 1 1 8   12 2  o 1103.505 42.79763 29.30446       2.250781  36.63177       4.050085  26.03025       2.707354  1196.680 67.12106 1010.329 53.11603 186.3511       85.59526 
1 1 1 8   12 3  o 1999.769 52.70740 100.8905       5.021499  105.9228       8.824656  98.48081       6.106530  2033.242 85.72848 1966.297 61.34255 66.94519       105.4148 
1 1 1 8   12 4  o 1959.889 61.04892 98.78065       6.038628  92.23207       8.675610  104.9350       8.410385  1895.488 90.40559 2024.290 82.06530 -128.8015      122.0978 
1 1 1 8   12 5  o 751.7306 46.49051 14.35138       1.621461  14.06153       1.947581  15.00612       2.927095  741.5725 52.20821 761.8887 76.94006 -20.31622      92.98102 
1 1 1 8   12 6  o 1233.356 35.67834 38.74770       2.226770  39.94896       3.141037  37.53398       3.157283  1252.713 49.52652 1214.000 51.37021 38.71326       71.35667 
1 1 1 8   12 7  o 1062.820 43.40855 29.79581       2.199878  31.89116       2.762365  26.16282       3.637347  1118.704 48.77331 1006.936 71.82181 111.7679       86.81709 
1 1 1 8   12 8  o 444.7382 63.23247 5.170821       1.383638  0.000000       0.000000  5.170821       1.383638  ?        ?        444.7382 63.23247 ?              ?        
1 1 1 8   12 9  o 1035.457 36.45670 27.46675       1.906430  27.94672       2.663454  26.96250       2.729975  1045.648 50.31249 1025.266 52.77327 20.38232       72.91341 
1 1 1 8   12 10 o 440.7619 47.65263 5.127792       1.029196  5.178915       1.440815  5.074531       1.470650  443.3462 66.22192 438.1776 68.54015 5.168640       95.30527 
1 1 1 8   12 11 o 304.2734 55.52217 2.544296       0.8772806 1.878084       1.279322  3.135652       1.205308  267.7122 84.45212 340.8347 72.10192 -73.12247      111.0443 
1 1 1 8   12 12 o 273.8898 56.91821 2.064197       0.8658017 1.399948       1.322497  2.562433       1.145372  241.9325 85.95987 305.8471 74.62996 -63.91461      113.8364 
1 1 1 8   12 13 o 568.5333 44.42206 8.594028       1.256151  8.768329       1.754835  8.410860       1.798916  575.1802 61.20294 561.8864 64.40092 13.29376       88.84412 
1 1 1 8   12 14 o 750.5048 41.66758 14.94558       1.568041  14.13277       2.224233  15.74869       2.210918  728.9984 60.82100 772.0112 56.96978 -43.01282      83.33516 
1 1 1 8   12 15 o 324.3431 68.97076 3.148376       1.220349  2.693524       2.005949  3.415634       1.537627  306.2290 106.0907 342.4572 88.16249 -36.22818      137.9415 
1 1 1 8   12 16 o 311.0800 73.65622 2.270477       1.378697  5.017716       2.423995  0.9567581      1.676234  394.6694 114.5645 227.4905 92.60629 167.1789       147.3124 
1 1 1 8   12 17 o 253.4576 71.27953 1.681585       1.192649  1.925256       1.284287  0.1545846      3.214993  255.6777 84.93539 251.2375 114.4948 4.440231       142.5591 
1 1 1 8   12 18 o 207.4386 59.18093 0.7348146      1.003478  -0.1394860     1.364448  1.764815       1.480967  170.5267 76.43553 244.3504 90.37222 -73.82367      118.3619 
1 1 1 8   12 19 f 603.0690 58.05750 10.92809       1.644324  10.30917       2.028306  12.11474       2.808515  594.0191 68.71330 612.1189 93.60114 -18.09979      116.1150 
1 1 1 8   12 20 o 275.4438 73.17372 2.869598       1.437378  1.979375       2.287616  3.450329       1.847656  247.6330 105.0494 303.2546 101.8931 -55.62163      146.3474 
1 1 1 8   13 0  o 882.2767 51.38092 19.85954       2.285105  0.000000       0.000000  19.85954       2.285105  ?        ?        882.2767 51.38092 ?              ?        
1 1 1 8   13 1  o 481.6887 62.63634 5.607396       1.259673  7.142341       2.713461  5.185725       1.422211  516.9252 107.2009 446.4521 64.81674 70.47311       125.2727 
1 1 1 8   13 2  o 280.5796 51.29399 2.086883       0.7337053 2.102080       1.016517  2.070354       1.060086  281.5065 71.25919 279.6528 73.79987 1.853699       102.5880 
1 1 1 8   13 3  o 639.3491 37.75390 10.48415       1.209508  10.05703       1.723071  10.89903       1.698206  626.1913 54.90601 652.5070 51.83395 -26.31561      75.50780 
1 1 1 8   13 4  o 2671.254 62.82258 183.2328       7.974419  184.6085       13.93446  182.5628       9.724212  2671.271 103.0359 2671.237 71.90488 0.3442383E-01  125.6452 
1 1 1 8   13 5  o 1485.815 56.85249 57.02510       4.251991  59.95437       5.946397  53.96036       6.082356  1526.087 77.21579 1445.543 83.46583 80.54370       113.7050 
1 1 1 8   13 6  o 492.8770 55.52537 6.280318       1.361387  6.280318       1.361387  0.000000       0.000000  492.8770 55.52537 ?        ?        ?              ?        
1 1 1 8   13 7  o 1864.068 41.41700 88.98258       3.908548  89.42773       5.520461  88.53515       5.534609  1868.824 58.34763 1859.311 58.79648 9.513428       82.83400 
1 1 1 8   13 8  o 1040.059 43.71131 27.94861       2.212122  27.60556       3.617604  28.15350       2.795719  1032.453 69.61613 1047.665 52.88013 -15.21130      87.42262 
1 1 1 8   13 9  o 610.0320 50.98041 9.602295       1.408885  10.15395       2.602834  9.373683       1.675574  618.1260 85.45964 601.9379 55.61166 16.18817       101.9608 
1 1 1 8   13 10 o 231.2204 50.44189 1.058606       0.7678233 -0.2150943     1.050201  2.521320       1.125430  157.2132 68.92126 305.2277 73.67086 -148.0145      100.8838 
1 1 1 8   13 11 o 1183.844 48.19285 37.03268       2.652787  35.83704       4.721599  37.58419       3.206771  1160.886 80.84154 1206.801 52.48664 -45.91406      96.38570 
1 1 1 8   13 12 o 984.3818 53.71797 27.81126       2.326719  30.82093       2.813333  21.29717       4.138940  1090.560 50.95510 878.2032 94.58361 212.3572       107.4359 
1 1 1 8   13 13 o 896.1871 45.49715 21.21465       2.010215  20.57571       2.585086  22.19202       3.197241  883.1556 58.14194 909.2187 69.99628 -26.06311      90.99431 
1 1 1 8   13 14 o 284.5024 69.87803 2.178286       1.194203  2.480988       1.994028  2.008997       1.491205  298.5705 105.6082 270.4343 91.53500 28.13620       139.7561 
1 1 1 8   13 15 o 370.5937 57.73919 3.926009       1.067235  2.724236       1.448710  5.352196       1.578186  304.6450 88.60661 436.5423 74.05487 -131.8973      115.4784 
1 1 1 8   13 16 o 381.8409 74.40345 4.836050       1.453703  3.966516       2.695027  5.192860       1.726389  344.3030 122.6697 419.3788 84.23564 -75.07578      148.8069 
1 1 1 8   13 17 o 413.7278 79.00584 6.039947       1.545022  6.122663       1.733598  5.720587       3.406396  453.7886 78.28746 373.6669 137.2544 80.12167       158.0117 
1 1 1 8   13 18 o 551.9140 65.90175 8.988089       1.642079  12.19100       3.096219  7.734645       1.936919  598.4506 106.0762 505.3774 78.23046 93.07315       131.8035 
1 1 1 8   13 19 o 323.2123 77.04461 4.011213       1.584473  2.657229       2.344801  5.149025       2.149484  273.2902 110.1435 373.1343 107.7585 -99.84409      154.0892 
1 1 1 8   14 0  f 2757.649 105.1957 196.6867       14.68658  196.6867       14.68658  0.000000       0.000000  2757.649 105.1957 ?        ?        ?              ?        
1 1 1 8   14 1  o 1448.784 52.95870 53.53974       3.853092  57.23989       5.797486  50.61222       5.156799  1492.897 76.96734 1404.671 72.76347 88.22620       105.9174 
1 1 1 8   14 2  o 177.0450 47.54633 0.4557139      0.6197587 -0.7520474E-01 0.8772807 0.9846772      0.8756638 149.1840 64.21099 204.9059 70.13960 -55.72189      95.09267 
1 1 1 8   14 3  o 943.2915 42.54707 22.30685       1.958541  24.79519       3.262559  20.90491       2.448884  982.4915 65.97401 904.0916 53.74422 78.39996       85.09414 
1 1 1 8   14 4  o 918.6018 41.81398 21.36531       1.892036  20.35915       2.411285  22.97725       3.052024  891.7917 53.65718 945.4118 64.14468 -53.62006      83.62795 
1 1 1 8   14 5  o 1600.125 47.74508 64.75289       3.616737  68.48101       6.442091  63.03694       4.370525  1629.510 78.08833 1570.741 54.95984 58.76941       95.49017 
1 1 1 8   14 6  o 880.4527 50.46536 19.86302       2.240103  19.86302       2.240103  0.000000       0.000000  880.4527 50.46536 ?        ?        ?              ?        
1 1 1 8   14 7  o 386.0411 52.60796 3.930286       0.9709020 4.201785       1.561218  3.759068       1.239808  395.5501 80.69456 376.5321 67.51873 19.01797       105.2159 
1 1 1 8   14 8  o 608.7278 44.82375 9.636115       1.321282  9.603601       1.681451  9.688601       2.136330  609.4091 55.09519 608.0466 70.71912 1.362427       89.64750 
1 1 1 8   14 9  o 949.4667 36.79451 23.13406       1.758378  21.34354       2.411449  25.16701       2.569513  910.0992 52.56034 988.8342 51.50488 -78.73499      73.58901 
1 1 1 8   14 10 o 1020.778 36.48633 26.88052       1.881313  25.82970       2.644355  27.95753       2.677106  999.6295 52.43419 1041.927 50.75100 -42.29742      72.97266 
1 1 1 8   14 11 o 1010.431 49.75394 27.21625       2.347522  26.60673       4.130419  27.50708       2.853134  993.2080 82.90064 1027.655 55.03910 -34.44653      99.50789 
1 1 1 8   14 12 o 786.5165 53.27409 17.10168       1.843746  17.60285       2.180466  15.84439       3.453629  820.0666 52.79966 752.9665 92.54572 67.10010       106.5482 
1 1 1 8   14 13 o 228.3071 61.18198 1.165082       0.9764142 0.9261326      1.443544  1.366607       1.325688  220.7594 87.26514 235.8549 85.77724 -15.09554      122.3640 
1 1 1 8   14 14 o 238.9405 63.89985 1.256107       1.014553  1.866629       1.744529  0.9440899      1.247143  266.5038 98.17376 211.3773 81.82098 55.12656       127.7997 
1 1 1 8   14 15 o 326.7964 77.41928 2.980661       1.362577  4.428383       2.689810  2.480915       1.580351  364.6473 122.9384 288.9455 94.13351 75.70184       154.8386 
1 1 1 8   14 16 o 291.9553 66.23531 2.700495       1.264023  0.7196651      2.034266  3.946271       1.613260  226.8914 97.71760 357.0193 89.44126 -130.1279      132.4706 
1 1 1 8   14 17 o 244.7996 73.88708 0.2383093      1.179514  -0.4815578     1.273865  4.564876       3.122979  155.3233 71.26744 334.2758 129.4533 -178.9525      147.7742 
1 1 1 8   14 18 o 257.5295 67.67342 2.244523       1.216966  2.715187       1.358689  0.3349287      2.736749  288.1710 86.33591 226.8880 104.2347 61.28296       135.3468 
1 1 1 8   14 19 o 226.9404 63.23994 1.491967       1.097379  0.7929265      1.521540  2.249782       1.584213  198.8666 85.05209 255.0142 93.61250 -56.14754      126.4799 
1 1 1 8   15 0  o 1165.252 49.53163 35.82725       2.615221  32.68367       4.790506  37.16187       3.121388  1122.909 84.89324 1207.595 51.05552 -84.68640      99.06326 
1 1 1 8   15 1  o 1190.530 36.78251 36.13833       2.216848  36.67266       3.138864  35.60655       3.131344  1199.364 51.69372 1181.697 52.34090 17.66748       73.56501 
1 1 1 8   15 2  o 1088.072 36.11806 30.18962       1.989161  30.12699       2.782727  30.25506       2.844485  1086.998 50.56595 1089.146 51.58625 -2.147827      72.23611 
1 1 1 8   15 3  o 715.7822 41.49421 13.59673       1.432655  15.17456       1.868671  11.34688       2.231408  770.0087 48.17744 661.5557 67.57228 108.4531       82.98843 
1 1 1 8   15 4  o 677.9797 43.32713 11.76441       1.460018  11.01354       1.927602  12.77488       2.236135  653.1652 58.92677 702.7943 63.53422 -49.62903      86.65426 
1 1 1 8   15 5  o 1582.904 53.46498 64.81209       4.284061  64.60363       6.099855  65.01500       6.018126  1580.104 76.25182 1585.703 74.96452 -5.599121      106.9300 
1 1 1 8   15 6  o 1727.880 57.38048 76.62080       5.019512  0.000000       0.000000  76.62080       5.019512  ?        ?        1727.880 57.38048 ?              ?        
1 1 1 8   15 7  o 1669.710 56.61954 72.41665       4.772420  69.26717       6.460203  76.20037       7.080858  1630.999 78.23640 1708.422 81.86668 -77.42249      113.2391 
1 1 1 8   15 8  o 725.6365 39.03786 13.66106       1.418217  14.76148       1.992072  12.53008       2.019532  756.3001 52.34880 694.9729 57.92600 61.32721       78.07572 
1 1 1 8   15 9  o 219.3254 53.99378 1.143538       0.7311087 1.249037       1.102919  1.060841       0.9764770 227.1270 78.66752 211.5238 73.97794 15.60323       107.9876 
1 1 1 8   15 10 o 231.5348 54.14024 1.301510       0.7278123 1.779434       1.172884  1.002247       0.9281179 257.9759 80.78460 205.0938 72.10069 52.88206       108.2805 
1 1 1 8   15 11 o 398.7411 51.39474 4.394750       0.9918298 3.476103       1.399369  5.322086       1.405972  352.5147 80.21501 444.9676 64.27464 -92.45291      102.7895 
1 1 1 8   15 12 o 205.5352 55.05876 0.8299129      0.8366694 1.429340       1.084149  -0.5279992E-01 1.315619  232.7752 78.05183 178.2953 77.67741 54.47992       110.1175 
1 1 1 8   15 13 o 143.1239 48.79066 -1.385785      0.9197270 -6.187285      2.413235  -0.5698472     0.9948087 148.3054 74.36913 137.9423 63.17710 10.36310       97.58131 
1 1 1 8   15 14 o 344.6035 88.01634 3.502667       2.082554  1.561272       2.836388  5.773362       3.067524  279.4025 117.6620 409.8045 130.9319 -130.4020      176.0327 
1 1 1 8   15 15 o 394.0824 78.78223 5.170503       1.476860  5.223741       1.646039  4.950720       3.344473  421.8412 80.00125 366.3235 135.7437 55.51776       157.5645 
1 1 1 8   15 16 o 281.9315 61.94139 2.435477       1.002454  1.686125       1.353473  3.346065       1.491995  239.6394 86.74506 324.2237 88.44343 -84.58427      123.8828 
1 1 1 8   15 17 o 316.9111 62.71415 3.353938       1.053568  3.657541       1.398215  2.955119       1.602540  339.2845 82.25377 294.5378 94.69201 44.74677       125.4283 
1 1 1 8   15 18 o 324.7033 73.55698 3.829884       1.345169  3.354801       1.727045  4.562623       2.144833  305.5692 98.30825 343.8374 109.4441 -38.26819      147.1140 
1 1 1 8   15 19 o 232.9504 66.09428 1.874654       1.226691  0.9504235      2.158606  2.315491       1.490810  213.0551 95.77135 252.8458 91.11349 -39.79066      132.1886 
1 1 1 8   16 0  o 1198.840 49.97263 37.71042       2.736648  35.53969       4.991858  38.64317       3.272200  1167.857 85.01197 1229.824 52.55492 -61.96655      99.94526 
1 1 1 8   16 1  o 321.4610 44.90569 2.683255       0.7021156 1.965154       0.9327075 3.622303       1.066588  271.2164 68.04201 371.7056 58.62054 -100.4892      89.81137 
1 1 1 8   16 2  o 667.5751 40.35908 11.83865       1.303208  9.731422       1.995991  13.40445       1.720559  611.9208 65.44343 723.2294 47.25017 -111.3087      80.71815 
1 1 1 8   16 3  o 562.7086 38.95374 8.185654       1.095239  8.209358       1.534012  8.161007       1.564234  563.6874 54.43054 561.7299 55.73948 1.957581       77.90747 
1 1 1 8   16 4  o 1418.492 44.33644 51.23912       3.071425  49.78368       3.841233  53.81929       5.114423  1393.701 54.43993 1443.283 69.99411 -49.58215      88.67289 
1 1 1 8   16 5  o 1330.365 44.09352 45.31896       2.855027  44.42785       3.572487  46.89407       4.749638  1316.241 53.61070 1344.488 70.02035 -28.24670      88.18705 
1 1 1 8   16 6  o 1654.279 76.93775 71.32864       6.443648  0.000000       0.000000  71.32864       6.443648  ?        ?        1654.279 76.93775 ?              ?        
1 1 1 8   16 7  o 1202.104 77.72897 37.98436       4.705191  37.98436       4.705191  0.000000       0.000000  1202.104 77.72897 ?        ?        ?              ?        
1 1 1 8   16 8  o 1013.824 43.00642 26.34951       2.142070  28.61391       3.492895  24.98452       2.711903  1045.641 66.32441 982.0068 54.76571 63.63403       86.01285 
1 1 1 8   16 9  f 461.9400 44.96408 5.707653       1.015074  4.991398       1.442128  6.410950       1.429025  430.8804 68.39445 492.9996 58.38898 -62.11917      89.92816 
1 1 1 8   16 10 o 322.5320 63.65642 3.048805       1.041131  2.370363       1.959135  3.315810       1.229044  298.2851 104.7599 346.7788 72.34584 -48.49368      127.3128 
1 1 1 8   16 11 o 467.9668 64.54668 6.447344       1.322752  5.819622       2.509596  6.688816       1.556515  437.6421 112.6126 498.2914 63.11503 -60.64929      129.0934 
1 1 1 8   16 12 o 753.6223 88.44006 16.18700       3.310173  16.18700       3.310173  0.000000       0.000000  753.6223 88.44006 ?        ?        ?              ?        
1 1 1 8   16 13 o 655.0740 81.02625 15.08863       2.350452  19.13400       2.972504  8.338984       3.839583  831.3446 71.31528 478.8034 145.5168 352.5412       162.0525 
1 1 1 8   16 14 o 150.1533 48.41982 -0.4987538     0.8123684 -0.4838231     1.104213  -0.5163700     1.199407  147.2383 67.09995 153.0683 69.82487 -5.830017      96.83964 
1 1 1 8   16 15 o 183.4356 53.89743 0.5226751E-01  0.9067642 -1.136574      1.241521  1.411493       1.327510  139.0582 65.90312 227.8130 85.30245 -88.75476      107.7949 
1 1 1 8   16 16 o 337.3727 64.45841 3.762165       1.124037  3.623439       1.525995  3.926712       1.661950  332.4258 88.93240 342.3197 93.33047 -9.893921      128.9168 
1 1 1 8   16 17 o 693.3477 57.87192 14.72056       1.845120  16.19532       3.286944  14.04204       2.229537  692.8817 96.30634 693.8137 64.20066 -0.9319458     115.7438 
1 1 1 8   16 18 o 321.0256 100.4881 3.910343       1.814999  3.910343       1.814999  0.000000       0.000000  321.0256 100.4881 ?        ?        ?              ?        
1 1 1 8   17 0  o 715.6990 36.33859 13.18175       1.307250  12.72373       1.849749  13.63875       1.847715  702.9985 52.34774 728.3994 50.41515 -25.40094      72.67718 
1 1 1 8   17 1  o 804.3978 36.62964 16.67440       1.480138  17.50225       2.061433  15.79344       2.126547  825.6664 49.54432 783.1293 53.96558 42.53711       73.25928 
1 1 1 8   17 2  o 491.4974 35.55148 6.235797       0.8689785 5.589154       1.202871  6.941656       1.256741  464.2536 52.07530 518.7412 48.41273 -54.48758      71.10295 
1 1 1 8   17 3  o 644.6564 58.43236 11.50060       1.737490  9.336120       2.829125  12.81137       2.201601  587.0055 98.70017 702.3074 62.57508 -115.3019      116.8647 
1 1 1 8   17 4  o 426.3177 45.15443 4.827088       0.9365382 5.215966       1.283568  4.384374       1.369539  446.5776 58.15187 406.0577 69.09451 40.51990       90.30887 
1 1 1 8   17 5  o 1105.013 44.41235 32.04033       2.365510  30.21609       3.907226  33.09586       2.972096  1074.955 72.21428 1135.072 51.71968 -60.11658      88.82470 
1 1 1 8   17 6  o 1039.422 36.90509 27.81031       1.924702  23.74392       2.659420  32.28291       2.789086  957.9710 55.06575 1120.872 49.14984 -162.9013      73.81019 
1 1 1 8   17 7  o 811.9753 53.06916 17.91566       1.864811  16.60259       3.601574  18.39663       2.179751  781.0470 92.90430 842.9036 51.32380 -61.85657      106.1383 
1 1 1 8   17 8  o 433.3373 85.75823 5.567736       1.965197  6.162857       2.749902  4.946552       2.809473  457.4050 117.9776 409.2696 124.4957 48.13538       171.5165 
1 1 1 8   17 9  o 485.1776 62.86013 6.302013       1.507748  6.302013       1.507748  0.000000       0.000000  485.1776 62.86013 ?        ?        ?              ?        
1 1 1 8   17 10 o 262.7770 73.51182 1.412313       1.208219  1.372085       1.337195  1.591187       2.819726  236.5788 86.13218 288.9753 119.1520 -52.39656      147.0236 
1 1 1 8   17 11 o 269.8596 56.98194 2.080578       0.8957036 1.084041       1.342872  2.879269       1.202202  221.6748 85.14771 318.0445 75.74718 -96.36977      113.9639 
1 1 1 8   17 12 o 245.3742 63.96785 1.407581       0.9206352 2.040390       1.912724  1.216773       1.050301  274.0153 102.4338 216.7332 76.64759 57.28209       127.9357 
1 1 1 8   17 13 o 592.6555 81.13693 12.40188       2.171318  14.35751       2.661140  8.506711       3.755674  711.3315 75.02625 473.9796 143.8884 237.3519       162.2739 
1 1 1 8   17 14 o 457.9750 53.23018 6.176283       1.179683  6.920053       1.636912  5.372549       1.701617  493.3835 67.28721 422.5666 82.49992 70.81689       106.4604 
1 1 1 8   17 15 o 482.5535 54.36391 7.052558       1.280143  7.467801       1.794163  6.621941       1.827075  501.1193 72.85287 463.9878 80.71057 37.13147       108.7278 
1 1 1 8   17 16 o 206.6882 54.84929 0.7925749      0.8893721 2.344646       1.314990  -0.5159322     1.207410  265.7149 85.81371 147.6616 68.33582 118.0533       109.6986 
1 1 1 8   17 17 o 418.6167 74.86518 6.382873       1.444438  7.273001       2.931625  6.097508       1.659903  398.5181 128.0698 438.7153 77.57131 -40.19720      149.7304 
1 1 1 8   17 18 o 292.9518 81.78641 3.575112       1.521561  3.016801       1.678247  6.153234       3.606361  275.7900 96.95399 310.1135 131.7421 -34.32352      163.5728 
1 1 1 8   18 0  f 466.8108 66.66099 6.085123       0.9811711 5.588181       2.980767  6.145510       1.039077  444.9576 126.3929 488.6640 42.42135 -43.70645      133.3220 
1 1 1 8   18 1  o 843.5018 35.72886 18.34401       1.515617  18.87174       2.098256  17.76828       2.191602  856.7805 48.57309 830.2231 52.41049 26.55743       71.45771 
1 1 1 8   18 2  o 1355.766 54.38535 48.32657       3.686743  46.89611       5.526446  49.47367       4.948914  1334.285 82.21167 1377.246 71.22013 -42.96094      108.7707 
1 1 1 8   18 3  o 825.0229 52.52761 17.47108       2.081168  19.47070       3.551040  16.42492       2.568523  856.5173 82.92936 793.5284 64.49281 62.98889       105.0552 
1 1 1 8   18 4  o 348.1542 69.17464 3.326756       1.038745  2.863309       2.686609  3.408213       1.126339  339.1776 122.3005 357.1307 64.67698 -17.95313      138.3493 
1 1 1 8   18 5  o 145.7624 59.10460 0.2426538      0.6796440 0.000000       0.000000  0.2426538      0.6796440 ?        ?        145.7624 59.10460 ?              ?        
1 1 1 8   18 6  o 962.0013 51.75796 25.99113       2.215092  21.00764       3.961542  28.25791       2.671789  878.3209 90.37971 1045.682 50.46833 -167.3608      103.5159 
1 1 1 8   18 7  o 979.7359 59.76629 26.12456       2.933635  27.30511       4.187337  24.98650       4.111282  1002.606 83.24722 956.8657 85.77843 45.74036       119.5326 
1 1 1 8   18 8  o 413.7398 74.19635 5.586132       1.312028  5.960280       1.424692  3.497244       3.366329  471.8219 61.07640 355.6577 135.2408 116.1642       148.3927 
1 1 1 8   18 9  o 643.1187 39.13424 10.98964       1.257108  9.990968       1.775118  11.99440       1.780532  612.1593 57.96736 674.0780 52.59031 -61.91870      78.26849 
1 1 1 8   18 10 o 594.4742 39.15303 9.444802       1.164089  9.733285       1.641006  9.152588       1.651585  604.3161 54.21331 584.6323 56.50449 19.68384       78.30607 
1 1 1 8   18 11 o 417.6631 49.88580 4.893706       1.007475  4.836709       1.332938  4.969657       1.538674  417.7252 65.15434 417.6010 75.55981 0.1242371      99.77160 
1 1 1 8   18 12 o 205.2054 76.91039 1.017959       1.079659  0.000000       0.000000  1.017959       1.079659  ?        ?        205.2054 76.91039 ?              ?        
1 1 1 8   18 13 o 637.8339 69.57594 12.08158       1.990695  11.05211       2.354624  14.66138       3.727409  615.3330 77.28886 660.3348 115.7138 -45.00183      139.1519 
1 1 1 8   18 14 o 433.7233 55.36622 5.398480       1.144692  8.221089       1.847430  3.639523       1.458378  529.1014 70.73865 338.3453 85.19224 190.7561       110.7324 
1 1 1 8   18 15 o 234.9485 59.22450 1.732180       0.8817263 1.939547       1.345057  1.575923       1.167589  244.1763 86.69711 225.7207 80.70797 18.45557       118.4490 
1 1 1 8   18 16 f 139.1281 46.04509 -0.7571843     0.8013853 -0.1208542     1.229728  -1.226905      1.056544  157.9817 71.53035 120.2745 58.00008 37.70719       92.09017 
1 1 1 8   18 17 o 273.9250 75.21474 3.100898       1.436093  3.454539       2.672160  2.957274       1.702924  272.7625 114.5002 275.0874 97.56402 -2.324951      150.4295 
1 1 1 8   19 0  o 267.9642 69.30497 0.8137360      0.6982191 3.576441       2.708737  0.6171089      0.7226388 364.2940 123.3675 171.6344 63.19156 192.6596       138.6099 
1 1 1 8   19 1  o 399.2593 47.01805 4.148777       0.9321757 0.000000       0.000000  4.148777       0.9321757 ?        ?        399.2593 47.01805 ?              ?        
1 1 1 8   19 2  o 916.3386 53.97482 22.32995       2.394164  21.95615       3.900739  22.55588       3.032571  904.4789 86.22960 928.1982 64.94291 -23.71936      107.9496 
1 1 1 8   19 3  o 491.5854 83.76295 6.995558       2.060060  6.770350       2.879306  7.231746       2.948663  483.3119 118.5677 499.8590 118.3496 -16.54709      167.5259 
1 1 1 8   19 4  o 520.9489 120.3776 7.948360       3.111094  0.000000       0.000000  7.948360       3.111094  ?        ?        520.9489 120.3776 ?              ?        
1 1 1 8   19 5  o 882.8602 62.67144 21.00749       2.637307  14.26274       3.512620  29.72222       3.992778  712.4911 100.1443 1053.229 75.37879 -340.7382      125.3429 
1 1 1 8   19 6  o 1078.208 38.55382 30.42851       2.098676  30.62365       2.912286  30.21770       3.026988  1083.327 53.09953 1073.089 55.91090 10.23804       77.10764 
1 1 1 8   19 7  o 542.1487 67.16293 8.813704       1.447420  7.661045       3.050137  9.148713       1.644361  496.9616 122.1062 587.3358 55.97771 -90.37424      134.3259 
1 1 1 8   19 8  o 690.5891 38.51455 12.65810       1.334935  12.64469       1.917704  12.67071       1.859412  689.6942 55.38858 691.4841 53.53119 -1.789856      77.02910 
1 1 1 8   19 9  o 351.1101 50.28787 3.465749       0.8622271 3.706358       1.260565  3.254207       1.181973  362.7713 71.17773 339.4489 71.05779 23.32239       100.5757 
1 1 1 8   19 10 o 398.3741 49.42276 4.489606       0.9577290 4.226520       1.384528  4.730999       1.326220  384.6687 73.77781 412.0794 65.78201 -27.41074      98.84553 
1 1 1 8   19 11 o 449.9437 49.80747 5.769705       1.086811  5.926637       1.457251  5.573018       1.631421  460.9900 64.18053 438.8974 76.18396 22.09259       99.61494 
1 1 1 8   19 12 o 407.0222 53.51105 4.801966       1.042057  5.246953       1.667985  4.517107       1.334546  417.9514 81.75695 396.0929 69.06180 21.85843       107.0221 
1 1 1 8   19 13 o 188.5160 49.78339 0.5374429      0.7177052 1.781849       1.086645  -0.4254492     0.9558628 241.9473 77.99448 135.0847 61.89027 106.8626       99.56679 
1 1 1 8   19 14 o 283.3361 61.22600 2.691475       0.9632797 2.413813       1.349335  2.980057       1.375612  268.2933 86.95646 298.3788 86.21523 -30.08557      122.4520 
1 1 1 8   19 15 o 183.1679 54.61155 0.6556256      0.8779251 0.2311537      1.349648  0.9669728      1.155895  173.4085 76.98256 192.9274 77.48142 -19.51897      109.2231 
1 1 1 8   19 16 o 165.3112 52.43793 0.1561998      0.8475143 0.2402653      1.541028  0.1197476      1.014760  178.8106 80.59763 151.8118 67.10417 26.99884       104.8759 
1 1 1 8   19 17 o 271.4557 71.20072 3.346262       1.350941  2.696108       2.201745  3.738819       1.710844  244.4224 103.3377 298.4889 97.97699 -54.06645      142.4014 
1 1 1 8   20 0  o 445.4777 65.09500 4.259984       0.8510081 7.382775       3.057626  3.997768       0.8860168 499.5992 121.9535 391.3562 45.57176 108.2430       130.1900 
1 1 1 8   20 1  o 1093.815 81.42723 32.25108       4.476875  32.25108       4.476875  0.000000       0.000000  1093.815 81.42723 ?        ?        ?              ?        
1 1 1 8   20 2  o 509.4932 75.76364 7.180249       1.938494  3.827049       2.532070  11.92868       3.013151  364.3846 119.1747 654.6019 93.58368 -290.2173      151.5273 
1 1 1 8   20 3  o 154.3420 59.91805 0.4162245      0.6703165 0.000000       0.000000  0.4162245      0.6703165 ?        ?        154.3420 59.91805 ?              ?        
1 1 1 8   20 4  o 371.2049 60.78897 3.716443       1.102855  0.000000       0.000000  3.716443       1.102855  ?        ?        371.2049 60.78897 ?              ?        
1 1 1 8   20 5  f 342.0552 84.84420 3.306652       1.779558  2.804117       2.265669  4.115958       2.875209  316.2699 112.4966 367.8405 127.0381 -51.57062      169.6884 
1 1 1 8   20 6  o 279.6876 56.50383 2.631222       0.9302244 -0.8862638     2.288857  3.327166       1.018098  209.7465 95.97729 349.6287 59.65813 -139.8822      113.0077 
1 1 1 8   20 7  o 263.1606 64.44441 1.953278       0.8925046 0.4994623      2.613303  2.145238       0.9496010 250.4266 109.2795 275.8947 68.33974 -25.46808      128.8888 
1 1 1 8   20 8  o 426.9361 68.97456 6.548875       1.280658  3.525682       2.935957  7.259257       1.423190  334.5925 126.5234 519.2797 54.97075 -184.6873      137.9491 
1 1 1 8   20 9  o 566.8273 71.23990 10.46947       1.569137  10.97490       1.776495  8.675635       3.346767  637.0693 55.63820 496.5852 131.1674 140.4842       142.4798 
1 1 1 8   20 10 o 810.3915 43.37984 17.80489       1.736370  16.57871       2.229992  19.69309       2.767272  779.9783 56.86424 840.8047 65.52633 -60.82642      86.75968 
1 1 1 8   20 11 o 199.1494 51.02576 0.9897436      0.7208256 0.1020800      1.152295  1.560423       0.9239231 167.0328 72.73556 231.2659 71.58247 -64.23308      102.0515 
1 1 1 8   20 12 o 954.0875 38.48640 25.19643       1.843577  27.71876       2.618258  22.71622       2.596303  1005.675 51.59836 902.5003 57.11762 103.1744       76.97281 
1 1 1 8   20 13 o 316.8899 62.54279 4.156539       1.244054  0.4435239      2.808854  5.062646       1.387572  224.5539 104.0290 409.2258 69.45773 -184.6719      125.0856 
1 1 1 8   20 14 o 221.8862 66.62787 1.354968       1.081366  1.334063       1.173821  1.472209       2.779831  209.2059 79.78618 234.5665 106.7298 -25.36066      133.2557 
1 1 1 8   20 15 o 327.0359 60.95570 3.717770       1.066834  5.250459       1.594429  2.475376       1.435515  394.4358 82.49701 259.6359 89.75874 134.7999       121.9114 
1 1 1 8   20 16 o 231.3664 63.18884 2.026374       1.058653  2.327297       1.481176  1.712100       1.513676  244.2057 90.36670 218.5271 88.34690 25.67857       126.3777 
1 1 1 8   21 0  o 332.7672 63.21107 3.883325       1.215151  -0.7373488     2.858585  4.902434       1.342482  240.0241 108.8336 425.5103 64.32577 -185.4862      126.4221 
1 1 1 8   21 1  o 542.8538 61.64778 7.993219       1.055396  8.650346       3.058863  7.904421       1.124445  533.9214 116.4417 551.7862 40.53540 -17.86475      123.2956 
1 1 1 8   21 2  o 624.6953 42.27111 10.15174       1.329021  0.000000       0.000000  10.15174       1.329021  ?        ?        624.6953 42.27111 ?              ?        
1 1 1 8   21 3  o 640.4946 98.51909 11.94365       3.092261  0.000000       0.000000  11.94365       3.092261  ?        ?        640.4946 98.51909 ?              ?        
1 1 1 8   21 4  o 518.4508 84.36191 8.685326       2.256448  11.99186       3.184239  5.350144       3.198004  635.5066 102.4533 401.3950 134.0561 234.1116       168.7238 
1 1 1 8   21 5  o 300.0515 78.67331 2.266533       1.824431  4.191949       2.345335  -0.6840608     2.903336  363.7038 114.2921 236.3992 108.1447 127.3046       157.3466 
1 1 1 8   21 6  o 434.3998 57.33860 5.127968       1.230197  0.000000       0.000000  5.127968       1.230197  ?        ?        434.3998 57.33860 ?              ?        
1 1 1 8   21 7  o 788.6808 48.73915 16.63596       1.712301  18.85005       3.336154  15.84409       1.995141  807.5480 82.77007 769.8136 51.48919 37.73438       97.47831 
1 1 1 8   21 8  o 310.2576 86.55678 2.918746       2.125996  4.395893       2.839415  1.034021       3.207312  352.5125 125.8790 268.0027 118.8393 84.50989       173.1136 
1 1 1 8   21 9  o 252.4850 73.92203 1.257088       0.9662980 1.147268       1.006930  2.536067       3.436284  207.7799 74.88017 297.1902 127.4787 -89.41032      147.8441 
1 1 1 8   21 10 o 362.3364 51.86104 3.926113       0.9183278 4.687267       1.296523  3.159798       1.300912  403.9361 65.65382 320.7366 80.29847 83.19946       103.7221 
1 1 1 8   21 11 o 428.6994 52.58491 5.431954       1.078554  6.146724       1.736398  4.982944       1.376241  446.5460 79.73203 410.8529 68.58202 35.69308       105.1698 
1 1 1 8   21 12 o 330.2291 56.46822 3.544079       0.9400258 3.016471       1.323123  4.081816       1.335762  300.5384 83.80504 359.9199 75.70571 -59.38144      112.9364 
1 1 1 8   21 13 o 326.6703 72.91800 4.214134       1.268032  4.551587       2.786514  4.126004       1.424018  302.8903 120.7633 350.4503 81.75800 -47.56003      145.8360 
1 1 1 8   21 14 o 216.4028 67.00346 1.366005       1.200391  1.491218       1.284283  0.5004320      3.376661  213.3697 82.90822 219.4358 105.2810 -6.066116      134.0069 
1 1 1 8   21 15 o 166.5915 53.21598 0.1939331      0.9678426 -0.2575929     1.439993  0.5659688      1.307108  158.1174 73.66912 175.0655 76.81550 -16.94807      106.4320 
1 1 1 8   22 0  o 600.0533 64.22085 10.79462       1.252575  9.764108       3.305586  10.96739       1.353511  552.0476 121.5623 648.0591 41.47127 -96.01147      128.4417 
1 1 1 8   22 1  o 528.6539 54.66899 7.490136       1.442037  0.000000       0.000000  7.490136       1.442037  ?        ?        528.6539 54.66899 ?              ?        
1 1 1 8   22 2  o 918.1140 53.05653 22.43186       2.455637  0.000000       0.000000  22.43186       2.455637  ?        ?        918.1140 53.05653 ?              ?        
1 1 1 8   22 3  o 836.8627 65.89128 20.52169       2.734344  18.53162       3.729754  22.83411       4.020484  790.6204 95.08829 883.1049 91.24068 -92.48456      131.7826 
1 1 1 8   22 4  o 369.8844 91.46723 4.501071       2.222575  6.844691       3.265346  2.478036       3.033803  437.1306 134.4510 302.6382 124.0482 134.4924       182.9345 
1 1 1 8   22 5  o 501.8474 77.38122 7.276410       1.914485  4.307951       2.361511  12.96841       3.270070  358.8170 114.9058 644.8777 103.6729 -286.0607      154.7624 
1 1 1 8   22 6  o 540.1284 59.18991 8.170804       1.304668  9.487744       2.784268  7.800284       1.476841  545.3442 104.6515 534.9125 55.33395 10.43170       118.3798 
1 1 1 8   22 7  o 425.2771 74.80898 6.316192       1.369707  6.513336       1.502916  5.349632       3.327799  481.6736 63.15244 368.8805 135.6367 112.7932       149.6180 
1 1 1 8   22 8  o 503.9272 42.09056 7.073553       1.045140  8.141335       1.519168  6.114025       1.440102  542.8519 56.08499 465.0025 62.77686 77.84933       84.18111 
1 1 1 8   22 9  o 299.3152 74.66975 2.728943       1.127774  2.728943       1.127774  0.000000       0.000000  299.3152 74.66975 ?        ?        ?              ?        
1 1 1 8   22 10 o 255.9979 56.50883 2.109367       0.8267431 1.707040       1.243726  2.427885       1.106629  234.2012 83.34479 277.7946 76.33243 -43.59340      113.0177 
1 1 1 8   22 11 o 136.8332 42.82262 -0.8572187E-01 0.6038871 -0.5461500     0.8863601 0.3131543      0.8249892 123.4955 57.62499 150.1709 63.35984 -26.67540      85.64525 
1 1 1 8   22 12 o 157.4350 48.48988 0.2727599      0.7260283 0.4049490      1.031833  0.1431391      1.021760  162.4703 69.77756 152.3997 67.35107 10.07057       96.97976 
1 1 1 8   22 13 o 171.9133 51.00797 0.6579043      0.7493070 0.7271258      1.078300  0.5932657      1.041993  175.2560 73.09000 168.5707 71.16953 6.685257       102.0159 
1 1 1 8   22 14 o 181.7434 60.50483 0.3475728      1.113231  0.4978824      1.180949  -0.8514427     3.335418  167.7527 73.32507 195.7341 96.26407 -27.98140      121.0097 
1 1 1 8   22 15 o 210.9799 52.99120 0.9558257      0.9924177 -1.912006      1.449218  3.488243       1.361835  125.7775 62.15799 296.1823 85.84086 -170.4047      105.9824 
1 1 1 8   23 0  o 138.8732 49.69464 0.4515395      0.4427498 0.000000       0.000000  0.4515395      0.4427498 ?        ?        138.8732 49.69464 ?              ?        
1 1 1 8   23 1  o 222.5692 50.19553 1.367848       0.5521217 0.000000       0.000000  1.367848       0.5521217 ?        ?        222.5692 50.19553 ?              ?        
1 1 1 8   23 2  o 184.2064 56.71989 0.5372364      0.4818856 -1.076244      2.706008  0.5900796      0.4897132 215.4545 100.5854 152.9583 52.45144 62.49620       113.4398 
1 1 1 8   23 3  o 216.5920 70.82494 -1.124891      1.902586  -3.134883      2.763245  0.6869614      2.623517  188.6370 91.64816 244.5470 108.0061 -55.91000      141.6499 
1 1 1 8   23 4  o 188.8410 64.36125 -2.108304      1.690272  -2.072659      2.976848  -2.125264      2.053388  208.3362 99.66291 169.3457 81.46648 38.99048       128.7225 
1 1 1 8   23 5  o 216.7918 68.66425 0.1273751      1.558995  -0.4144079     2.151180  0.7267013      2.262537  202.2016 92.71606 231.3819 101.3057 -29.18028      137.3285 
1 1 1 8   23 6  o 310.8331 79.95840 3.307199       1.588860  2.881689       2.008840  4.018130       2.596597  292.8317 105.7290 328.8346 119.9782 -36.00293      159.9168 
1 1 1 8   23 7  o 212.6239 64.26778 0.5763832      0.5982050 2.431069       2.664943  0.4779712      0.6138706 275.7211 114.9387 149.5267 57.53682 126.1944       128.5356 
1 1 1 8   23 8  o 226.3662 49.93620 1.452636       0.6455992 2.155773       1.005619  0.9596499      0.8420364 264.5359 72.79680 188.1965 68.37486 76.33946       99.87240 
1 1 1 8   23 9  o 137.8710 45.23609 -0.2003038     0.6298584 -2.836350      1.846876  0.1466429      0.6700274 143.0270 70.58734 132.7151 56.59190 10.31189       90.47218 
1 1 1 8   23 10 o 146.1861 42.35120 0.4873318E-01  0.5924487 -1.149192      0.8969410 0.9758759      0.7890823 108.9641 52.76718 183.4081 66.25800 -74.44408      84.70241 
1 1 1 8   23 11 o 349.1754 52.68545 4.001878       0.9020472 3.660412       1.232066  4.396379       1.324296  332.0112 75.06116 366.3395 73.95166 -34.32831      105.3709 
1 1 1 8   23 12 f 241.4413 56.70105 2.097689       0.8309692 2.603980       1.173707  1.588868       1.176635  269.3917 80.13838 213.4910 80.23637 55.90070       113.4021 
1 1 1 8   23 13 o 130.1459 43.00590 -0.4100431     0.7020720 -0.3854133     0.9728193 -0.4368147     1.014235  129.5617 60.42691 130.7301 61.20963 -1.168396      86.01180 
1 1 1 8   23 14 o 170.4999 52.17257 0.5776130      0.8642044 -0.2400960     1.191255  1.486076       1.255623  141.9978 66.43799 199.0019 80.46056 -57.00409      104.3451 
1 1 1 8   24 0  o 151.4843 47.96240 -0.5307642E-02 0.6639670 -1.595781      1.654259  0.3001142      0.7249206 155.6192 74.40333 147.3494 60.54512 8.269791       95.92480 
1 1 1 8   24 1  o 427.7125 67.87604 7.039680       1.051442  4.120471       3.140400  7.408235       1.115843  328.2237 129.0397 527.2014 42.15909 -198.9778      135.7521 
1 1 1 8   24 2  o 420.9578 73.62218 5.473196       1.241305  6.924295       3.133906  5.203176       1.351871  415.4120 132.3006 426.5035 64.63316 -11.09143      147.2444 
1 1 1 8   24 3  o 232.5090 75.87605 -0.4875491     2.184018  1.685358       2.991798  -2.966579      3.195601  264.4432 116.1191 200.5748 97.69883 63.86839       151.7521 
1 1 1 8   24 4  o 267.0146 79.12947 2.127173       1.790411  2.417766       2.687680  1.895340       2.400616  275.4159 115.1719 258.6132 108.5419 16.80267       158.2589 
1 1 1 8   24 5  o 358.9964 82.83793 5.093961       1.888786  6.953348       2.593790  2.994943       2.755866  430.7164 116.2483 287.2764 118.0458 143.4400       165.6759 
1 1 1 8   24 6  o 389.4147 81.77811 5.750795       1.954088  2.677459       2.612466  9.654118       2.944169  273.6668 113.9181 505.1627 117.3597 -231.4958      163.5562 
1 1 1 8   24 7  o 153.2284 52.57237 -0.1499408     0.4253532 0.5549888      2.221673  -0.1767636     0.4333701 212.3806 96.15430 94.07613 42.54135 118.3045       105.1447 
1 1 1 8   24 8  o 198.0861 71.06214 1.182895       0.9058888 1.182895       0.9058888 0.000000       0.000000  198.0861 71.06214 ?        ?        ?              ?        
1 1 1 8   24 9  o 238.2147 73.35947 1.894447       0.9717653 0.000000       0.000000  1.894447       0.9717653 ?        ?        238.2147 73.35947 ?              ?        
1 1 1 8   24 10 o 146.8832 52.23940 -0.5920226     0.7060262 -0.5475605     0.7270550 -1.327463      2.956963  108.0310 50.96757 185.7355 91.20376 -77.70454      104.4788 
1 1 1 8   24 11 o 278.0163 53.28085 2.698989       0.8183739 1.659776       1.116342  3.906304       1.203249  214.8477 78.62565 341.1849 71.92637 -126.3372      106.5617 
1 1 1 8   24 12 o 277.2270 58.00226 2.932622       0.8760648 3.216444       1.241485  2.651114       1.236416  293.3871 80.94579 261.0669 83.09530 32.32025       116.0045 
1 1 1 8   24 13 o 174.5284 51.84585 0.8921626      0.7870076 0.4400065      1.077333  1.409574       1.152455  155.2122 68.84785 193.8446 77.53671 -38.63246      103.6917 
1 1 1 8   25 0  o 274.2228 57.95568 2.395239       0.8648642 2.578656       1.274224  2.238563       1.177678  282.8899 83.33534 265.5557 80.56465 17.33420       115.9114 
1 1 1 8   25 1  o 242.9631 65.29542 1.173828       0.5439202 3.254932       2.768237  1.090256       0.5547338 291.0103 118.7972 194.9159 54.23281 96.09441       130.5908 
1 1 1 8   25 2  o 264.2956 82.99916 1.600754       2.194671  -0.1426177     2.808669  4.334146       3.516870  218.6919 102.2240 309.8993 130.7887 -91.20740      165.9983 
1 1 1 8   25 3  o 240.0057 78.62562 0.7468610      2.290286  1.736473       3.201501  -0.2904521     3.277753  254.7880 115.3837 225.2234 106.8389 29.56462       157.2512 
1 1 1 8   25 4  o 151.1495 74.94463 -3.450078      2.171450  0.000000       0.000000  -3.450078      2.171450  ?        ?        151.1495 74.94463 ?              ?        
1 1 1 8   25 5  o 270.1229 79.25646 2.883775       1.792157  2.040349       2.448716  3.856678       2.629965  246.2426 106.6275 294.0032 117.2899 -47.76062      158.5129 
1 1 1 8   25 6  o 203.8159 66.75665 0.2672921      1.666120  1.157405       2.261671  -0.7890174     2.463782  218.5595 98.15565 189.0723 90.50564 29.48720       133.5133 
1 1 1 8   25 7  o 325.9856 74.62878 3.365103       1.034596  7.261519       3.003172  2.840400       1.102057  360.4845 129.3802 291.4867 74.42171 68.99774       149.2576 
1 1 1 8   25 8  o 369.8482 136.7555 9.056540       3.390898  9.056540       3.390898  0.000000       0.000000  369.8482 136.7555 ?        ?        ?              ?        
1 1 1 8   25 9  o 261.3219 77.79899 2.484430       1.105858  0.000000       0.000000  2.484430       1.105858  ?        ?        261.3219 77.79899 ?              ?        
1 1 1 8   25 10 o 168.1470 57.50311 0.1816512      0.7989463 0.1723375      0.8217425 0.3425658      3.415640  137.3110 60.55566 198.9831 97.77239 -61.67213      115.0062 
1 1 1 8   25 11 o 171.4438 49.83918 0.8838155      0.6954190 0.9228861      0.9690886 0.8423362      0.9985134 172.9968 70.41713 169.8908 70.54929 3.106033       99.67836 
1 1 1 8   25 12 o 255.4574 56.14081 2.750413       0.8815688 3.670804       1.209072  1.705716       1.288134  309.8903 77.31779 201.0244 81.41941 108.8659       112.2816 
1 1 1 8   26 0  o 181.2928 61.13801 0.1063633      0.8756191 0.1693614      0.9043860 -0.8369239     3.499547  148.3408 64.51703 214.2448 103.8700 -65.90396      122.2760 
1 1 1 8   26 1  o 149.3748 51.93152 -0.2429969     0.6013982 -1.895600      2.769943  -0.1612405     0.6160946 185.4329 90.46270 113.3167 51.02972 72.11620       103.8630 
1 1 1 8   26 2  o 151.1097 53.98259 -0.2251170     0.4647207 -0.2936325     2.909886  -0.2233237     0.4707629 206.5531 98.73439 95.66621 43.68064 110.8869       107.9652 
1 1 1 8   26 3  o 206.4989 71.32761 -1.123132      2.371171  -2.534628      3.090890  0.8956351      3.696467  184.1012 90.94294 228.8967 109.9086 -44.79553      142.6552 
1 1 1 8   26 4  o 288.4274 84.90549 3.839707       2.080306  7.983248       3.412358  1.388828       2.624398  355.8016 135.9543 221.0532 101.7458 134.7484       169.8110 
1 1 1 8   26 5  o 241.4452 106.0145 2.693743       2.493462  2.693743       2.493462  0.000000       0.000000  241.4452 106.0145 ?        ?        ?              ?        
1 1 1 8   26 6  o 226.5638 67.14143 1.732312       1.603047  4.009821       2.022846  -2.112685      2.628335  285.7068 105.6290 167.4208 82.91199 118.2860       134.2829 
1 1 1 8   26 7  o 202.5231 97.28033 1.022647       2.901675  1.022647       2.901675  0.000000       0.000000  202.5231 97.28033 ?        ?        ?              ?        
1 1 1 8   26 8  o 163.4017 68.33190 0.7052810      0.9461185 0.000000       0.000000  0.7052810      0.9461185 ?        ?        163.4017 68.33190 ?              ?        
1 1 1 8   26 9  o 193.9144 61.42467 0.8880787      0.9022913 3.217380       2.372969  0.4943874      0.9755672 233.3518 102.9078 154.4771 67.09657 78.87473       122.8493 
1 1 1 8   26 10 o 163.4003 54.84986 0.4289207      0.8110138 0.5018439      0.8332290 -0.8842037     3.535774  147.9356 63.09617 178.8649 89.73797 -30.92929      109.6997 
1 1 1 8   26 11 o 150.7148 44.95526 0.3911441E-01  0.6722156 -1.194175      0.8924131 1.656667       1.022028  101.2176 49.78248 200.2120 74.87059 -98.99442      89.91051 
1 1 1 8   27 0  o 276.3505 79.97926 1.751265       1.033510  1.057311       1.075955  10.02999       3.716297  186.3294 74.78147 366.3715 141.4018 -180.0421      159.9585 
1 1 1 8   27 1  o 134.2354 40.93396 0.2390666      0.4866794 -0.4090216     1.012121  0.4339845      0.5550618 131.4640 61.42179 137.0069 54.12689 -5.542831      81.86793 
1 1 1 8   27 2  o 152.2549 52.00378 0.2206053      0.4048640 -0.3028631     2.963117  0.2305638      0.4086969 191.2175 93.34619 113.2922 45.87002 77.92528       104.0076 
1 1 1 8   27 3  o 192.7163 67.83627 -0.9121339     2.535837  -1.994776      3.317194  0.6101566      3.933482  179.4529 89.56857 205.9798 101.9044 -26.52698      135.6725 
1 1 1 8   27 4  o 227.0119 73.38503 2.603246       2.132154  -1.085472      3.509271  4.761753       2.684453  186.1227 92.77300 267.9011 113.7305 -81.77841      146.7701 
1 1 1 8   27 5  o 176.6363 60.70610 -0.2968955     1.701174  -1.229651      2.305360  0.8182356      2.520680  162.1979 79.82076 191.0746 91.48536 -28.87674      121.4122 
1 1 1 8   27 6  o 193.5177 91.91247 1.219225       2.440445  1.219225       2.440445  0.000000       0.000000  193.5177 91.91247 ?        ?        ?              ?        
1 1 1 8   27 7  o 193.2401 94.18719 1.199282       2.983749  1.199282       2.983749  0.000000       0.000000  193.2401 94.18719 ?        ?        ?              ?        
1 1 1 8   27 8  o 195.3558 94.15089 1.768941       2.773902  0.000000       0.000000  1.768941       2.773902  ?        ?        195.3558 94.15089 ?              ?        
1 1 1 8   27 9  o 219.6722 51.65915 1.490651       0.6130555 0.9193977      0.7047052 3.268362       1.243150  164.3572 62.02632 274.9873 82.62812 -110.6301      103.3183 
1 1 1 8   27 10 o 249.5351 66.43174 4.177454       1.282864  3.923791       2.657972  4.254490       1.464767  207.1662 97.65096 291.9041 90.09435 -84.73793      132.8635 
1 1 1 8   28 0  o 186.5309 65.73088 -0.4194500     2.299743  -2.591209      2.950661  2.941418       3.670618  161.1436 80.99461 211.9183 103.5474 -50.77470      131.4618 
1 1 1 8   28 1  o 141.4834 43.27816 0.2718539      0.5790569 0.7718468      0.8663372 -0.1318974     0.7785062 161.7550 66.29375 121.2119 55.65193 40.54315       86.55633 
1 1 1 8   28 2  o 226.1098 67.72398 0.9257306      0.5458287 7.645772       3.021982  0.6991069      0.5549560 300.6165 123.5808 151.6030 55.44309 149.0135       135.4480 
1 1 1 8   28 3  o 221.9461 76.23628 4.712467       2.744035  5.691081       3.668137  3.468912       4.134971  235.0726 111.9462 208.8196 103.5178 26.25301       152.4726 
1 1 1 8   28 4  o 167.6009 59.47213 -1.322755      1.984048  0.7966210      3.368566  -2.448520      2.455076  186.4885 92.61530 148.7133 74.63340 37.77525       118.9443 
1 1 1 8   28 5  o 195.1010 65.92824 1.787386       1.840811  0.4736070      2.556704  3.201501       2.652539  176.6416 86.33344 213.5604 99.66277 -36.91879      131.8565 
1 1 1 8   28 6  o ?        ?        -5.941313      2.226359  -5.941313      2.226359  0.000000       0.000000  ?        ?        ?        ?        ?              ?        
1 1 1 8   28 7  o 230.1039 107.2871 5.677052       3.063012  0.000000       0.000000  5.677052       3.063012  ?        ?        230.1039 107.2871 ?              ?        
1 1 1 8   28 8  o 159.2494 56.21204 -0.1469139     1.859869  -0.9338870     2.963520  0.3644628      2.388902  156.6031 79.01916 161.8957 79.96967 -5.292633      112.4241 
1 1 1 8   29 0  o 181.3771 60.48750 0.9909543      0.9066693 0.8003473      0.9342512 4.076821       3.759090  159.1450 67.30072 203.6092 100.5264 -44.46417      120.9750 
1 1 1 8   29 1  o 128.3302 41.20268 0.7181076E-01  0.5831774 -0.1514752     0.8012816 0.3232995      0.8503814 119.0742 55.30296 137.5863 61.09195 -18.51215      82.40536 
1 1 1 8   29 2  o 151.6759 52.84501 0.1335383      0.6651551 1.769653       3.077241  0.5334888E-01  0.6812605 184.6489 91.12618 118.7028 53.53877 65.94604       105.6900 
1 1 1 8   29 3  o 186.4449 66.08141 2.391349       2.719461  3.582971       3.601162  0.8100176      4.148439  195.4901 96.85526 177.3998 89.92259 18.09026       132.1628 
1 1 1 8   29 4  o 189.7721 93.96555 3.111941       3.370722  3.111941       3.370722  0.000000       0.000000  189.7721 93.96555 ?        ?        ?              ?        
1 1 1 8   29 5  o 161.6382 80.28082 0.3241299      2.533177  0.3241299      2.533177  0.000000       0.000000  161.6382 80.28082 ?        ?        ?              ?        
1 1 1 8   29 6  o 174.1159 85.73058 -1.553533      1.915097  -5.452515      2.747342  2.131729       2.670984  ?        ?        174.1159 85.73058 ?              ?        
1 1 1 8   30 0  o 172.3598 50.50542 1.325050       0.7300293 1.576318       1.017764  1.058770       1.047723  183.5625 73.04785 161.1572 69.76534 22.40530       101.0108 
1 1 1 8   30 1  o 177.2853 51.28349 1.468236       0.7315846 1.575999       1.048150  1.365864       1.021595  181.5490 73.47489 173.0217 71.56415 8.527328       102.5670 
1 1 1 8   30 2  o 165.6696 68.49760 1.136617       0.9167306 1.190004       0.9354151 -0.1598563     4.609651  165.6696 68.49760 ?        ?        ?              ?        
1 1 1 8   30 3  o 175.2151 88.22481 1.157423       2.748551  4.193976       3.586759  -3.162430      4.278053  175.2151 88.22481 ?        ?        ?              ?        
1 1 1 8   30 4  o 159.1308 80.19560 1.851775       2.999194  1.851775       2.999194  0.000000       0.000000  159.1308 80.19560 ?        ?        ?              ?        
1 1 1 9   0  0  o 418.7704 44.35782 4.732809       1.242011  4.732809       1.242011  4.732809       1.242011  418.7704 62.73143 418.7704 62.73143 0.000000       0.000000 
1 1 1 9   0  1  f 156.7081 66.41869 0.6329891      1.333843  0.6329891      1.333843  0.6329891      1.333843  156.7081 93.93022 156.7081 93.93022 0.000000       0.000000 
1 1 1 9   0  2  o 796.4125 35.03526 16.25577       1.980034  16.25577       1.980034  16.25577       1.980034  796.4125 49.54734 796.4125 49.54734 0.000000       0.000000 
1 1 1 9   0  3  o 1376.541 52.21583 48.50308       5.112406  48.50308       5.112406  48.50308       5.112406  1376.541 73.84434 1376.541 73.84434 0.000000       0.000000 
1 1 1 9   0  4  f 241.0327 79.12586 2.161906       1.512857  2.161906       1.512857  2.161906       1.512857  241.0327 111.9009 241.0327 111.9009 0.000000       0.000000 
1 1 1 9   0  5  o 2714.217 72.35261 188.9364       14.01503  188.9364       14.01503  188.9364       14.01503  2714.217 102.3220 2714.217 102.3220 0.000000       0.000000 
1 1 1 9   0  6  o 3082.887 79.27495 244.1887       17.44565  244.1887       17.44565  244.1887       17.44565  3082.887 112.1117 3082.887 112.1117 0.000000       0.000000 
1 1 1 9   0  7  o 2165.941 63.32130 120.0709       9.781473  120.0709       9.781473  120.0709       9.781473  2165.941 89.54984 2165.941 89.54984 0.000000       0.000000 
1 1 1 9   0  8  o 990.0353 55.05447 25.37890       3.846976  25.37890       3.846976  25.37890       3.846976  990.0353 77.85878 990.0353 77.85878 0.000000       0.000000 
1 1 1 9   0  9  o 3570.801 88.60827 328.5569       22.59041  328.5569       22.59041  328.5569       22.59041  3570.801 125.3110 3570.801 125.3110 0.000000       0.000000 
1 1 1 9   0  10 o 835.4415 37.60915 17.94367       2.228710  17.94367       2.228710  17.94367       2.228710  835.4415 53.18736 835.4415 53.18736 0.000000       0.000000 
1 1 1 9   0  11 o 368.9243 63.51282 4.034744       1.453603  4.034744       1.453603  4.034744       1.453603  368.9243 89.82069 368.9243 89.82069 0.000000       0.000000 
1 1 1 9   0  12 o 186.6553 71.11300 1.284648       1.318008  1.284648       1.318008  1.284648       1.318008  186.6553 100.5690 186.6553 100.5690 0.000000       0.000000 
1 1 1 9   0  13 o 444.9141 50.27330 5.438448       1.478866  5.438448       1.478866  5.438448       1.478866  444.9141 71.09718 444.9141 71.09718 0.000000       0.000000 
1 1 1 9   0  14 o 327.4909 75.86647 3.560544       1.576908  3.560544       1.576908  3.560544       1.576908  327.4909 107.2914 327.4909 107.2914 0.000000       0.000000 
1 1 1 9   0  15 o 186.2566 73.97125 1.288906       1.491962  1.288906       1.491962  1.288906       1.491962  186.2566 104.6112 186.2566 104.6112 0.000000       0.000000 
1 1 1 9   0  16 o 564.0447 49.05856 8.667223       1.900812  8.667223       1.900812  8.667223       1.900812  564.0447 69.37929 564.0447 69.37929 0.000000       0.000000 
1 1 1 9   0  17 o 94.36919 48.09811 -2.732028      1.631392  -2.732028      1.631392  -2.732028      1.631392  94.36919 68.02100 94.36919 68.02100 0.000000       0.000000 
1 1 1 9   0  18 o 677.2476 69.87526 13.52401       3.177489  13.52401       3.177489  13.52401       3.177489  677.2476 98.81854 677.2476 98.81854 0.000000       0.000000 
1 1 1 9   0  19 o 268.2289 78.22359 2.921088       1.489009  2.921088       1.489009  2.921088       1.489009  268.2289 110.6249 268.2289 110.6249 0.000000       0.000000 
1 1 1 9   0  20 o 543.7604 59.07721 8.933222       2.138550  8.933222       2.138550  8.933222       2.138550  543.7604 83.54780 543.7604 83.54780 0.000000       0.000000 
1 1 1 9   0  21 o 901.1054 44.12013 22.87407       2.815158  22.87407       2.815158  22.87407       2.815158  901.1054 62.39529 901.1054 62.39529 0.000000       0.000000 
1 1 1 9   1  0  o 2120.297 52.35445 112.6339       5.330542  109.4323       6.526881  119.0469       9.237508  2076.728 62.07867 2163.867 84.32195 -87.13867      104.7089 
1 1 1 9   1  1  o 551.5744 44.25163 7.583195       1.163899  7.040949       1.432373  8.637032       1.996847  524.0468 54.79914 579.1021 69.49735 -55.05530      88.50327 
1 1 1 9   1  2  o 360.2131 54.10011 3.533926       0.9076037 3.784153       1.108031  3.023703       1.582209  381.6714 59.26498 338.7548 90.52597 42.91660       108.2002 
1 1 1 9   1  3  o 1988.930 50.99029 99.65114       4.871347  97.58149       5.977089  103.7454       8.406755  1959.973 60.23600 2017.888 82.29012 -57.91541      101.9806 
1 1 1 9   1  4  o 2065.986 51.60301 106.5983       5.128320  115.8045       8.904929  102.0298       6.273002  2129.356 82.60350 2002.615 61.87201 126.7410       103.2060 
1 1 1 9   1  5  o 3196.617 80.26986 261.4252       12.99053  0.000000       0.000000  261.4252       12.99053  ?        ?        3196.617 80.26986 ?              ?        
1 1 1 9   1  6  o 453.5042 56.39133 4.987709       1.165204  4.321299       1.382388  6.622976       2.165477  405.9253 69.78210 501.0830 88.60240 -95.15768      112.7827 
1 1 1 9   1  7  o 1598.970 39.16603 65.00618       3.169400  67.17807       4.491117  62.85144       4.473354  1625.680 54.56770 1572.260 56.19857 53.42017       78.33207 
1 1 1 9   1  8  o 1726.299 40.06756 75.76716       3.501457  77.28788       4.972610  74.27163       4.931264  1743.523 56.33433 1709.075 56.99195 34.44775       80.13512 
1 1 1 9   1  9  o 884.8735 43.38139 19.75149       1.856572  19.03638       2.307261  21.06497       3.126968  863.5817 53.02930 906.1653 68.67076 -42.58362      86.76278 
1 1 1 9   1  10 o 919.5492 44.31740 22.01229       1.927705  22.69705       2.378287  20.70078       3.291406  942.9883 49.99520 896.1102 73.18885 46.87811       88.63480 
1 1 1 9   1  11 o 2128.721 63.69338 117.3662       6.862792  115.2643       9.741325  119.4374       9.669976  2109.181 91.22641 2148.262 88.91078 -39.08154      127.3868 
1 1 1 9   1  12 o 826.7777 55.93479 17.56440       2.327512  0.000000       0.000000  17.56440       2.327512  ?        ?        826.7777 55.93479 ?              ?        
1 1 1 9   1  13 o 395.6284 71.04699 3.670558       1.364370  2.535259       1.625006  6.382987       2.511766  309.3713 94.79665 481.8855 105.8503 -172.5142      142.0940 
1 1 1 9   1  14 o 380.0939 59.22180 4.010215       1.140016  5.756805       1.621566  2.303293       1.603046  464.8873 71.16216 295.3006 94.68282 169.5867       118.4436 
1 1 1 9   1  15 o 548.3278 45.21391 7.978487       1.224530  7.127135       1.729491  8.834295       1.734013  517.1588 67.67978 579.4967 59.97198 -62.33795      90.42783 
1 1 1 9   1  16 o 573.3981 48.37315 8.846635       1.368440  7.927417       1.937646  9.761351       1.932895  541.2819 72.53191 605.5143 64.02318 -64.23242      96.74629 
1 1 1 9   1  17 o 831.4606 48.27050 18.05816       1.934851  16.71851       2.388705  20.61396       3.299374  793.3385 59.91494 869.5828 75.69917 -76.24426      96.54099 
1 1 1 9   1  18 o 318.4572 76.07115 2.731272       1.263104  3.693959       2.744676  2.472608       1.422711  345.2161 123.7093 291.6982 88.56235 53.51788       152.1423 
1 1 1 9   1  19 o 139.1247 47.68859 -2.251246      1.051510  -1.261899      1.496547  -3.215895      1.477750  154.9637 73.11389 123.2858 61.24675 31.67792       95.37717 
1 1 1 9   1  20 o 306.0118 68.10154 3.003387       1.197273  3.551281       1.665727  2.417794       1.722080  333.4863 94.39948 278.5374 98.18360 54.94888       136.2031 
1 1 1 9   1  21 o 257.1929 66.61173 1.897367       1.259472  3.205208       1.703165  0.3191351      1.870961  309.2941 97.42903 205.0918 90.86295 104.2023       133.2235 
1 1 1 9   2  0  o 800.3133 42.65662 16.63618       1.608675  17.24412       1.983142  15.46647       2.750798  823.3794 47.77949 777.2472 70.67864 46.13220       85.31325 
1 1 1 9   2  1  o 2368.771 65.32022 142.9111       7.825690  150.8942       11.10667  135.0404       11.02814  2434.821 90.10176 2302.719 94.59703 132.1018       130.6404 
1 1 1 9   2  2  o 1518.798 53.56327 58.78786       4.107033  56.22588       5.832288  61.30799       5.784450  1484.724 77.86211 1552.872 73.57710 -68.14844      107.1265 
1 1 1 9   2  3  o 1357.809 44.21646 46.19314       2.868497  44.74881       3.500398  49.14615       5.005130  1327.718 52.07484 1387.900 71.47443 -60.18176      88.43293 
1 1 1 9   2  4  o 365.7435 65.26633 3.616396       1.221879  4.297230       1.647187  2.783381       1.822002  402.7844 83.51762 328.7025 100.3174 74.08185       130.5327 
1 1 1 9   2  5  o 2611.397 60.70844 174.4662       7.564364  175.7167       13.11676  173.8431       9.259165  2613.021 99.15164 2609.773 70.07860 3.247803       121.4169 
1 1 1 9   2  6  o 2805.167 51.81818 200.9642       7.357899  196.5714       10.39510  205.3748       10.41621  2774.197 74.01294 2836.135 72.54363 -61.93823      103.6364 
1 1 1 9   2  7  o 1180.640 44.66185 35.46551       2.516498  35.29802       3.090013  35.79536       4.336489  1178.665 51.78287 1182.614 72.78226 -3.948853      89.32370 
1 1 1 9   2  8  o 890.1367 37.23327 20.29221       1.662774  18.68335       2.396653  21.78534       2.308840  855.4730 55.63948 924.8004 49.49256 -69.32739      74.46654 
1 1 1 9   2  9  o 391.1182 49.81528 4.001693       0.9480625 3.574886       1.295557  4.493742       1.391057  367.9425 72.12775 414.2939 68.73016 -46.35132      99.63056 
1 1 1 9   2  10 o 2797.372 52.07946 200.5483       7.374973  197.3480       10.42557  203.7538       10.43401  2774.770 74.21458 2819.973 73.08404 -45.20313      104.1589 
1 1 1 9   2  11 o 1124.754 45.05551 32.23952       2.421523  31.77194       2.972125  33.16276       4.176336  1115.885 52.60950 1133.623 73.15897 -17.73816      90.11102 
1 1 1 9   2  12 o 1655.256 80.27534 70.90166       6.727149  0.000000       0.000000  70.90166       6.727149  ?        ?        1655.256 80.27534 ?              ?        
1 1 1 9   2  13 o 1393.927 55.13306 49.85680       3.890772  49.85680       3.890772  0.000000       0.000000  1393.927 55.13306 ?        ?        ?              ?        
1 1 1 9   2  14 o 305.3835 71.23875 2.470223       1.221613  1.919280       2.326993  2.679829       1.435305  297.6398 112.6185 313.1272 87.27491 -15.48743      142.4775 
1 1 1 9   2  15 o 522.3151 56.65665 7.176030       1.425790  6.140994       1.823301  8.805160       2.287486  475.2007 78.53063 569.4296 81.68749 -94.22885      113.3133 
1 1 1 9   2  16 o 254.2634 62.35721 1.648096       0.9947250 2.024000       1.358393  1.213452       1.460677  272.6668 87.13062 235.8600 89.22971 36.80675       124.7144 
1 1 1 9   2  17 o 388.6481 62.15925 4.327855       1.194274  4.430509       1.706228  4.229253       1.672203  393.2604 87.90755 384.0358 87.90537 9.224609       124.3185 
1 1 1 9   2  18 o 335.5827 69.39383 3.383387       1.248835  3.458261       1.869104  3.323007       1.678475  337.7380 101.2796 333.4273 94.89180 4.310730       138.7877 
1 1 1 9   2  19 o 390.9906 75.88684 5.568076       1.635384  6.539170       1.914076  2.942558       3.147285  470.7056 83.37204 311.2756 126.8241 159.4300       151.7737 
1 1 1 9   2  20 o 215.2832 62.59875 0.8803942      1.109890  0.4250048      1.567546  1.338203       1.571704  199.2580 85.79763 231.3084 91.17666 -32.05038      125.1975 
1 1 1 9   2  21 o 219.8079 63.33100 1.119122       1.122374  0.7014306      1.616466  1.507949       1.559613  206.2589 87.92506 233.3569 91.17262 -27.09802      126.6620 
1 1 1 9   3  0  o 1580.774 53.86444 63.38032       4.310777  63.38032       4.310777  0.000000       0.000000  1580.774 53.86444 ?        ?        ?              ?        
1 1 1 9   3  1  o 2047.010 52.74591 107.6230       5.126309  109.8129       6.280952  103.2538       8.871881  2080.051 59.64415 2013.968 87.01206 66.08301       105.4918 
1 1 1 9   3  2  o 2561.804 60.24778 168.4199       7.344600  163.6143       12.69345  170.8386       9.005128  2531.218 99.05274 2592.390 68.61292 -61.17261      120.4956 
1 1 1 9   3  3  o 2019.539 60.01675 104.0629       6.130239  97.84857       8.582731  110.5349       8.758887  1957.669 86.59697 2081.409 83.12044 -123.7405      120.0335 
1 1 1 9   3  4  o 1165.865 43.97641 35.07768       2.445326  33.39424       4.152521  35.97137       3.025561  1141.902 72.20065 1189.827 50.22713 -47.92480      87.95283 
1 1 1 9   3  5  o 1672.533 39.23987 71.18201       3.321632  68.77361       4.669826  73.64836       4.725666  1643.801 56.11356 1701.264 54.86654 -57.46338      78.47974 
1 1 1 9   3  6  o 1494.685 45.91219 56.13990       3.288895  59.37606       5.721767  54.54308       4.019224  1524.899 74.11490 1464.472 54.20977 60.42688       91.82439 
1 1 1 9   3  7  o 716.8099 48.01440 13.02741       1.538412  12.81167       1.804469  13.60151       2.943569  708.3740 50.64977 725.2459 81.58513 -16.87195      96.02881 
1 1 1 9   3  8  o 1172.617 36.02620 34.93878       2.135603  37.48264       3.046159  32.47983       2.994891  1214.715 49.53297 1130.519 52.32623 84.19617       72.05241 
1 1 1 9   3  9  o 1526.264 38.50669 59.27923       2.975404  59.16702       4.197930  59.39251       4.217854  1524.824 54.37908 1527.704 54.53417 -2.879883      77.01338 
1 1 1 9   3  10 f 814.8724 44.31512 17.29753       1.714447  17.82999       2.127326  16.31084       2.895885  835.2274 50.54706 794.5176 72.80325 40.70978       88.63023 
1 1 1 9   3  11 o 1567.270 47.82946 62.38585       3.581401  64.95341       6.243721  61.12685       4.372173  1587.716 77.67603 1546.824 55.83065 40.89172       95.65891 
1 1 1 9   3  12 o 1142.337 37.54207 33.35971       2.169455  31.59345       3.043853  35.18333       3.092878  1111.392 54.09693 1173.282 52.06871 -61.88953      75.08414 
1 1 1 9   3  13 o 471.0410 51.48827 5.873246       1.186091  5.977013       1.736439  5.782485       1.623975  474.4651 74.76376 467.6169 70.81346 6.848267       102.9765 
1 1 1 9   3  14 o 494.8859 68.45879 7.069829       1.462052  7.449888       1.706039  6.018807       2.837070  531.7260 64.70912 458.0457 120.6613 73.68033       136.9176 
1 1 1 9   3  15 o 289.1240 67.32450 2.217111       1.134619  2.078850       1.508145  2.397422       1.722281  279.7047 91.99861 298.5432 98.31891 -18.83850      134.6490 
1 1 1 9   3  16 o 377.0786 71.14643 3.517299       1.505400  7.129686       2.447888  1.320128       1.909089  497.8814 100.5762 256.2757 100.6563 241.6057       142.2929 
1 1 1 9   3  17 o 175.6501 57.54158 -1.094897      1.204979  -1.282122      1.844582  -0.9555258     1.591489  179.8264 83.64819 171.4738 79.03868 8.352585       115.0832 
1 1 1 9   3  18 o 317.1720 70.52954 3.120824       1.329786  1.774469       2.196324  3.900008       1.670846  272.1758 107.6241 362.1682 91.18506 -89.99246      141.0591 
1 1 1 9   3  19 o 361.9378 75.28986 4.696876       1.592757  5.671759       1.885744  2.270205       2.975171  432.6766 89.05543 291.1991 121.4223 141.4775       150.5797 
1 1 1 9   3  20 o 566.3478 61.57371 9.797585       1.680489  10.26906       2.238437  9.188653       2.543899  592.7689 76.36504 539.9268 96.61091 52.84216       123.1474 
1 1 1 9   3  21 o 208.7058 62.53154 -0.1276990     1.405627  2.194603       1.777667  -4.001994      2.296082  262.3628 98.61880 155.0489 76.90974 107.3139       125.0631 
1 1 1 9   4  0  o 2874.859 65.47803 213.7693       8.923232  201.5189       15.41024  219.9487       10.94479  2808.356 108.3861 2941.363 73.49794 -133.0063      130.9561 
1 1 1 9   4  1  o 1200.711 44.51778 37.40383       2.519196  34.64051       4.345920  38.80224       3.091599  1164.665 74.09013 1236.757 49.37593 -72.09143      89.03555 
1 1 1 9   4  2  o 2460.747 58.72604 155.7020       6.882947  150.4496       11.85625  158.3720       8.453255  2426.073 96.52942 2495.420 66.91087 -69.34717      117.4521 
1 1 1 9   4  3  o 2035.963 52.93082 107.5319       5.107914  100.3555       8.797460  111.1814       6.273690  1981.035 87.71652 2090.891 59.26633 -109.8555      105.8616 
1 1 1 9   4  4  o 2035.298 42.44934 105.4799       4.374002  105.5725       6.174733  105.3866       6.196873  2036.222 59.89761 2034.374 60.16697 1.847656       84.89869 
1 1 1 9   4  5  o 1178.782 35.47400 35.31421       2.115305  33.37081       2.959557  37.34381       3.024487  1145.552 51.03030 1212.013 49.29023 -66.46069      70.94800 
1 1 1 9   4  6  o 1321.715 45.38682 44.32044       2.858419  45.31480       4.963260  43.82695       3.496498  1330.393 73.98147 1313.036 52.59844 17.35632       90.77364 
1 1 1 9   4  7  o 1870.720 41.07354 89.01662       3.888617  86.03753       5.488171  92.02009       5.510567  1839.154 58.94215 1902.286 57.21857 -63.13184      82.14707 
1 1 1 9   4  8  o 2289.761 57.34038 135.1260       6.231055  137.2826       7.625142  130.7912       10.81042  2321.500 64.87774 2258.022 94.56509 63.47778       114.6808 
1 1 1 9   4  9  o 2024.726 42.95148 104.5082       4.402774  104.1329       6.223594  104.8842       6.229337  2021.068 60.82425 2028.384 60.66078 -7.316040      85.90296 
1 1 1 9   4  10 o 1559.351 47.01435 61.80576       3.529812  60.85994       4.349177  63.63119       6.042054  1544.566 55.61822 1574.135 75.81564 -29.56982      94.02871 
1 1 1 9   4  11 o 892.3500 46.08929 20.26094       1.965662  21.37518       3.381512  19.69228       2.415734  908.3871 74.17599 876.3127 54.72490 32.07440       92.17859 
1 1 1 9   4  12 o 1085.856 37.58049 30.18166       2.061804  31.32016       2.950402  29.09501       2.882446  1106.624 52.66203 1065.088 53.62726 41.53589       75.16097 
1 1 1 9   4  13 o 259.7903 68.37764 1.208821       1.079715  2.166926       2.139210  0.8813124      1.250713  303.5378 109.1685 216.0428 82.36649 87.49492       136.7553 
1 1 1 9   4  14 o 296.2426 73.27741 2.215635       1.277029  2.392630       1.488361  1.721733       2.486268  297.4294 90.64516 295.0558 115.1598 2.373535       146.5548 
1 1 1 9   4  15 f 287.6322 64.27100 2.253167       1.048545  2.111524       1.537431  2.376346       1.433729  281.4501 92.90277 293.8144 88.83761 -12.36429      128.5420 
1 1 1 9   4  16 o 419.6522 61.04237 4.763941       1.209256  4.251879       1.493964  5.736863       2.059290  391.0792 78.18848 448.2252 93.76165 -57.14603      122.0847 
1 1 1 9   4  17 o 726.3081 59.41112 14.86837       2.102252  13.72913       3.191732  15.74131       2.793896  693.5957 93.25739 759.0204 73.63277 -65.42474      118.8222 
1 1 1 9   4  18 o 426.0536 75.41145 5.528132       1.551709  5.263089       1.890493  6.075373       2.716475  421.0778 91.31108 431.0295 120.0410 -9.951721      150.8229 
1 1 1 9   4  19 o 296.5923 81.38528 2.578193       1.694289  3.483441       2.809896  2.061045       2.123801  321.9959 123.2907 271.1887 106.2716 50.80719       162.7706 
1 1 1 9   4  20 o 269.4352 69.54608 2.269504       1.268393  2.754977       1.544999  1.265859       2.221447  294.3764 92.80188 244.4941 103.6072 49.88231       139.0922 
1 1 1 9   4  21 o 266.1014 76.91150 1.999647       1.473695  1.569157       1.708917  3.248516       2.910701  236.5802 94.49351 295.6226 121.3775 -59.04234      153.8230 
1 1 1 9   5  0  o 573.5980 43.33414 8.455391       1.199165  8.443701       1.950770  8.462491       1.520334  572.1878 68.71603 575.0082 52.81572 -2.820374      86.66829 
1 1 1 9   5  1  o 1424.414 45.36302 53.09402       3.061886  47.29150       5.176037  56.21752       3.797602  1360.612 75.43678 1488.215 50.40342 -127.6030      90.72604 
1 1 1 9   5  2  o 2089.475 53.12323 111.9021       5.305835  109.4615       9.104425  113.1572       6.529188  2069.634 86.89113 2109.316 61.14117 -39.68286      106.2465 
1 1 1 9   5  3  o 1905.718 41.43496 92.41528       3.997207  90.47133       5.634352  94.38505       5.671641  1885.469 59.02568 1925.967 58.16695 -40.49829      82.86993 
1 1 1 9   5  4  o 1782.807 39.97805 80.90896       3.608353  81.02451       5.107240  80.79379       5.098735  1784.076 56.54434 1781.537 56.53065 2.539673       79.95610 
1 1 1 9   5  5  o 378.9395 48.28070 3.774349       0.8921168 3.732066       1.265751  3.816087       1.257576  376.6648 68.91542 381.2142 67.63702 -4.549408      96.56139 
1 1 1 9   5  6  o 1007.605 35.51278 25.89069       1.803610  27.23330       2.513031  24.46448       2.590093  1035.482 47.93710 979.7288 52.40863 55.75275       71.02556 
1 1 1 9   5  7  o 893.3337 42.83187 19.56867       1.835099  23.11068       3.214470  17.85616       2.235121  950.1184 67.26110 836.5491 53.04924 113.5693       85.66374 
1 1 1 9   5  8  o 769.9659 46.56518 14.93807       1.637987  14.54816       1.940657  15.90388       3.054324  754.8239 51.08388 785.1081 77.86977 -30.28424      93.13036 
1 1 1 9   5  9  o 257.7514 57.03874 1.483377       0.8660888 0.6777436      1.133196  2.615003       1.343036  201.8763 78.03532 313.6265 83.21153 -111.7502      114.0775 
1 1 1 9   5  10 o 967.1241 43.31723 23.68886       2.025885  22.90074       2.515586  25.14329       3.417353  946.1776 52.72445 988.0706 68.74346 -41.89307      86.63447 
1 1 1 9   5  11 o 1624.801 39.99076 67.51769       3.289564  67.14291       4.651793  67.89259       4.652500  1620.245 56.70954 1629.356 56.40099 -9.111328      79.98152 
1 1 1 9   5  12 o 763.7299 39.19098 15.01910       1.504972  15.13845       2.138831  14.90206       2.118025  766.7408 55.47368 760.7188 55.37510 6.022034       78.38196 
1 1 1 9   5  13 o 1585.006 48.94692 64.26794       3.692657  68.02914       6.503307  62.47830       4.485963  1612.330 79.67036 1557.682 56.88442 54.64795       97.89384 
1 1 1 9   5  14 o 547.8791 59.78383 8.372573       1.451121  8.746770       1.745917  7.536510       2.609712  577.2396 60.64936 518.5186 103.0441 58.72107       119.5677 
1 1 1 9   5  15 o 568.0841 45.16860 8.570711       1.276229  8.489142       1.781925  8.656617       1.828704  565.5087 63.32656 570.6595 64.42481 -5.150757      90.33720 
1 1 1 9   5  16 o 892.9923 38.80350 20.95596       1.745296  21.35960       2.459046  20.54623       2.477500  902.1497 54.08956 883.8350 55.65220 18.31476       77.60701 
1 1 1 9   5  17 o 607.1440 48.56393 10.04411       1.457648  8.880716       2.040129  11.25737       2.083402  568.4323 72.54597 645.8557 64.58254 -77.42340      97.12787 
1 1 1 9   5  18 o 319.0096 70.46616 3.084821       1.267397  2.633412       1.735683  3.600426       1.855000  296.7338 98.74788 341.2854 100.5523 -44.55161      140.9323 
1 1 1 9   5  19 o 240.7865 67.49334 0.9725018      1.420903  -1.506634      2.190973  2.772063       1.866681  186.1447 88.01989 295.4283 102.3421 -109.2836      134.9867 
1 1 1 9   5  20 o 316.4798 98.31108 3.296250       1.740948  3.296250       1.740948  0.000000       0.000000  316.4798 98.31108 ?        ?        ?              ?        
1 1 1 9   5  21 o 183.5851 60.41073 -0.9291790     1.421654  -2.546801      2.124806  0.3818762      1.912896  162.1984 79.15049 204.9718 91.28541 -42.77339      120.8215 
1 1 1 9   6  0  o 1079.083 43.35144 30.37313       2.226770  27.46020       3.734530  31.98010       2.773796  1035.827 71.65429 1122.339 48.81651 -86.51257      86.70288 
1 1 1 9   6  1  o 766.0425 36.49849 15.11067       1.392883  16.33712       1.895927  13.67243       2.053118  800.8039 46.96954 731.2811 55.87863 69.52277       72.99698 
1 1 1 9   6  2  o 556.0444 37.88320 7.918778       1.052276  7.582946       1.451476  8.290826       1.527737  543.5466 53.43668 568.5423 53.71284 -24.99567      75.76640 
1 1 1 9   6  3  o 1632.796 38.91644 67.86566       3.212451  63.31990       4.516716  72.51918       4.569937  1577.203 56.56547 1688.388 53.46310 -111.1849      77.83287 
1 1 1 9   6  4  o 685.4944 37.28557 11.99652       1.282368  11.27000       1.767819  12.80338       1.863008  663.4647 53.07467 707.5241 52.38258 -44.05945      74.57114 
1 1 1 9   6  5  o 985.1685 36.12687 24.72916       1.794867  23.00656       2.532126  26.46874       2.544571  949.7591 52.87042 1020.578 49.24757 -70.81885      72.25375 
1 1 1 9   6  6  o 665.6678 36.84382 11.33237       1.231227  11.47989       1.723896  11.17878       1.759072  670.2319 51.19168 661.1037 53.00264 9.128235       73.68764 
1 1 1 9   6  7  o 1883.661 50.28872 89.59505       4.537580  93.24416       7.872731  87.77980       5.552654  1909.927 81.41886 1857.395 59.04903 52.53198       100.5774 
1 1 1 9   6  8  o 2030.595 42.54948 105.0318       4.373758  102.8997       6.159581  107.2001       6.211603  2009.734 60.53813 2051.457 59.80777 -41.72339      85.09897 
1 1 1 9   6  9  o 1710.902 56.46015 74.64142       4.890472  74.64142       4.890472  0.000000       0.000000  1710.902 56.46015 ?        ?        ?              ?        
1 1 1 9   6  10 o 1042.749 46.33703 28.91551       2.270708  25.00854       3.834859  31.02490       2.817788  982.4819 77.73238 1103.016 50.45948 -120.5342      92.67406 
1 1 1 9   6  11 o 489.6503 47.45056 6.166121       1.132618  5.130908       1.502625  7.528088       1.723531  441.4864 69.52772 537.8141 64.59195 -96.32767      94.90112 
1 1 1 9   6  12 o 360.7359 58.93174 3.549818       1.043180  3.718597       1.356712  3.305721       1.631584  372.6323 74.51933 348.8396 91.31632 23.79269       117.8635 
1 1 1 9   6  13 o 359.3425 61.46620 3.475545       1.138645  2.202824       1.549158  4.971039       1.679274  289.7724 93.09540 428.9127 80.28463 -139.1402      122.9324 
1 1 1 9   6  14 o 572.4673 64.10909 9.231150       1.586784  8.409751       2.974124  9.558004       1.876117  542.4921 111.9997 602.4425 62.41773 -59.95044      128.2182 
1 1 1 9   6  15 o 325.7456 84.10971 2.977661       1.396696  2.977661       1.396696  0.000000       0.000000  325.7456 84.10971 ?        ?        ?              ?        
1 1 1 9   6  16 o 285.6684 67.55750 2.256974       1.124910  1.993222       1.931109  2.392440       1.383965  280.2146 103.2804 291.1222 87.11610 -10.90762      135.1150 
1 1 1 9   6  17 o 300.7083 70.73692 2.638321       1.288081  3.163272       1.679981  1.889538       2.006426  327.1399 95.49448 274.2767 104.3822 52.86319       141.4738 
1 1 1 9   6  18 o 449.2663 59.50459 5.944503       1.299116  6.301618       1.785859  5.543128       1.893299  468.1613 78.09871 430.3712 89.79855 37.79010       119.0092 
1 1 1 9   6  19 o 265.0807 69.59489 1.816393       1.455678  -0.7019837     2.300820  3.497278       1.879712  204.0352 94.39237 326.1262 102.2931 -122.0909      139.1898 
1 1 1 9   6  20 o 281.8885 74.79035 2.570865       1.395806  2.664192       1.655914  2.341800       2.594260  286.3778 96.46012 277.3993 114.3234 8.978516       149.5807 
1 1 1 9   6  21 o 217.2165 67.52451 0.7981442      1.341394  0.6559432      1.608192  1.123285       2.431769  200.5509 86.62680 233.8821 103.6052 -33.33124      135.0490 
1 1 1 9   7  0  o 538.3590 39.34462 7.538380       1.031494  9.291087       1.464898  5.814778       1.452684  602.8175 48.40789 473.9006 62.03768 128.9169       78.68925 
1 1 1 9   7  1  o 740.8678 36.69139 14.24209       1.344217  15.83477       1.818428  12.32323       1.995972  788.2310 45.76489 693.5046 57.36380 94.72644       73.38277 
1 1 1 9   7  2  o 429.0656 47.29446 4.894263       0.9714504 3.711446       1.385904  6.036768       1.362083  374.4212 75.71420 483.7100 56.69590 -109.2888      94.58893 
1 1 1 9   7  3  o 909.3655 35.28070 21.08845       1.617900  20.87874       2.268171  21.30568       2.308473  904.7746 49.70726 913.9564 50.08092 -9.181763      70.56139 
1 1 1 9   7  4  o 2028.944 42.34276 104.8472       4.349375  104.6602       6.163946  105.0326       6.138027  2027.105 60.06187 2030.783 59.70100 -3.677734      84.68552 
1 1 1 9   7  5  o 2095.161 42.60125 111.8141       4.511364  104.0443       6.359257  119.6862       6.401011  2021.466 62.13786 2168.855 58.29540 -147.3894      85.20251 
1 1 1 9   7  6  o 1515.404 37.70694 58.34092       2.889820  54.68439       4.037156  62.18310       4.138370  1466.612 54.37217 1564.196 52.25820 -97.58423      75.41388 
1 1 1 9   7  7  o 955.7449 35.18208 23.26583       1.696071  24.81137       2.404501  21.73534       2.392755  988.2149 48.06068 923.2750 51.39344 64.93994       70.36416 
1 1 1 9   7  8  o 1249.675 52.76395 40.15367       3.308669  39.59631       4.889794  40.62437       4.493600  1240.752 78.24416 1258.598 70.80955 -17.84595      105.5279 
1 1 1 9   7  9  o 1047.910 47.37779 28.79428       2.290355  29.77609       2.766243  26.65400       4.084243  1081.028 50.54400 1014.792 80.14939 66.23596       94.75558 
1 1 1 9   7  10 o 1005.506 44.74461 25.48183       2.183067  27.96832       3.680032  24.13168       2.711748  1040.843 70.24757 970.1697 55.44006 70.67340       89.48923 
1 1 1 9   7  11 o 1224.724 37.72270 38.37455       2.338376  38.60750       3.276243  38.13266       3.338564  1228.674 52.66906 1220.773 54.01832 7.901367       75.44540 
1 1 1 9   7  12 o 1242.835 37.95776 39.62593       2.387929  38.60219       3.359010  40.67194       3.395367  1226.479 54.09629 1259.192 53.26123 -32.71289      75.91553 
1 1 1 9   7  13 o 186.6439 57.02577 -0.8931467E-01 0.9923207 -0.4158318     1.442735  0.2038347      1.367030  179.2122 79.57446 194.0755 81.70471 -14.86328      114.0515 
1 1 1 9   7  14 o 374.3930 70.14423 3.186377       1.215075  6.067845       2.515160  2.309149       1.387762  458.5272 109.7993 290.2589 87.32106 168.2683       140.2885 
1 1 1 9   7  15 o 782.3372 58.18629 16.12551       2.288126  16.12551       2.288126  0.000000       0.000000  782.3372 58.18629 ?        ?        ?              ?        
1 1 1 9   7  16 f 722.8033 53.86060 14.20534       1.907247  14.95441       3.012449  13.70420       2.463976  734.0227 82.49247 711.5840 69.27373 22.43872       107.7212 
1 1 1 9   7  17 o 387.8727 67.24109 4.397171       1.285500  4.023777       1.641495  4.989342       2.067184  370.1223 88.74914 405.6230 101.0398 -35.50079      134.4822 
1 1 1 9   7  18 o 687.4275 48.51602 13.17485       1.663342  12.39758       2.281870  14.05610       2.429728  665.6302 68.70130 709.2247 68.52261 -43.59454      97.03204 
1 1 1 9   7  19 o 659.8405 58.89467 13.03712       1.898031  12.97579       2.895252  13.08333       2.513493  649.5977 90.49332 670.0832 75.40083 -20.48553      117.7893 
1 1 1 9   7  20 o 519.8882 74.33842 8.997019       1.771395  8.824072       2.143115  9.369968       3.147125  539.5231 80.95914 500.2534 124.7013 39.26962       148.6768 
1 1 1 9   8  0  o 1221.186 35.80196 37.94561       2.211355  35.95981       3.121487  39.94635       3.133203  1188.957 51.85752 1253.416 49.37529 -64.45923      71.60393 
1 1 1 9   8  1  o 122.9795 40.14874 -0.6736078     0.5849862 -0.7733512     0.8303021 -0.5752962     0.8243212 120.1980 55.98127 125.7610 57.56545 -5.562920      80.29747 
1 1 1 9   8  2  o 1124.479 35.32299 32.15759       2.010797  32.61965       2.849432  31.69922       2.837993  1132.553 49.69541 1116.406 50.21177 16.14685       70.64599 
1 1 1 9   8  3  o 667.8484 36.30497 11.45667       1.211392  12.63748       1.701682  10.24345       1.724888  703.5163 48.06489 632.1805 54.42397 71.33575       72.60993 
1 1 1 9   8  4  o 1984.448 41.61123 100.2847       4.176594  95.12579       5.899345  105.4690       5.913873  1932.986 60.28253 2035.911 57.37592 -102.9247      83.22247 
1 1 1 9   8  5  o 1888.794 41.60121 90.77229       3.977952  91.13982       5.653172  90.41183       5.598573  1892.553 59.00116 1885.035 58.66435 7.518188       83.20242 
1 1 1 9   8  6  o 1982.916 42.50406 100.1041       4.265965  102.5650       6.032270  97.64197       6.033702  2007.437 59.35472 1958.395 60.85553 49.04199       85.00811 
1 1 1 9   8  7  o 3271.684 58.45655 274.2841       9.682218  271.5820       13.68219  276.9944       13.70328  3255.377 83.01768 3287.991 82.32095 -32.61426      116.9131 
1 1 1 9   8  8  o 1761.649 58.31535 79.87920       5.193537  77.54855       7.475980  82.05313       7.220235  1735.917 85.06592 1787.380 79.79042 -51.46338      116.6307 
1 1 1 9   8  9  o 1129.950 53.11752 32.94021       3.012524  32.45630       4.093608  33.51187       4.449286  1121.652 72.47587 1138.248 77.67323 -16.59619      106.2350 
1 1 1 9   8  10 o 1314.352 37.39950 44.18446       2.486291  45.93451       3.494848  42.39108       3.537841  1341.054 51.47524 1287.650 54.26960 53.40356       74.79900 
1 1 1 9   8  11 o 427.5693 52.95080 4.906517       1.093683  5.937621       1.548883  3.881201       1.544529  475.8070 66.08316 379.3316 82.75365 96.47543       105.9016 
1 1 1 9   8  12 o 646.9369 42.84093 10.85188       1.383826  10.35264       1.882618  11.43867       2.041015  630.9409 59.64464 662.9329 61.51341 -31.99194      85.68187 
1 1 1 9   8  13 o 484.6324 46.57169 6.262796       1.104233  5.532351       1.575508  6.968046       1.548097  454.6014 70.75665 514.6633 60.57379 -60.06189      93.14337 
1 1 1 9   8  14 o 440.7336 69.53602 5.541424       1.356468  5.389801       2.698071  5.592712       1.569207  426.3410 119.9526 455.1263 70.37330 -28.78531      139.0720 
1 1 1 9   8  15 o 234.2444 67.78263 0.3124370      1.239411  -0.5183770     1.500740  2.094701       2.198060  177.2690 79.75390 291.2197 109.6232 -113.9507      135.5653 
1 1 1 9   8  16 o 711.0963 45.04625 13.46555       1.591774  12.61214       2.099000  14.62060       2.441936  686.3477 61.04386 735.8448 66.25937 -49.49719      90.09249 
1 1 1 9   8  17 o 823.8904 43.37993 18.33306       1.791175  16.60901       2.487571  20.18939       2.581232  781.7678 63.39730 866.0131 59.22886 -84.24536      86.75986 
1 1 1 9   8  18 o 694.5651 52.52667 14.10968       1.749224  16.45691       2.366965  11.28516       2.596488  772.9684 60.98006 616.1616 85.54318 156.8068       105.0533 
1 1 1 9   8  19 o 253.5344 68.27346 1.792728       1.269856  2.682531       1.757947  0.8218281      1.836311  287.3208 99.32895 219.7480 93.69537 67.57278       136.5469 
1 1 1 9   8  20 f 243.8827 66.63585 1.430963       1.395655  3.118499       1.766698  -1.370436      2.276268  301.4903 99.59260 186.2751 88.55879 115.2152       133.2717 
1 1 1 9   9  0  o 2686.513 48.71056 184.3526       6.623447  179.4230       9.361046  189.2946       9.372903  2650.239 69.76791 2722.788 67.99494 -72.54980      97.42112 
1 1 1 9   9  1  o 3621.105 61.19548 336.5738       11.21526  326.6068       15.84456  346.5817       15.87704  3566.678 87.74709 3675.533 85.32289 -108.8552      122.3910 
1 1 1 9   9  2  o 1024.901 34.20383 26.69399       1.773888  26.81050       2.551537  26.58499       2.467867  1027.005 49.07333 1022.797 47.65940 4.207886       68.40767 
1 1 1 9   9  3  o 1149.759 36.76008 33.57965       2.137710  35.71862       3.068272  31.56197       2.980017  1185.391 51.12681 1114.127 52.83241 71.26379       73.52016 
1 1 1 9   9  4  o 966.9654 37.10016 23.84474       1.808735  24.51849       2.554081  23.16692       2.561812  980.8208 51.61694 953.1100 53.30459 27.71082       74.20033 
1 1 1 9   9  5  o 436.7170 47.04744 4.936427       1.003889  5.407689       1.496441  4.550786       1.353694  455.8887 66.81948 417.5453 66.24955 38.34332       94.09488 
1 1 1 9   9  6  o 1305.721 37.16357 43.37859       2.455622  44.05276       3.439732  42.67789       3.506788  1316.180 51.62091 1295.262 53.47716 20.91821       74.32715 
1 1 1 9   9  7  o 609.8094 45.08553 9.366025       1.323844  8.767404       1.646561  10.46045       2.226361  583.8824 56.40409 635.7363 70.35197 -51.85388      90.17107 
1 1 1 9   9  8  o 1053.331 37.79200 28.46199       2.001482  30.83404       2.790733  25.94967       2.872063  1100.003 50.11191 1006.659 56.58390 93.34363       75.58400 
1 1 1 9   9  9  o 1147.314 55.12704 33.64664       3.202068  0.000000       0.000000  33.64664       3.202068  ?        ?        1147.314 55.12704 ?              ?        
1 1 1 9   9  10 o 326.9095 68.88243 1.748246       1.042617  1.014079       1.147822  5.211444       2.492963  218.3237 79.75251 435.4952 112.3330 -217.1715      137.7649 
1 1 1 9   9  11 o 283.1155 62.79536 2.088701       1.001601  1.970016       1.386320  2.218307       1.448693  275.9707 88.00436 290.2603 89.60057 -14.28958      125.5907 
1 1 1 9   9  12 o 569.1599 46.25624 8.509025       1.308140  8.253495       1.822945  8.780301       1.878273  560.2244 65.50996 578.0954 65.32232 -17.87103      92.51249 
1 1 1 9   9  13 o 451.2396 50.26796 5.490541       1.107051  5.234004       1.602744  5.724605       1.530937  439.6081 74.68572 462.8711 67.30167 -23.26297      100.5359 
1 1 1 9   9  14 o 216.5395 59.78897 0.8676316      0.9527460 1.100777       1.342290  0.6309115      1.352542  226.3180 85.55719 206.7609 83.53951 19.55704       119.5779 
1 1 1 9   9  15 o 248.4032 64.08686 1.203915       1.152747  2.622342       1.648080  -0.1546866     1.612950  303.4423 95.86784 193.3640 85.07561 110.0783       128.1737 
1 1 1 9   9  16 o 274.6570 69.48855 2.051068       1.221754  2.205263       1.604184  1.838095       1.885301  280.0098 94.93842 269.3043 101.4955 10.70554       138.9771 
1 1 1 9   9  17 o 269.2877 67.00394 2.077822       1.196699  2.776783       1.518314  0.9314813      1.944429  303.7062 91.32920 234.8691 98.06676 68.83705       134.0079 
1 1 1 9   9  18 o 194.3838 59.90475 0.2483510      1.091982  0.8771028E-01  1.426426  0.4757756      1.697228  182.3731 80.12800 206.3946 89.07200 -24.02150      119.8095 
1 1 1 9   9  19 o 282.3822 69.61570 2.525686       1.288902  3.637269       1.823281  1.415316       1.822285  328.1114 100.3927 236.6530 96.47121 91.45836       139.2314 
1 1 1 9   9  20 o 319.6124 80.70155 3.943028       1.644322  3.875242       2.190960  4.030449       2.488128  320.1002 110.8765 319.1246 117.2918 0.9755859      161.4031 
1 1 1 9   10 0  o 232.2666 64.91980 0.8507921      0.8664465 0.5839496      2.307487  0.8945911      0.9348545 262.0642 107.8899 202.4689 72.23640 59.59525       129.8396 
1 1 1 9   10 1  o 1015.689 37.34900 26.31326       1.913277  26.82070       2.689668  25.79347       2.722189  1025.749 51.96294 1005.629 53.66231 20.12030       74.69800 
1 1 1 9   10 2  o 2658.716 50.37856 180.4631       6.774429  190.3774       9.609725  170.6685       9.551519  2731.861 69.48142 2585.570 72.96801 146.2910       100.7571 
1 1 1 9   10 3  o 1272.371 37.13739 41.15950       2.391697  42.34739       3.393718  39.98737       3.371135  1290.671 51.93697 1254.071 53.09704 36.59985       74.27479 
1 1 1 9   10 4  o 1527.145 38.64317 59.31995       2.987539  59.07484       4.241586  59.56127       4.208644  1523.971 54.97535 1530.319 54.32209 -6.348389      77.28634 
1 1 1 9   10 5  o 686.8301 40.34217 12.14133       1.383427  11.30140       2.004736  12.90497       1.911514  663.4016 60.34933 710.2587 53.55297 -46.85706      80.68434 
1 1 1 9   10 6  o 2030.934 42.98260 105.1955       4.419409  104.6220       6.226981  105.7776       6.273252  2025.371 60.72803 2036.497 60.84505 -11.12573      85.96519 
1 1 1 9   10 7  o 859.6489 43.62864 19.44800       1.777800  20.54108       2.216946  17.47866       2.975699  896.7783 49.01558 822.5195 72.18937 74.25879       87.25728 
1 1 1 9   10 8  o 878.0184 44.69232 20.32005       1.887799  18.05812       3.049299  21.72577       2.403866  834.8126 72.87924 921.2244 51.75163 -86.41180      89.38464 
1 1 1 9   10 9  o 1237.531 46.38611 39.32990       2.721413  39.73117       4.747713  39.13353       3.321178  1237.891 76.12527 1237.171 53.02478 0.7202148      92.77222 
1 1 1 9   10 10 o 854.7001 48.61653 18.99180       1.919295  19.02646       2.308457  18.91420       3.454170  860.2674 53.26552 849.1328 81.34526 11.13464       97.23306 
1 1 1 9   10 11 o 280.8724 55.78768 1.896888       0.9304293 0.4790168      1.267622  3.552991       1.369983  199.1779 80.73460 362.5669 77.01288 -163.3890      111.5754 
1 1 1 9   10 12 o 510.9355 46.88777 6.898632       1.159692  8.689896       1.699659  5.338325       1.586306  576.0425 59.11862 445.8285 72.79314 130.2140       93.77554 
1 1 1 9   10 13 o 176.1284 52.19637 0.2103014      0.7857904 -0.2463045E-01 1.175948  0.3998295      1.056220  171.7824 74.13841 180.4745 73.49380 -8.692123      104.3927 
1 1 1 9   10 14 o 646.6653 48.99224 10.81127       1.544153  9.118887       1.952540  13.63712       2.523046  582.1826 67.49790 711.1481 71.02809 -128.9655      97.98447 
1 1 1 9   10 15 o 466.8916 91.77237 6.294521       2.091918  0.000000       0.000000  6.294521       2.091918  ?        ?        466.8916 91.77237 ?              ?        
1 1 1 9   10 16 o 479.5434 65.55984 5.623532       1.420947  3.896029       1.655275  10.46228       2.770301  362.4890 90.48076 596.5978 94.89786 -234.1089      131.1197 
1 1 1 9   10 17 o 269.0168 64.27319 1.771425       1.192038  0.3849925E-01  1.642765  3.698611       1.732396  194.1046 85.61017 343.9291 95.89094 -149.8246      128.5464 
1 1 1 9   10 18 o 567.4915 54.61869 9.500440       1.526835  8.974068       2.115273  10.07300       2.206133  550.0263 78.16135 584.9566 76.31258 -34.93030      109.2374 
1 1 1 9   10 19 o 645.3651 50.88298 12.22740       1.632597  12.77351       2.317522  11.68940       2.300257  661.7861 70.24469 628.9441 73.63419 32.84204       101.7660 
1 1 1 9   10 20 f 403.3718 103.1393 5.863419       2.114486  0.000000       0.000000  5.863419       2.114486  ?        ?        403.3718 103.1393 ?              ?        
1 1 1 9   11 0  o 1580.706 38.90294 63.56652       3.112830  64.28431       4.382458  62.83564       4.422225  1589.792 54.44948 1571.620 55.57885 18.17200       77.80588 
1 1 1 9   11 1  o 1046.999 52.11291 29.63988       2.423753  31.76469       2.893646  24.64418       4.436947  1117.840 51.13073 976.1572 90.82218 141.6833       104.2258 
1 1 1 9   11 2  o 513.3842 57.29238 6.621058       1.314474  6.250123       1.548545  7.577435       2.486504  491.2479 63.76858 535.5204 95.20102 -44.27255      114.5848 
1 1 1 9   11 3  o 663.4672 56.63328 10.96043       1.814230  9.547306       2.269530  13.46198       3.019602  606.7050 75.52284 720.2295 84.41335 -113.5245      113.2666 
1 1 1 9   11 4  o 1515.753 38.45900 58.48548       2.950056  56.62003       4.175637  60.34447       4.168392  1491.479 55.29960 1540.027 53.46338 -48.54834      76.91800 
1 1 1 9   11 5  o 1566.428 39.06526 62.51152       3.097588  63.63441       4.376827  61.38470       4.384485  1580.620 54.69507 1552.235 55.79272 28.38550       78.13052 
1 1 1 9   11 6  o 2058.511 52.56000 108.1251       5.204324  106.7661       6.410527  110.7524       8.913354  2043.930 61.95039 2073.092 84.92564 -29.16211      105.1200 
1 1 1 9   11 7  o 1521.807 46.62761 58.89473       3.431222  61.05836       5.828044  57.74692       4.244881  1540.230 74.74010 1503.384 55.77145 36.84570       93.25522 
1 1 1 9   11 8  o 2315.328 57.74998 139.4464       6.385803  137.0674       10.97010  140.6657       7.853553  2291.313 94.56762 2339.344 66.31144 -48.03149      115.5000 
1 1 1 9   11 9  o 1288.618 38.12041 42.49879       2.485687  40.64989       3.473012  44.44055       3.559157  1259.750 54.45504 1317.487 53.36019 -57.73621      76.24081 
1 1 1 9   11 10 o 751.5090 53.44887 15.57941       1.822155  12.74356       3.128057  17.03594       2.241779  690.3085 91.78003 812.7094 54.80467 -122.4009      106.8977 
1 1 1 9   11 11 o 704.2526 55.54776 12.83732       1.722876  12.44583       2.007342  13.93244       3.357319  691.7001 57.85303 716.8050 94.84325 -25.10492      111.0955 
1 1 1 9   11 12 o 1136.885 37.62922 33.49792       2.163280  35.43684       3.066159  31.57616       3.052566  1170.364 51.74760 1103.406 54.64446 66.95801       75.25843 
1 1 1 9   11 13 o 612.6759 50.80416 10.66200       1.414820  11.98961       1.776813  8.361841       2.338764  676.8890 52.25351 548.4629 87.14252 128.4261       101.6083 
1 1 1 9   11 14 f 337.1806 70.00343 3.306940       1.279750  2.852421       1.777188  3.796467       1.844359  314.7426 99.56431 359.6185 98.43204 -44.87592      140.0069 
1 1 1 9   11 15 o 601.9394 66.66104 10.31876       1.817295  11.04379       3.271265  9.995118       2.185576  602.3263 111.3779 601.5525 73.27854 0.7738037      133.3221 
1 1 1 9   11 16 o 363.6035 76.15391 4.269508       1.468027  4.508329       1.755528  3.714159       2.677037  387.6206 91.01284 339.5863 122.1243 48.03436       152.3078 
1 1 1 9   11 17 o 193.4591 58.78711 0.3185652      1.055379  0.7861373      1.410621  -0.2759290     1.590597  205.6387 84.47231 181.2796 81.78096 24.35905       117.5742 
1 1 1 9   11 18 o 301.8148 66.44634 2.952899       1.160916  2.070793       1.610155  3.907887       1.675352  258.1366 94.43375 345.4929 93.50258 -87.35626      132.8927 
1 1 1 9   11 19 o 288.9662 67.01912 2.891162       1.370754  4.432611       1.719505  0.2037283      2.270428  365.0882 92.82372 212.8443 96.69543 152.2439       134.0382 
1 1 1 9   12 0  o 644.2628 75.20630 11.29600       2.305141  13.89906       3.166268  8.360278       3.362498  731.2892 87.24363 557.2365 122.5255 174.0527       150.4126 
1 1 1 9   12 1  o 2248.010 54.29869 127.9980       5.804154  125.6839       7.055067  132.8445       10.20985  2220.659 62.75316 2275.362 88.63088 -54.70288      108.5974 
1 1 1 9   12 2  o 2236.807 58.18484 129.6771       6.116282  132.3178       7.429846  124.1252       10.77294  2277.772 64.42966 2195.842 96.90573 81.93091       116.3697 
1 1 1 9   12 3  o 1569.645 47.10621 63.08736       3.494185  63.41813       4.247060  62.39445       6.147059  1578.477 53.14552 1560.813 77.79162 17.66357       94.21243 
1 1 1 9   12 4  o 889.8263 49.93238 20.49151       2.006691  20.63478       2.377282  20.13641       3.742656  898.6311 52.48172 881.0215 84.96258 17.60962       99.86476 
1 1 1 9   12 5  o 1734.863 49.12318 77.21741       4.110866  77.40509       5.098335  76.86864       6.950065  1741.159 57.83707 1728.567 79.41801 12.59216       98.24636 
1 1 1 9   12 6  o 1350.997 44.48247 46.04586       2.919509  44.12092       3.625111  49.59882       4.925031  1314.307 54.48048 1387.688 70.33234 -73.38062      88.96494 
1 1 1 9   12 7  f 233.3880 79.11158 1.315051       1.113908  0.000000       0.000000  1.315051       1.113908  ?        ?        233.3880 79.11158 ?              ?        
1 1 1 9   12 8  o 424.7955 49.77082 4.773062       1.031662  4.784684       1.497154  4.762554       1.423605  424.8504 72.18900 424.7407 68.53676 0.1097412      99.54165 
1 1 1 9   12 9  o 557.9364 42.49489 8.098741       1.179213  8.091238       1.620488  8.107186       1.719205  558.1233 58.20618 557.7495 61.92982 0.3738403      84.98978 
1 1 1 9   12 10 o 375.6276 64.99928 3.443293       1.157981  5.335470       2.133033  2.652602       1.378860  439.1772 98.37697 312.0780 84.97997 127.0992       129.9986 
1 1 1 9   12 11 f 427.6268 70.79186 5.975022       1.398649  6.872402       1.596358  3.010401       2.901527  509.9279 63.18900 345.3257 126.7008 164.6022       141.5837 
1 1 1 9   12 12 o 265.9449 55.08292 1.813476       0.9482172 3.286578       1.263077  -0.8884647E-01 1.435343  345.3221 74.43996 186.5677 81.21087 158.7544       110.1658 
1 1 1 9   12 13 o 288.4755 66.68053 2.195937       1.027430  2.075664       1.196003  2.534674       2.007143  272.9604 80.82673 303.9905 106.0765 -31.03006      133.3611 
1 1 1 9   12 14 f 274.8244 65.40411 1.722313       1.261233  3.636079       1.758106  -0.3068697     1.810345  350.6942 96.14986 198.9546 88.69045 151.7397       130.8082 
1 1 1 9   12 15 o 585.3659 54.79429 9.629452       1.540925  7.273386       2.117921  12.27937       2.246119  501.2855 86.58344 669.4464 67.17861 -168.1609      109.5886 
1 1 1 9   12 16 f 259.0718 67.98945 1.860579       1.187299  1.692738       1.642921  2.044062       1.717768  251.1120 94.72114 267.0316 97.56108 -15.91954      135.9789 
1 1 1 9   12 17 o 372.9948 67.44958 4.536104       1.289598  5.168031       1.808455  3.882311       1.839475  404.7144 90.52856 341.2752 100.0118 63.43915       134.8992 
1 1 1 9   12 18 o 312.3871 69.64133 3.335443       1.242011  3.849613       1.770192  2.836914       1.743060  335.9189 98.01562 288.8553 98.95758 47.06363       139.2827 
1 1 1 9   12 19 o 344.5164 84.64243 4.955216       1.810769  4.784120       2.791756  5.079469       2.379090  331.9721 123.8212 357.0608 115.4369 -25.08868      169.2849 
1 1 1 9   13 0  o 1226.151 45.91735 36.87381       2.590750  34.78923       3.048085  42.29937       4.917460  1169.215 51.49309 1283.087 76.03994 -113.8721      91.83469 
1 1 1 9   13 1  f 617.4790 61.52635 10.57462       1.497015  11.04619       1.701129  8.955714       3.151939  656.7802 51.57513 578.1777 111.7228 78.60248       123.0527 
1 1 1 9   13 2  o 873.3842 36.64271 19.54681       1.608071  20.79552       2.244643  18.23020       2.304865  902.6068 49.30736 844.1615 54.21749 58.44531       73.28542 
1 1 1 9   13 3  o 1196.586 36.26534 36.47640       2.196801  36.15467       3.085136  36.80731       3.128816  1191.254 51.15479 1201.918 51.41875 -10.66382      72.53069 
1 1 1 9   13 4  o 453.5962 74.86346 5.422646       1.659204  5.422646       1.659204  0.000000       0.000000  453.5962 74.86346 ?        ?        ?              ?        
1 1 1 9   13 5  f 357.2341 74.36837 3.404931       1.301274  3.404931       1.301274  0.000000       0.000000  357.2341 74.36837 ?        ?        ?              ?        
1 1 1 9   13 6  o 609.8711 49.11588 10.18557       1.383653  8.054021       2.249887  11.48211       1.754710  551.5289 83.16057 668.2134 52.28572 -116.6845      98.23175 
1 1 1 9   13 7  o 851.5987 37.93034 18.64063       1.626729  18.57870       2.278857  18.70496       2.322859  850.2552 53.20782 852.9421 54.07191 -2.686890      75.86069 
1 1 1 9   13 8  o 1298.981 38.24137 43.29340       2.513537  45.10910       3.567456  41.50347       3.542037  1326.332 53.12791 1271.630 55.01849 54.70215       76.48273 
1 1 1 9   13 9  o 1206.762 37.60319 37.44919       2.296265  38.80114       3.249547  36.10080       3.245275  1228.850 52.23245 1184.675 54.10888 44.17444       75.20638 
1 1 1 9   13 10 o 1019.664 50.84644 29.14900       2.376462  22.09169       3.967763  33.09693       2.967639  906.5151 87.54362 1132.813 51.74511 -226.2974      101.6929 
1 1 1 9   13 11 o 700.0122 41.88502 12.89586       1.464067  11.56380       2.059139  14.25774       2.082057  661.8679 62.18019 738.1566 56.13416 -76.28870      83.77004 
1 1 1 9   13 12 o 208.0421 55.42533 0.7709123      0.8927149 1.615310       1.106535  -0.8032736     1.510845  245.2556 78.66782 170.8285 78.09764 74.42706       110.8507 
1 1 1 9   13 13 o 212.2937 59.58730 0.6528118      0.9012656 0.2869307      1.085226  1.466079       1.617957  175.5370 73.27572 249.0504 93.98538 -73.51337      119.1746 
1 1 1 9   13 14 o 361.0504 61.50905 3.988223       1.160159  5.301688       1.556406  2.345866       1.740394  435.2821 73.22627 286.8188 98.85022 148.4634       123.0181 
1 1 1 9   13 15 o 463.9765 59.23115 6.379735       1.321565  5.427093       1.964655  7.167031       1.786037  423.2555 94.12019 504.6975 71.93542 -81.44196      118.4623 
1 1 1 9   13 16 o 426.5581 74.21770 5.667799       1.515276  7.126813       2.671693  4.975921       1.839803  454.9076 115.7286 398.2087 92.95134 56.69888       148.4354 
1 1 1 9   13 17 o 410.3413 94.00141 7.030706       2.224682  7.022418       2.860515  7.043393       3.539053  424.8100 124.7815 395.8726 140.6223 28.93741       188.0028 
1 1 1 9   13 18 o 394.1512 91.07984 5.118445       1.780981  5.118445       1.780981  0.000000       0.000000  394.1512 91.07984 ?        ?        ?              ?        
1 1 1 9   13 19 o 209.8151 69.97346 -0.4023846E-01 1.594971  -0.3491777     1.801849  1.078151       3.428297  178.9502 83.04959 240.6799 112.6406 -61.72971      139.9469 
1 1 1 9   14 0  f 1503.208 55.17676 57.99184       4.151131  56.79319       5.484934  59.59891       6.350999  1487.647 72.82623 1518.768 82.91103 -31.12109      110.3535 
1 1 1 9   14 1  o 1855.635 49.74294 87.93983       4.467551  89.65593       7.542603  87.01241       5.544857  1865.998 79.84110 1845.272 59.35350 20.72595       99.48588 
1 1 1 9   14 2  o 845.0311 46.72077 17.97357       1.817448  19.51032       3.370260  17.34344       2.158133  867.1470 77.58916 822.9152 52.06962 44.23181       93.44154 
1 1 1 9   14 3  o 961.9756 45.60275 21.86324       2.043831  29.18627       3.871207  19.03318       2.406570  1062.722 72.38313 861.2291 55.48989 201.4930       91.20551 
1 1 1 9   14 4  o 177.7357 58.41183 -0.6641917     0.8552729 -0.9143376     2.321971  -0.6249261     0.9199535 222.5510 99.73601 132.9203 60.83171 89.63071       116.8237 
1 1 1 9   14 5  o 694.5668 51.19252 12.39701       1.623974  12.12181       1.935767  13.05091       2.983940  685.6307 56.26316 703.5029 85.54037 -17.87213      102.3850 
1 1 1 9   14 6  o 1467.606 48.57090 58.19117       3.340869  48.13545       5.610288  63.71624       4.158606  1357.646 82.00842 1577.566 52.06868 -219.9202      97.14179 
1 1 1 9   14 7  o 874.8049 37.87871 19.70411       1.668987  19.68352       2.330596  19.72579       2.391176  874.5196 52.88854 875.0903 54.24010 -0.5707397     75.75742 
1 1 1 9   14 8  o 625.3075 41.00066 10.16518       1.282583  10.07788       1.836354  10.24834       1.792145  622.3836 58.98344 628.2313 56.96639 -5.847717      82.00132 
1 1 1 9   14 9  o 933.6783 37.72230 22.56548       1.775482  22.98787       2.517973  22.14779       2.503907  942.5341 52.98286 924.8225 53.70944 17.71161       75.44460 
1 1 1 9   14 10 o 327.8479 58.10514 2.985246       0.9626397 3.078698       1.371990  2.894631       1.351008  332.9220 81.95107 322.7737 82.39450 10.14825       116.2103 
1 1 1 9   14 11 o 472.1696 60.67713 6.448491       1.326382  5.455188       2.199452  7.016176       1.662753  433.1951 101.9792 511.1440 65.78064 -77.94897      121.3543 
1 1 1 9   14 12 o 279.3043 80.29343 2.198790       1.195869  2.198790       1.195869  0.000000       0.000000  279.3043 80.29343 ?        ?        ?              ?        
1 1 1 9   14 13 o 643.0385 50.20975 11.37677       1.591920  11.26834       2.404917  11.46134       2.123824  636.5668 76.13354 649.5103 65.48098 -12.94348      100.4195 
1 1 1 9   14 14 o 383.0177 73.83637 4.358938       1.393779  5.341451       2.488596  3.909896       1.682398  405.5357 115.5897 360.4997 91.90353 45.03595       147.6727 
1 1 1 9   14 15 o 361.8396 71.98170 4.484515       1.406205  3.042785       2.535464  5.124998       1.689932  308.7899 117.3820 414.8893 83.34830 -106.0994      143.9634 
1 1 1 9   14 16 o 223.3449 72.88271 -0.1352744     1.827228  -0.2897975     2.249441  0.1644629      3.132913  206.3299 94.68301 240.3599 110.8273 -34.02997      145.7654 
1 1 1 9   14 17 o 375.1489 84.76401 4.887296       1.572151  4.257732       1.761068  7.358407       3.489012  353.5179 95.94434 396.7798 139.7656 -43.26193      169.5280 
1 1 1 9   14 18 o 485.8555 65.13290 7.825792       1.493971  7.687145       1.885480  8.059680       2.448895  497.5692 77.36189 474.1418 104.8061 23.42740       130.2658 
1 1 1 9   15 0  o 395.2241 91.22746 4.090712       2.118428  4.738154       2.863022  3.307366       3.149204  418.3238 125.3261 372.1243 132.6015 46.19952       182.4549 
1 1 1 9   15 1  o 298.5892 71.37424 0.8871890      1.028813  4.721576       2.726514  0.2505997      1.110937  416.5833 121.6697 180.5951 74.65663 235.9883       142.7485 
1 1 1 9   15 2  o 789.5018 53.99713 16.24166       2.078897  16.29738       3.319188  16.20570       2.666754  788.0657 84.51170 790.9378 67.23491 -2.872070      107.9943 
1 1 1 9   15 3  o 252.3548 88.47656 1.489602       1.397146  0.000000       0.000000  1.489602       1.397146  ?        ?        252.3548 88.47656 ?              ?        
1 1 1 9   15 4  o 856.5609 82.89257 19.26511       3.549700  0.000000       0.000000  19.26511       3.549700  ?        ?        856.5609 82.89257 ?              ?        
1 1 1 9   15 5  o 352.2615 56.14946 3.402598       0.9622012 3.048759       1.533103  3.632559       1.235932  335.1785 88.89301 369.3444 68.62276 -34.16592      112.2989 
1 1 1 9   15 6  o 676.8447 53.16432 11.87060       1.594376  11.64903       1.868712  12.46345       3.056746  671.0558 55.50296 682.6337 90.69289 -11.57788      106.3286 
1 1 1 9   15 7  o 444.9679 65.13602 5.504712       1.287008  5.152855       2.454963  5.638064       1.511343  428.1931 111.9755 461.7426 66.57550 -33.54950      130.2720 
1 1 1 9   15 8  o 351.9163 54.10395 3.533196       0.9684374 1.777828       1.407452  5.111557       1.334604  264.1346 88.92966 439.6980 61.64791 -175.5635      108.2079 
1 1 1 9   15 9  o 386.8608 54.05457 4.092576       1.020297  3.457464       1.412857  4.784769       1.474982  353.3468 80.74412 420.3749 71.88863 -67.02814      108.1091 
1 1 1 9   15 10 o 476.2098 48.00992 6.131696       1.118030  6.240433       1.513666  6.001153       1.658509  482.7466 63.47242 469.6730 72.04902 13.07367       96.01984 
1 1 1 9   15 11 o 476.8461 59.77870 5.367959       1.251429  9.171990       2.558318  4.171434       1.434806  567.1826 92.26548 386.5096 76.03323 180.6729       119.5574 
1 1 1 9   15 12 o 247.7059 72.20764 1.070391       1.451348  1.374783       1.832148  0.5575974      2.378020  250.3887 98.52306 245.0231 105.5887 5.365631       144.4153 
1 1 1 9   15 13 o 502.5834 74.58141 8.509328       1.797575  10.33653       2.261806  5.376279       2.961729  606.8591 75.23096 398.3076 128.8016 208.5515       149.1628 
1 1 1 9   15 14 o 522.0729 75.92586 10.59575       1.770457  12.43705       2.043038  5.043399       3.547745  674.0999 60.50877 370.0460 139.2754 304.0539       151.8517 
1 1 1 9   15 15 o 474.9437 57.18273 6.763132       1.325447  6.878436       1.868104  6.646244       1.880890  480.1820 79.63462 469.7053 82.08401 10.47665       114.3655 
1 1 1 9   15 16 o 175.4282 53.66489 -0.9615476E-01 0.9622265 -1.479216      1.406841  1.119571       1.318991  140.9427 67.71027 209.9137 83.27666 -68.97092      107.3298 
1 1 1 9   15 17 o 211.1667 61.93062 0.7835836      1.287211  2.063211       1.454416  -3.841584      2.765098  250.5392 90.02479 171.7942 85.07141 78.74500       123.8612 
1 1 1 9   15 18 f 217.5835 64.62901 1.025098       1.131043  0.3858531      1.362840  2.439723       2.027365  178.7077 78.42429 256.4593 102.7486 -77.75154      129.2580 
1 1 1 9   16 0  o 976.5806 53.45222 25.05463       2.263655  25.27577       2.624055  24.41136       4.475463  992.2819 52.42011 960.8793 93.17024 31.40253       106.9044 
1 1 1 9   16 1  o 1458.696 46.87403 52.45711       3.213398  61.40141       5.925619  48.73104       3.824600  1538.668 76.06855 1378.723 54.79301 159.9447       93.74806 
1 1 1 9   16 2  o 1692.218 55.59366 74.11168       4.751652  80.25193       7.007228  68.88468       6.465159  1756.708 78.78854 1627.729 78.45371 128.9790       111.1873 
1 1 1 9   16 3  o 1195.975 43.31644 37.03872       2.506346  37.42195       3.138451  36.36401       4.164256  1208.553 51.29395 1183.397 69.81538 25.15576       86.63288 
1 1 1 9   16 4  o 839.9302 66.29050 18.35108       2.795978  0.000000       0.000000  18.35108       2.795978  ?        ?        839.9302 66.29050 ?              ?        
1 1 1 9   16 5  o 1272.255 70.80771 42.20541       4.542709  0.000000       0.000000  42.20541       4.542709  ?        ?        1272.255 70.80771 ?              ?        
1 1 1 9   16 6  o 746.7635 59.27518 14.65237       2.101271  14.12033       2.594514  15.66662       3.582229  732.5596 70.84115 760.9675 95.05640 -28.40796      118.5504 
1 1 1 9   16 7  o 942.8477 43.14903 22.65873       2.002502  25.73914       3.264521  20.80039       2.535578  991.1017 65.42863 894.5935 56.27122 96.50824       86.29807 
1 1 1 9   16 8  f 786.9747 44.52044 16.14350       1.717908  17.13797       2.772193  15.52351       2.188852  803.5648 68.80621 770.3846 56.51533 33.18011       89.04088 
1 1 1 9   16 9  o 803.9124 54.85108 17.37327       1.935753  17.86146       3.751510  17.19613       2.259829  798.5866 94.63066 809.2380 55.49416 -10.65143      109.7022 
1 1 1 9   16 10 o 891.3135 65.34351 24.39379       2.304257  26.46033       2.669071  18.34610       4.565956  1003.544 52.71862 779.0826 119.5820 224.4616       130.6870 
1 1 1 9   16 11 o 105.7698 52.19890 -2.099114      1.009776  -2.099114      1.009776  0.000000       0.000000  105.7698 52.19890 ?        ?        ?              ?        
1 1 1 9   16 12 o 328.6113 60.38961 3.473535       1.094057  1.557483       1.824228  4.549839       1.367234  254.0495 98.78458 403.1731 69.49265 -149.1235      120.7792 
1 1 1 9   16 13 o 566.2720 46.46147 8.890410       1.305407  8.342329       1.821524  9.469132       1.871748  547.0829 67.17699 585.4611 64.20221 -38.37817      92.92294 
1 1 1 9   16 14 o 257.8385 61.03818 1.950247       1.017532  0.8266592      1.518407  2.866121       1.370890  210.8089 87.22454 304.8680 85.40794 -94.05910      122.0764 
1 1 1 9   16 15 o 222.6376 62.68410 1.276866       1.040655  1.510855       1.660488  1.125514       1.335462  233.8353 93.22533 211.4399 83.82256 22.39536       125.3682 
1 1 1 9   16 16 o 316.2524 79.89493 3.739815       1.450757  3.587279       1.599713  4.446349       3.442891  322.6676 92.89774 309.8372 130.0108 12.83038       159.7899 
1 1 1 9   16 17 f 655.9060 58.45832 14.20163       1.736454  15.77535       2.206237  11.63973       2.814948  738.3544 59.52634 573.4576 100.6286 164.8969       116.9166 
1 1 1 9   16 18 o 282.0478 68.37700 2.980893       1.229843  4.571888       1.876505  1.782936       1.628305  337.5961 101.5348 226.4995 91.60967 111.0966       136.7540 
1 1 1 9   17 0  o 697.6824 41.59115 12.48337       1.436110  11.84033       1.865278  13.41940       2.250449  676.7480 54.91545 718.6167 62.47871 -41.86865      83.18230 
1 1 1 9   17 1  o 1106.509 59.96846 33.41035       3.181226  27.33154       4.983473  37.59108       4.132847  1010.310 98.69057 1202.708 68.15452 -192.3983      119.9369 
1 1 1 9   17 2  o 1543.436 57.68564 62.87299       4.460914  58.78905       6.586601  66.33368       6.063219  1491.699 87.60047 1595.172 75.07789 -103.4730      115.3713 
1 1 1 9   17 3  o 814.7708 42.78571 17.28309       1.723155  16.97309       2.673674  17.50333       2.253631  806.5227 66.05936 823.0189 54.39328 -16.49622      85.57142 
1 1 1 9   17 4  o 424.9759 55.73084 4.848823       1.148898  5.178532       1.734122  4.590880       1.533826  437.2783 81.32498 412.6735 76.22305 24.60486       111.4617 
1 1 1 9   17 5  o 861.8821 64.38246 20.38672       2.701786  23.18906       3.676075  17.09473       3.984316  934.7826 78.40067 788.9815 102.1457 145.8011       128.7649 
1 1 1 9   17 6  o 637.1017 50.47976 9.801021       1.466470  13.44344       2.838603  8.474974       1.712732  706.7463 80.78502 567.4571 60.55251 139.2892       100.9595 
1 1 1 9   17 7  o 603.4274 97.80539 10.23264       2.885664  10.23264       2.885664  0.000000       0.000000  603.4274 97.80539 ?        ?        ?              ?        
1 1 1 9   17 8  o 395.0699 71.79758 4.286372       1.383146  4.286372       1.383146  0.000000       0.000000  395.0699 71.79758 ?        ?        ?              ?        
1 1 1 9   17 9  o 242.4384 60.22253 1.523899       0.9187246 1.254345       1.412720  1.721446       1.209393  233.3839 87.87797 251.4928 82.36792 -18.10890      120.4451 
1 1 1 9   17 10 o 236.8177 56.00679 1.469016       0.7753474 1.805239       1.243226  1.255001       0.9918766 254.9271 83.51303 218.7084 74.64995 36.21867       112.0136 
1 1 1 9   17 11 o 269.5132 60.85782 2.100068       0.9458519 1.770814       1.378875  2.392682       1.299890  253.0343 87.94205 285.9922 84.14804 -32.95798      121.7156 
1 1 1 9   17 12 o 352.8312 84.45540 3.714587       1.488538  0.000000       0.000000  3.714587       1.488538  ?        ?        352.8312 84.45540 ?              ?        
1 1 1 9   17 13 o 406.7246 80.58450 4.838937       1.452428  4.186207       1.616214  7.578620       3.311174  368.5775 87.85637 444.8718 135.1174 -76.29434      161.1690 
1 1 1 9   17 14 o 332.3405 54.78091 2.926150       1.126926  6.924359       1.753540  0.1129926      1.470889  482.4921 74.16012 182.1889 80.64782 300.3031       109.5618 
1 1 1 9   17 15 o 201.5746 57.73126 0.8821262      0.9932472 -0.3903496     1.619196  1.649804       1.257662  172.7320 79.65538 230.4172 83.58596 -57.68515      115.4625 
1 1 1 9   17 16 o 285.5638 65.68533 2.913958       1.125112  2.163080       1.624509  3.606175       1.559762  250.2754 94.23576 320.8524 91.53070 -70.57700      131.3707 
1 1 1 9   17 17 o 173.4971 58.58738 -0.8402076     1.401397  -1.787043      2.469103  -0.3902432     1.702123  176.3249 85.88495 170.6693 79.71009 5.655624       117.1748 
1 1 1 9   18 0  o 898.2074 57.39970 22.06915       2.452850  18.72340       3.924693  24.21361       3.142094  832.7971 94.77370 963.6177 64.78310 -130.8206      114.7994 
1 1 1 9   18 1  o 493.2920 45.62831 6.309535       1.097925  5.771888       1.421494  7.104549       1.728558  468.2161 61.45134 518.3679 67.46485 -50.15179      91.25663 
1 1 1 9   18 2  o 94.83519 45.91129 -1.100853      0.6777937 0.000000       0.000000  -1.100853      0.6777937 ?        ?        94.83519 45.91129 ?              ?        
1 1 1 9   18 3  o 1184.008 54.28558 36.23804       3.254038  0.000000       0.000000  36.23804       3.254038  ?        ?        1184.008 54.28558 ?              ?        
1 1 1 9   18 4  o 664.1785 56.75184 12.26419       1.598616  11.02345       3.086976  12.71886       1.868706  629.2488 100.2657 699.1082 53.19662 -69.85944      113.5037 
1 1 1 9   18 5  o 244.1552 65.17419 1.326396       1.135523  2.056231       1.237813  -2.549954      2.852688  274.3291 82.45515 213.9813 100.9547 60.34773       130.3484 
1 1 1 9   18 6  o 361.5486 83.81723 3.495209       1.666153  2.864115       1.999247  4.930159       3.014655  319.8581 105.9583 403.2392 129.9005 -83.38107      167.6345 
1 1 1 9   18 7  o 366.9888 74.70853 2.689952       1.147460  1.983441       1.242956  6.764998       2.985125  267.5553 83.06139 466.4223 124.2025 -198.8669      149.4171 
1 1 1 9   18 8  o 141.4138 44.11716 -0.2642268     0.6424167 -1.044999      1.038191  0.2202172      0.8177810 129.0895 60.90325 153.7382 63.84426 -24.64865      88.23432 
1 1 1 9   18 9  o 288.0717 58.21339 2.358930       0.8937793 2.860956       1.337935  1.954342       1.201098  313.7160 82.96668 262.4274 81.68064 51.28854       116.4268 
1 1 1 9   18 10 o 358.2583 54.08463 3.732613       0.9504606 4.171021       1.304103  3.235884       1.388138  384.9768 69.46633 331.5398 82.91572 53.43698       108.1693 
1 1 1 9   18 11 o 495.4280 55.99860 7.114609       1.311144  7.067412       2.130369  7.143388       1.663523  485.1938 90.04249 505.6622 66.60124 -20.46838      111.9972 
1 1 1 9   18 12 o 535.8237 65.08928 8.073988       1.729435  0.000000       0.000000  8.073988       1.729435  ?        ?        535.8237 65.08928 ?              ?        
1 1 1 9   18 13 o 205.4113 65.34644 0.5245471E-01  1.199740  -0.3042439     1.368044  1.240473       2.496668  165.6395 75.17649 245.1832 106.9071 -79.54372      130.6929 
1 1 1 9   18 14 o 277.0823 65.08207 2.647400       1.107834  1.883937       1.639076  3.289496       1.503159  242.9166 93.86444 311.2481 90.17854 -68.33147      130.1641 
1 1 1 9   18 15 o 326.8649 81.60123 4.445150       1.583292  4.272464       1.781901  5.092843       3.450959  341.5060 97.96483 312.2237 130.5294 29.28232       163.2025 
1 1 1 9   18 16 o 274.9178 63.14786 2.560254       1.092840  1.235488       1.464332  4.225744       1.641879  208.2584 85.86721 341.5773 92.61442 -133.3189      126.2957 
1 1 1 9   18 17 o 215.1339 66.64236 -0.7662990     1.327929  5.119870       2.598524  -2.846835      1.544891  307.3714 118.3489 122.8964 61.30541 184.4750       133.2847 
1 1 1 9   19 0  o 808.5811 98.52433 18.04811       3.949819  18.04811       3.949819  0.000000       0.000000  808.5811 98.52433 ?        ?        ?              ?        
1 1 1 9   19 1  o 580.7683 55.73880 8.834696       1.618738  0.000000       0.000000  8.834696       1.618738  ?        ?        580.7683 55.73880 ?              ?        
1 1 1 9   19 2  o 700.6597 57.58874 12.91929       1.822484  12.38684       2.156092  14.25170       3.410743  684.9626 62.87709 716.3567 96.50039 -31.39410      115.1775 
1 1 1 9   19 3  o 456.5314 85.38663 6.203542       2.132624  3.507977       2.988328  9.001260       3.044425  356.8015 128.9345 556.2614 111.9795 -199.4599      170.7733 
1 1 1 9   19 4  o 387.2350 48.27686 4.087360       0.9097193 3.639143       1.275127  4.551988       1.298260  363.7573 71.78914 410.7128 64.56733 -46.95557      96.55372 
1 1 1 9   19 5  o 190.8326 51.41622 0.4935964      0.6532726 1.410925       1.211227  0.1172802      0.7757818 235.5599 82.39136 146.1053 61.53189 89.45462       102.8324 
1 1 1 9   19 6  o 541.8177 61.44775 8.247793       1.407055  8.419286       2.795342  8.189597       1.628387  530.3635 107.7812 553.2721 59.04679 -22.90863      122.8955 
1 1 1 9   19 7  o 960.2272 57.23584 27.45731       2.400190  21.15800       4.257130  30.39285       2.906122  847.7012 101.1954 1072.753 53.50945 -225.0520      114.4717 
1 1 1 9   19 8  o 398.5993 71.04286 5.909892       1.461479  6.913959       1.629674  1.784981       3.303137  501.1962 65.81710 296.0024 125.9224 205.1938       142.0857 
1 1 1 9   19 9  o 322.0450 54.31676 2.949718       0.8640944 3.509104       1.353962  2.565318       1.122385  346.6233 78.92366 297.4668 74.64783 49.15656       108.6335 
1 1 1 9   19 10 o 225.9898 52.54510 1.030945       0.8203748 2.665153       1.228117  -0.2858316     1.102407  299.2871 79.65043 152.6925 68.55478 146.5946       105.0902 
1 1 1 9   19 11 f 580.1870 50.64695 9.721421       1.401726  9.368564       2.255351  9.943509       1.789273  561.3648 81.75809 599.0093 59.80023 -37.64447      101.2939 
1 1 1 9   19 12 o 293.9379 68.10152 3.074259       1.344576  0.6027518      2.493116  4.087976       1.596688  230.6725 103.3630 357.2033 88.69806 -126.5308      136.2030 
1 1 1 9   19 13 o 356.8675 80.36847 4.058939       1.417111  4.058939       1.417111  0.000000       0.000000  356.8675 80.36847 ?        ?        ?              ?        
1 1 1 9   19 14 o 234.4616 61.95747 1.859652       1.003820  1.146131       1.866059  2.150206       1.190791  215.5785 93.21554 253.3446 81.64422 -37.76611      123.9149 
1 1 1 9   19 15 o 238.0838 64.94548 2.017856       1.173072  0.9919929      1.953591  2.596318       1.466986  209.7696 92.89585 266.3980 90.78558 -56.62842      129.8910 
1 1 1 9   19 16 o 236.9562 64.14104 1.863698       1.130646  0.6974171      1.485986  3.467196       1.742398  185.6086 81.66110 288.3039 98.93309 -102.6953      128.2821 
1 1 1 9   20 0  o 285.0635 123.6812 0.6341007      3.307642  0.000000       0.000000  0.6341007      3.307642  ?        ?        285.0635 123.6812 ?              ?        
1 1 1 9   20 1  o 840.0148 41.46798 18.68383       1.718511  18.41461       2.689647  18.86956       2.233978  831.2590 64.41390 848.7706 52.24195 -17.51160      82.93595 
1 1 1 9   20 2  o 311.6428 45.82793 2.599503       0.6976351 1.983709       0.9203129 3.431363       1.069653  267.5909 67.83986 355.6946 61.63239 -88.10373      91.65586 
1 1 1 9   20 3  o 196.2598 58.27992 0.4117893      0.9565603 -4.141410      2.680016  1.076524       1.024008  181.7979 88.75387 210.7216 75.55757 -28.92369      116.5598 
1 1 1 9   20 4  o 316.7667 69.07784 2.830893       1.062117  2.849750       2.433701  2.826457       1.180467  317.3140 116.0962 316.2194 74.89108 1.094666       138.1557 
1 1 1 9   20 5  o 439.6180 44.33284 5.270392       0.9583316 5.234604       1.371482  5.304539       1.339650  437.6084 63.77938 441.6277 61.59377 -4.019226      88.66568 
1 1 1 9   20 6  o 543.5426 75.05321 10.97574       1.554392  12.16724       1.728536  5.940209       3.553482  677.0898 50.79549 409.9954 141.2507 267.0944       150.1064 
1 1 1 9   20 7  o 205.6111 59.24551 -0.5829996     0.6077386 3.139862       2.138910  -0.9099515     0.6338637 317.6174 109.5779 93.60482 45.08661 224.0126       118.4910 
1 1 1 9   20 8  o 528.2316 70.28564 7.403758       1.470457  6.603855       1.625124  11.01619       3.453566  484.8238 68.08613 571.6394 122.9820 -86.81564      140.5713 
1 1 1 9   20 9  o 452.5713 53.50810 5.953398       1.172044  4.882691       1.625361  7.113249       1.691669  404.2611 82.21492 500.8814 68.50675 -96.62030      107.0162 
1 1 1 9   20 10 o 573.0844 53.17773 9.841834       1.426387  8.345824       2.251264  10.84518       1.843673  520.9286 88.53011 625.2401 58.93982 -104.3115      106.3555 
1 1 1 9   20 11 o 216.3319 57.26650 1.297632       0.8398499 1.261091       1.305017  1.323466       1.097269  216.9015 83.77077 215.7624 78.10419 1.139099       114.5330 
1 1 1 9   20 12 o 375.3671 54.85716 4.431857       1.001229  4.426070       1.514202  4.436352       1.334638  369.8113 82.92284 380.9229 71.84033 -11.11151      109.7143 
1 1 1 9   20 13 o 156.5225 47.91226 0.2606127      0.6982242 0.1577433      1.040069  0.3450090      0.9420650 155.5643 68.38352 157.4807 67.12700 -1.916367      95.82452 
1 1 1 9   20 14 o 142.0139 46.96294 -0.4662591     0.7636966 -0.2265180     1.390905  -0.5697269     0.9137530 160.3430 73.90181 123.6847 57.97062 36.65821       93.92588 
1 1 1 9   20 15 o 299.0439 64.28815 3.775312       1.268854  1.532196       2.061988  5.142332       1.609710  217.5103 95.92452 380.5774 85.61749 -163.0670      128.5763 
1 1 1 9   21 0  o 299.6302 66.65339 2.504095       0.9849889 0.000000       0.000000  2.504095       0.9849889 ?        ?        299.6302 66.65339 ?              ?        
1 1 1 9   21 1  o 207.4427 58.52016 0.9097505      0.7989802 -1.744062      2.461592  1.222256       0.8447142 201.6228 94.70682 213.2626 68.76812 -11.63985      117.0403 
1 1 1 9   21 2  o 679.1920 38.12195 12.29877       1.296979  12.71919       1.797675  11.84235       1.873057  692.7494 51.62744 665.6346 56.10472 27.11481       76.24390 
1 1 1 9   21 3  o 694.1254 62.58580 13.41203       1.979205  15.25559       3.629887  12.63204       2.361054  711.5734 103.8173 676.6774 69.92782 34.89606       125.1716 
1 1 1 9   21 4  o 490.6186 89.10658 8.250609       2.366266  11.30906       3.325081  5.112426       3.368146  598.4352 113.9104 382.8020 137.0560 215.6332       178.2132 
1 1 1 9   21 5  o 375.6693 69.83836 2.415565       0.9361526 8.340966       2.978969  1.766278       0.9861100 503.0047 118.8639 248.3339 73.35505 254.6707       139.6767 
1 1 1 9   21 6  o 148.6928 43.23214 0.1000009      0.5358265 0.7177569      0.8449744 -0.3154961     0.6929773 179.1389 67.84337 118.2466 53.60364 60.89236       86.46429 
1 1 1 9   21 7  o 203.2782 49.82860 1.039648       0.6226459 1.497446       0.9859777 0.7359812      0.8030253 229.0274 74.34077 177.5291 66.37022 51.49832       99.65720 
1 1 1 9   21 8  f 333.0383 73.59341 3.184762       1.067591  4.559569       2.961531  2.979422       1.144545  348.2862 127.9714 317.7903 72.71378 30.49585       147.1868 
1 1 1 9   21 9  o 571.7159 47.72175 9.446543       1.338151  10.02125       1.814361  8.761058       1.981531  597.2155 60.85838 546.2163 73.52360 50.99921       95.44350 
1 1 1 9   21 10 o 399.7354 58.54845 4.966528       1.134222  5.444050       1.757978  4.626006       1.484534  412.4032 86.93896 387.0677 78.44300 25.33551       117.0969 
1 1 1 9   21 11 o 411.4667 51.30234 5.193902       1.027310  5.805110       1.498357  4.651712       1.411227  437.0457 70.08670 385.8878 74.93714 51.15787       102.6047 
1 1 1 9   21 12 o 441.1837 51.65368 6.137866       1.104120  7.184052       1.591619  5.167378       1.532956  485.2002 66.54706 397.1671 79.01836 88.03317       103.3074 
1 1 1 9   21 13 o 294.6837 67.92901 3.556068       1.160103  3.078980       2.536529  3.682261       1.304539  259.7104 110.4119 329.6570 79.16195 -69.94669      135.8580 
1 1 1 9   21 14 o 241.2899 69.79211 2.447560       1.350286  2.689392       1.461252  1.034262       3.532525  262.2126 90.56487 220.3673 106.2156 41.84528       139.5842 
1 1 1 9   21 15 o 184.1940 54.81927 0.9076420      0.9281907 -0.3031385E-01 1.384278  1.673826       1.251119  157.1914 72.89539 211.1967 81.89548 -54.00529      109.6385 
1 1 1 9   22 0  o 526.6771 74.22556 10.94303       1.670940  4.596607       3.500771  12.81546       1.901524  362.9998 137.9431 690.3544 54.85822 -327.3546      148.4511 
1 1 1 9   22 1  o 334.4777 71.07775 3.484335       1.089755  2.898870       3.001677  3.573217       1.169553  313.0935 125.1704 355.8619 67.38372 -42.76834      142.1555 
1 1 1 9   22 2  o 205.5708 59.61532 0.8881673      0.7892849 -2.244564      2.837955  1.150796       0.8217035 205.3996 97.99478 205.7419 67.91885 -0.3422852     119.2306 
1 1 1 9   22 3  o 694.9625 52.06632 12.78381       1.622161  15.97208       3.169387  11.65215       1.888227  735.8049 86.74765 654.1201 57.60600 81.68481       104.1326 
1 1 1 9   22 4  o 293.5836 121.2713 2.439351       2.928080  2.439351       2.928080  0.000000       0.000000  293.5836 121.2713 ?        ?        ?              ?        
1 1 1 9   22 5  o 185.4583 63.96843 -3.496297      1.953092  -4.648810      2.711187  -2.252976      2.815971  170.2375 84.28940 200.6791 96.24519 -30.44154      127.9369 
1 1 1 9   22 6  o 202.9193 59.41490 0.8165064      0.7199172 0.2889456      2.291071  0.8743039      0.7583281 222.3948 99.41007 183.4437 65.10115 38.95111       118.8298 
1 1 1 9   22 7  o 150.7784 43.37928 0.2751941      0.5067102 0.6857424      0.8458111 0.4536211E-01  0.6328438 174.7154 67.45098 126.8414 54.56569 47.87403       86.75857 
1 1 1 9   22 8  o 209.2396 60.00905 1.075418       0.8663935 -0.2834255     2.353346  1.288468       0.9318415 207.3261 95.75605 211.1531 72.35414 -3.826965      120.0181 
1 1 1 9   22 9  o 200.1885 64.43066 0.3087282      1.103754  0.2413167      1.204437  0.6621147      2.757669  170.2173 74.23579 230.1597 105.3294 -59.94243      128.8613 
1 1 1 9   22 10 o 288.1600 56.67810 2.682427       0.8493500 3.323481       1.333533  2.244877       1.101718  314.8483 82.62162 261.4717 77.60989 53.37653       113.3562 
1 1 1 9   22 11 o 178.8337 50.35748 0.8051814      0.7245194 0.2912650E-01  1.210709  1.238148       0.9043174 158.2503 71.37460 199.4171 71.05752 -41.16681      100.7150 
1 1 1 9   22 12 o 278.8655 56.20239 2.600534       0.8620654 3.916973       1.341119  1.673605       1.125357  337.3630 79.77518 220.3681 79.18811 116.9949       112.4048 
1 1 1 9   22 13 o 214.9600 61.47635 1.698956       1.067854  -0.6859047E-05 2.558771  2.057260       1.175075  192.8159 92.28085 237.1040 81.25031 -44.28809      122.9527 
1 1 1 9   22 14 o 197.3658 63.83838 1.196406       1.336221  1.461876       1.446178  -0.3528635     3.493637  200.9464 84.28730 193.7852 95.90102 7.161209       127.6768 
1 1 1 9   23 0  o 405.4372 70.06232 3.524243       1.015003  8.637663       3.033599  2.879641       1.077081  496.0804 121.7049 314.7940 69.44662 181.2864       140.1246 
1 1 1 9   23 1  o 371.0113 90.79616 5.292794       2.458986  7.957305       3.166027  1.241800       3.903792  462.4810 129.8755 279.5415 126.9178 182.9395       181.5923 
1 1 1 9   23 2  o 338.0923 68.05489 4.147465       1.144050  1.875491       3.161273  4.489865       1.227233  277.6777 120.6954 398.5070 62.91653 -120.8293      136.1098 
1 1 1 9   23 3  o 520.8369 70.92085 9.058623       1.166446  8.147122       3.349353  9.184434       1.244344  453.9956 135.4491 587.6782 42.10218 -133.6826      141.8417 
1 1 1 9   23 4  o 436.3410 93.47977 7.880349       2.348766  6.202470       3.715324  8.997332       3.031375  374.9321 142.1962 497.7499 121.3841 -122.8178      186.9595 
1 1 1 9   23 5  o 371.6869 129.8371 5.670117       3.007411  5.670117       3.007411  0.000000       0.000000  371.6869 129.8371 ?        ?        ?              ?        
1 1 1 9   23 6  o 359.0587 88.08749 5.296112       1.938927  5.337707       2.343323  5.205814       3.452660  377.9002 113.4200 340.2171 134.8092 37.68304       176.1750 
1 1 1 9   23 7  o 200.7174 62.56624 0.4403271      0.6007206 2.209269       2.618008  0.3420151      0.6171880 261.2786 111.6503 140.1563 56.50095 121.1223       125.1325 
1 1 1 9   23 8  o 205.8422 49.84964 1.297601       0.6707383 0.5526093      1.111338  1.724463       0.8412289 175.1971 73.70798 236.4874 67.13477 -61.29028      99.69927 
1 1 1 9   23 9  o 224.2181 71.67805 0.8619434      1.120558  0.4956481      1.185763  3.920371       3.426348  173.0534 74.56759 275.3828 122.4363 -102.3293      143.3561 
1 1 1 9   23 10 o 219.8621 54.74750 1.622534       0.7436481 1.766351       1.201522  1.533237       0.9467766 224.6476 81.66753 215.0767 72.93537 9.570892       109.4950 
1 1 1 9   23 11 o 362.9459 56.10419 4.538642       0.9957554 4.829659       1.510443  4.314943       1.324273  368.6879 82.93029 357.2039 75.58629 11.48395       112.2084 
1 1 1 9   23 12 o 197.8373 49.25022 0.7807311      0.7340028 2.668491       1.151438  -0.5114988     0.9526584 270.7739 79.06306 124.9008 58.74836 145.8731       98.50044 
1 1 1 9   23 13 o 174.3525 51.75698 0.8834749      0.7794344 0.6178961      1.195531  1.079811       1.027930  166.8954 73.34152 181.8096 73.04902 -14.91422      103.5140 
1 1 1 9   24 0  o 302.1248 74.48783 2.047147       0.9189197 5.598403       3.010402  1.682254       0.9649753 367.5416 129.7872 236.7080 73.13710 130.8336       148.9757 
1 1 1 9   24 1  o 328.0858 64.59650 4.270178       1.164315  0.5852183      3.257020  4.810076       1.246695  246.2334 113.3400 409.9382 62.00710 -163.7048      129.1930 
1 1 1 9   24 2  o 466.8867 73.49210 7.369925       1.315206  7.714780       3.293372  7.304493       1.434563  423.2707 135.7119 510.5028 56.45037 -87.23218      146.9842 
1 1 1 9   24 3  o 275.4226 84.80139 2.454598       2.241345  3.144254       3.045485  1.639662       3.310564  289.9469 122.0026 260.8983 117.8155 29.04868       169.6028 
1 1 1 9   24 4  o 324.7127 89.16694 3.810398       2.165698  7.897624       3.549535  1.386548       2.733443  404.4914 141.0684 244.9340 109.0993 159.5574       178.3339 
1 1 1 9   24 5  o 444.0652 83.62315 8.111749       2.231030  13.02809       3.266088  3.810907       3.054805  592.0356 113.0913 296.0948 123.2140 295.9409       167.2463 
1 1 1 9   24 6  o 194.7766 56.02687 0.9533761      0.6229955 -0.1521660     2.423222  1.031621       0.6446649 202.0743 94.61340 187.4788 60.03619 14.59544       112.0537 
1 1 1 9   24 7  o 395.7343 70.85462 6.665272       1.401763  5.134254       3.009912  7.089305       1.584031  310.6376 124.9331 480.8310 66.88216 -170.1934      141.7092 
1 1 1 9   24 8  o 220.6601 50.25444 1.687053       0.7134092 0.6525454      1.211191  2.236634       0.8827985 176.6597 75.72780 264.6604 66.08582 -88.00073      100.5089 
1 1 1 9   24 9  o 186.7144 61.87492 0.3851086      0.7246150 2.575691       3.030580  0.2522807      0.7462605 234.9115 108.5555 138.5173 59.41155 96.39424       123.7498 
1 1 1 9   24 10 o 159.1301 48.51176 0.4200642      0.6889442 0.8633095      1.130954  0.1585270      0.8687395 177.7331 74.54320 140.5270 62.10374 37.20613       97.02351 
1 1 1 9   24 11 o 281.3131 56.62831 2.934851       0.9073476 4.329662       1.346290  1.774014       1.228193  347.3907 78.40854 215.2354 81.72615 132.1553       113.2566 
1 1 1 9   24 12 o 204.9194 53.17081 1.475020       0.8414557 0.1735285      1.235005  2.602686       1.149578  152.9407 70.17338 256.8981 79.90144 -103.9574      106.3416 
1 1 1 9   25 0  o 257.4106 83.16907 1.933364       2.389432  1.774592       3.096156  2.167188       3.757346  251.6410 113.7581 263.1801 121.3568 -11.53912      166.3381 
1 1 1 9   25 1  o 338.3022 91.04430 5.786136       2.597495  8.437263       3.297638  1.452423       4.216166  421.0524 135.8838 255.5519 121.2099 165.5004       182.0886 
1 1 1 9   25 2  o 306.4347 91.23684 4.806668       2.497443  5.643149       3.219893  3.543544       3.956728  333.3318 130.7855 279.5376 127.2469 53.79416       182.4737 
1 1 1 9   25 3  o 351.6204 93.04368 6.896847       2.604283  9.247400       3.361320  3.366845       4.119195  431.3735 136.9779 271.8672 125.9586 159.5063       186.0874 
1 1 1 9   25 4  o 226.7486 74.59722 -0.7734953E-01 1.978484  4.218640       3.351593  -2.375031      2.451120  284.0172 123.8521 169.4801 83.18431 114.5371       149.1944 
1 1 1 9   25 5  o 259.5816 79.32083 3.124790       1.908561  3.147816       2.682673  3.101192       2.715859  260.2668 112.1532 258.8964 112.2000 1.370422       158.6417 
1 1 1 9   25 6  o 219.9419 100.6459 1.561066       2.517239  1.561066       2.517239  0.000000       0.000000  219.9419 100.6459 ?        ?        ?              ?        
1 1 1 9   25 7  o 146.2771 47.26891 0.2779918      0.5420277 -4.798697      2.854780  0.4678474      0.5520700 153.3509 77.39957 139.2033 54.28356 14.14755       94.53782 
1 1 1 9   25 8  o 164.3617 46.28943 0.5923797      0.5608249 1.321903       0.9698921 0.2259387      0.6873943 196.4354 73.03864 132.2880 56.88763 64.14743       92.57886 
1 1 1 9   25 9  o 190.5063 53.69579 1.287337       0.8479605 -3.574019      3.031865  1.699873       0.8832071 161.3265 81.21622 219.6862 70.26291 -58.35968      107.3916 
1 1 1 9   25 10 o 140.2069 49.66558 -0.8507620     0.8938318 -0.6244298     0.9313885 -3.488647      3.179697  118.3481 56.37341 162.0658 81.78458 -43.71770      99.33115 
1 1 1 9   25 11 o 159.0319 48.99226 0.5281460      0.7466867 1.191162       1.132938  0.1897970E-01  0.9928279 181.3403 75.21313 136.7235 62.80090 44.61679       97.98453 
1 1 1 9   26 0  o 349.8815 70.42211 5.389725       1.306163  4.571284       3.243248  5.548170       1.427006  281.4938 122.3020 418.2693 69.85201 -136.7755      140.8442 
1 1 1 9   26 1  o 212.5492 55.14214 1.456321       0.5933672 -0.7758876     3.104024  1.540985       0.6045151 198.1013 96.44902 226.9971 53.48092 -28.89587      110.2843 
1 1 1 9   26 2  f 212.9356 57.19123 1.610758       0.8193002 -1.880921      3.202308  1.855323       0.8475075 187.2612 92.51573 238.6099 67.26207 -51.34874      114.3825 
1 1 1 9   26 3  o 307.4294 130.0267 6.822534       3.488076  6.822534       3.488076  0.000000       0.000000  307.4294 130.0267 ?        ?        ?              ?        
1 1 1 9   26 4  o 250.7495 81.08253 3.550328       2.236163  6.107196       3.605218  1.951586       2.850800  280.6379 125.1271 220.8611 103.1538 59.77676       162.1651 
1 1 1 9   26 5  o 157.6297 78.98564 -3.232185      2.697604  -3.232185      2.697604  0.000000       0.000000  157.6297 78.98564 ?        ?        ?              ?        
1 1 1 9   26 6  o 208.8430 97.79230 1.761868       2.589892  1.761868       2.589892  0.000000       0.000000  208.8430 97.79230 ?        ?        ?              ?        
1 1 1 9   26 7  o 303.3365 67.45934 3.126320       1.009190  0.000000       0.000000  3.126320       1.009190  ?        ?        303.3365 67.45934 ?              ?        
1 1 1 9   26 8  o 220.0416 60.40234 2.200906       1.018118  2.433407       1.119416  1.087879       2.449246  248.4000 79.06629 191.6831 91.33614 56.71686       120.8047 
1 1 1 9   26 9  f 228.5338 51.84683 1.888736       0.7130129 2.996950       1.110881  1.112347       0.9298130 279.1661 76.38395 177.9016 70.12752 101.2645       103.6937 
1 1 1 9   26 10 o 205.4552 67.72024 1.696172       1.128831  1.155065       1.181300  7.384695       3.830172  175.2595 74.94832 235.6510 112.8134 -60.39143      135.4405 
1 1 1 9   27 0  o 339.3056 62.11142 4.117291       1.067356  6.815362       1.846009  2.762311       1.308199  417.7292 89.94830 260.8820 85.67740 156.8472       124.2228 
1 1 1 9   27 1  o 205.2669 58.11970 1.657097       0.9205170 -1.118718      3.208157  1.906130       0.9609224 181.5930 90.21803 228.9408 73.29602 -47.34773      116.2394 
1 1 1 9   27 2  o 157.7005 52.90986 0.3306491      0.5478006 -0.3223884     3.092371  0.3518058      0.5566035 185.4295 91.48167 129.9714 53.18755 55.45810       105.8197 
1 1 1 9   27 3  o 213.4335 73.58087 2.542810       2.657739  3.920173       3.433371  0.4835043      4.198139  229.1472 108.8887 197.7197 98.99409 31.42749       147.1617 
1 1 1 9   27 4  o 159.0966 80.69299 -4.298376      3.374822  -4.298376      3.374822  0.000000       0.000000  159.0966 80.69299 ?        ?        ?              ?        
1 1 1 9   27 5  o 189.0067 91.23682 0.9953331      2.630660  0.9953331      2.630660  0.000000       0.000000  189.0067 91.23682 ?        ?        ?              ?        
1 1 1 9   27 6  o 166.1581 82.55293 -1.061844      2.687176  0.000000       0.000000  -1.061844      2.687176  ?        ?        166.1581 82.55293 ?              ?        
1 1 1 9   27 7  o 208.7358 99.48822 3.081666       2.910037  0.000000       0.000000  3.081666       2.910037  ?        ?        208.7358 99.48822 ?              ?        
1 1 1 9   27 8  o 158.8987 55.44765 0.1498791      0.6643332 3.212783       3.074396  -0.1422711E-03 0.6804082 200.8925 97.38728 116.9048 53.04229 83.98770       110.8953 
1 1 1 9   27 9  o 141.2353 43.31516 0.2899699      0.5911056 1.196443       0.9237956 -0.3384664     0.7691818 172.6611 69.29355 109.8095 51.99244 62.85156       86.63031 
1 1 1 9   28 0  o 202.1351 59.34075 1.811106       0.9857746 1.720916       1.835023  1.847692       1.168734  195.3093 88.00011 208.9609 79.63214 -13.65160      118.6815 
1 1 1 9   28 1  o 145.4616 55.50847 -0.7055197     0.3886682 4.443191       3.112156  -0.7870954     0.3917351 226.0169 106.2690 64.90625 32.11958 161.1106       111.0169 
1 1 1 9   28 2  o 174.1576 54.59029 0.9759467      0.7726760 -0.4976234     3.216218  1.066206       0.7959884 174.0272 87.06016 174.2880 65.88570 -0.2607880     109.1806 
1 1 1 9   28 3  o 171.1205 61.23965 -1.495575      2.573184  -2.186358      3.346307  -0.4961494     4.025040  163.5989 82.70223 178.6422 90.34112 -15.04337      122.4793 
1 1 1 9   28 4  o 198.4915 98.19358 3.061022       3.650112  3.061022       3.650112  0.000000       0.000000  198.4915 98.19358 ?        ?        ?              ?        
1 1 1 9   28 5  o 206.9950 69.50275 3.398505       2.037222  4.937418       2.773240  1.594593       3.002536  230.2389 105.4613 183.7511 90.55624 46.48776       139.0055 
1 1 1 9   28 6  o 154.1797 77.71494 -1.456879      2.824046  0.000000       0.000000  -1.456879      2.824046  ?        ?        154.1797 77.71494 ?              ?        
1 1 1 9   28 7  o 203.9791 70.31434 5.512197       2.384533  4.331141       3.508005  6.526603       3.251106  190.6005 94.63276 217.3576 104.0244 -26.75710      140.6287 
1 1 1 9   29 0  o 159.7113 50.46840 0.7978733      0.8512286 0.3603633      1.297077  1.128850       1.128159  149.4772 69.73524 169.9453 72.97421 -20.46811      100.9368 
1 1 1 9   29 1  o 191.7226 60.37515 1.722004       0.9646559 3.727119       3.301044  1.534786       1.008686  194.9977 95.87587 188.4475 73.40607 6.550171       120.7503 
1 1 1 9   29 2  o 159.0973 56.04824 0.2794529      0.6859910 4.951921       3.716017  0.1146040      0.6979873 197.8834 98.10306 120.3112 54.23479 77.57220       112.0965 
1 1 1 9   29 3  o ?        ?        -1.731592      3.581192  -1.731592      3.581192  0.000000       0.000000  ?        ?        ?        ?        ?              ?        
1 1 1 9   29 4  o 212.6375 104.7540 8.920806       4.005749  8.920806       4.005749  0.000000       0.000000  212.6375 104.7540 ?        ?        ?              ?        
1 1 1 9   29 5  f 181.2700 89.62965 3.822992       3.027451  0.000000       0.000000  3.822992       3.027451  ?        ?        181.2700 89.62965 ?              ?        
1 1 1 9   30 0  o 99.78558 50.09517 -1.640145      1.068642  -1.758682      1.110719  -0.1639369     3.919678  99.78558 50.09517 ?        ?        ?              ?        
1 1 1 9   30 1  o 148.4311 51.24422 0.5171303      0.6277838 4.533745       3.351706  0.3710948      0.6390944 173.7077 87.18077 123.1544 53.88314 50.55337       102.4884 
1 1 1 10  0  0  f 2101.357 43.52797 112.3289       6.536163  112.3289       6.536163  112.3289       6.536163  2101.357 61.55785 2101.357 61.55785 0.000000       0.000000 
1 1 1 10  0  1  o 521.7256 40.41096 7.149474       1.463433  7.149474       1.463433  7.149474       1.463433  521.7256 57.14973 521.7256 57.14973 0.000000       0.000000 
1 1 1 10  0  2  o 169.2282 70.79604 0.8145447      1.479041  0.8145447      1.479041  0.8145447      1.479041  169.2282 100.1207 169.2282 100.1207 0.000000       0.000000 
1 1 1 10  0  3  o 359.1711 81.77845 4.169084       1.856648  4.169084       1.856648  4.169084       1.856648  359.1711 115.6522 359.1711 115.6522 0.000000       0.000000 
1 1 1 10  0  4  o 2376.730 66.86353 144.8068       11.33713  144.8068       11.33713  144.8068       11.33713  2376.730 94.55930 2376.730 94.55930 0.000000       0.000000 
1 1 1 10  0  5  o 1600.792 55.30825 65.64195       6.304530  65.64195       6.304530  65.64195       6.304530  1600.792 78.21767 1600.792 78.21767 0.000000       0.000000 
1 1 1 10  0  6  o 449.2920 71.43522 5.849198       2.005522  5.849198       2.005522  5.849198       2.005522  449.2920 101.0247 449.2920 101.0247 0.000000       0.000000 
1 1 1 10  0  7  o 319.4092 95.94237 3.701203       2.227188  3.701203       2.227188  3.701203       2.227188  319.4092 135.6830 319.4092 135.6830 0.000000       0.000000 
1 1 1 10  0  8  o 575.0668 45.23179 8.708410       1.803401  8.708410       1.803401  8.708410       1.803401  575.0668 63.96741 575.0668 63.96741 0.000000       0.000000 
1 1 1 10  0  9  o 2505.537 48.34098 160.2173       8.657313  160.2173       8.657313  160.2173       8.657313  2505.537 68.36446 2505.537 68.36446 0.000000       0.000000 
1 1 1 10  0  10 o 1417.004 38.71293 51.30347       3.914273  51.30347       3.914273  51.30347       3.914273  1417.004 54.74835 1417.004 54.74835 0.000000       0.000000 
1 1 1 10  0  11 o 1827.765 59.28659 86.27620       7.721275  86.27620       7.721275  86.27620       7.721275  1827.765 83.84389 1827.765 83.84389 0.000000       0.000000 
1 1 1 10  0  12 o 731.0935 64.09260 14.40687       3.216194  14.40687       3.216194  14.40687       3.216194  731.0935 90.64063 731.0935 90.64063 0.000000       0.000000 
1 1 1 10  0  13 o 1975.657 43.59903 100.4637       6.153585  100.4637       6.153585  100.4637       6.153585  1975.657 61.65834 1975.657 61.65834 0.000000       0.000000 
1 1 1 10  0  14 o 1109.596 39.55958 31.89330       3.124559  31.89330       3.124559  31.89330       3.124559  1109.596 55.94570 1109.596 55.94570 0.000000       0.000000 
1 1 1 10  0  15 o 102.2921 50.57790 -1.272605      1.372000  -1.272605      1.372000  -1.272605      1.372000  102.2921 71.52795 102.2921 71.52795 0.000000       0.000000 
1 1 1 10  0  16 o 109.6114 53.32735 -0.8581690     1.374186  -0.8581690     1.374186  -0.8581690     1.374186  109.6114 75.41627 109.6114 75.41627 0.000000       0.000000 
1 1 1 10  0  17 o 212.1573 86.25188 1.888075       2.094561  1.888075       2.094561  1.888075       2.094561  212.1573 121.9786 212.1573 121.9786 0.000000       0.000000 
1 1 1 10  0  18 o 188.7741 86.52666 0.9577025      2.773989  0.9577025      2.773989  0.9577025      2.773989  188.7741 122.3672 188.7741 122.3672 0.000000       0.000000 
1 1 1 10  0  19 o 141.2622 63.83237 0.4759741      1.441884  0.4759741      1.441884  0.4759741      1.441884  141.2622 90.27260 141.2622 90.27260 0.000000       0.000000 
1 1 1 10  0  20 o 455.9911 72.19034 6.951972       2.057970  6.951972       2.057970  6.951972       2.057970  455.9911 102.0926 455.9911 102.0926 0.000000       0.000000 
1 1 1 10  1  0  o 1395.458 52.37204 49.46152       3.699984  0.000000       0.000000  49.46152       3.699984  ?        ?        1395.458 52.37204 ?              ?        
1 1 1 10  1  1  o 2363.150 65.81979 142.2035       7.874653  0.000000       0.000000  142.2035       7.874653  ?        ?        2363.150 65.81979 ?              ?        
1 1 1 10  1  2  o 2092.006 62.22242 111.4496       6.590123  0.000000       0.000000  111.4496       6.590123  ?        ?        2092.006 62.22242 ?              ?        
1 1 1 10  1  3  o 1464.926 54.08625 54.59636       4.011311  0.000000       0.000000  54.59636       4.011311  ?        ?        1464.926 54.08625 ?              ?        
1 1 1 10  1  4  o 1435.687 47.90791 53.33275       3.221598  54.51260       3.913850  50.85371       5.673262  1463.954 52.80721 1407.421 79.95042 56.53271       95.81581 
1 1 1 10  1  5  o 1632.280 49.91977 69.00455       3.843652  70.86451       4.702316  65.25993       6.672120  1669.265 55.64200 1595.294 82.89693 73.97119       99.83954 
1 1 1 10  1  6  o 1983.469 42.75931 100.0954       4.293228  102.2199       6.086582  97.99177       6.056612  2004.497 59.97696 1962.441 60.96064 42.05579       85.51862 
1 1 1 10  1  7  f 2077.013 43.77980 109.8187       4.603283  111.1977       6.506895  108.4371       6.513161  2090.146 61.49129 2063.880 62.33381 26.26514       87.55959 
1 1 1 10  1  8  o 3141.094 69.29078 253.0927       10.40932  251.2079       12.76233  256.8384       17.99125  3132.256 80.48023 3149.933 112.8175 -17.67725      138.5816 
1 1 1 10  1  9  o 1907.116 59.79746 93.52665       5.770695  97.70384       8.277709  89.57701       8.049084  1948.758 83.90128 1865.474 85.22629 83.28381       119.5949 
1 1 1 10  1  10 o 1776.824 58.30191 81.46207       5.242090  85.02158       7.483073  78.03206       7.345705  1815.350 81.42090 1738.298 83.46907 77.05237       116.6038 
1 1 1 10  1  11 o 595.9459 61.31977 9.197918       1.823679  0.000000       0.000000  9.197918       1.823679  ?        ?        595.9459 61.31977 ?              ?        
1 1 1 10  1  12 o 564.8930 62.06611 9.348370       1.536299  10.99078       1.906471  6.306621       2.594480  651.6547 58.40664 478.1314 109.5330 173.5233       124.1322 
1 1 1 10  1  13 o 553.8252 50.96159 8.338496       1.339337  10.41766       1.859918  6.099097       1.930257  632.5597 58.74855 475.0906 83.28831 157.4691       101.9232 
1 1 1 10  1  14 o 409.9932 64.04671 4.682216       1.294083  4.494313       1.816386  4.875907       1.844149  401.1666 91.46433 418.8197 89.67832 -17.65311      128.0934 
1 1 1 10  1  15 o 1014.073 39.52975 26.92891       2.019774  27.87928       2.837508  25.95282       2.875658  1033.122 54.44245 995.0243 57.32735 38.09778       79.05951 
1 1 1 10  1  16 o 500.1754 59.96595 6.962180       1.454625  6.556634       1.929729  7.495856       2.213684  484.9005 81.49778 515.4504 87.98734 -30.54993      119.9319 
1 1 1 10  1  17 o 992.5081 59.29855 26.29799       2.966000  0.000000       0.000000  26.29799       2.966000  ?        ?        992.5081 59.29855 ?              ?        
1 1 1 10  1  18 o 340.7834 78.10423 3.471372       1.350591  3.279711       1.515245  4.212266       2.979167  329.5214 88.81475 352.0453 128.5030 -22.52396      156.2085 
1 1 1 10  1  19 o 176.0847 55.68961 -0.2207634     1.024777  -0.6358541     1.422462  0.2271417      1.477618  162.7623 74.91248 189.4071 82.42238 -26.64484      111.3792 
1 1 1 10  1  20 o 300.1135 70.38303 2.931882       1.307399  1.842636       1.843566  4.033924       1.854364  252.9415 99.04232 347.2855 100.0285 -94.34398      140.7661 
1 1 1 10  2  0  o 2310.083 64.87347 135.8418       7.587144  0.000000       0.000000  135.8418       7.587144  ?        ?        2310.083 64.87347 ?              ?        
1 1 1 10  2  1  o 2111.963 88.49202 114.1799       9.461807  0.000000       0.000000  114.1799       9.461807  ?        ?        2111.963 88.49202 ?              ?        
1 1 1 10  2  2  o 1668.672 80.73302 71.22661       6.820338  0.000000       0.000000  71.22661       6.820338  ?        ?        1668.672 80.73302 ?              ?        
1 1 1 10  2  3  o 736.3257 45.63058 13.89789       1.605533  14.02754       2.712867  13.82800       1.991805  737.3585 73.65740 735.2928 53.88124 2.065735       91.26117 
1 1 1 10  2  4  o 940.0454 36.15641 22.55685       1.711058  20.95822       2.414794  24.16882       2.424841  906.2271 52.86262 973.8637 49.34257 -67.63666      72.31283 
1 1 1 10  2  5  f 2289.368 57.06842 134.5746       6.204941  135.7737       7.584053  132.1468       10.79128  2308.746 64.88458 2269.989 93.90001 38.75732       114.1368 
1 1 1 10  2  6  o 2370.886 46.84808 143.1580       5.623114  144.4296       7.977379  141.9022       7.927424  2381.369 66.16830 2360.403 66.33797 20.96533       93.69616 
1 1 1 10  2  7  o 1155.703 36.37834 33.93684       2.126668  35.88172       3.033712  32.05760       2.982078  1188.344 50.42532 1123.063 52.44828 65.28064       72.75668 
1 1 1 10  2  8  o 1971.179 52.30074 98.32444       4.945578  102.5214       8.556800  96.21917       6.060329  1999.453 84.53112 1942.905 61.61137 56.54724       104.6015 
1 1 1 10  2  9  o 2113.069 44.49159 114.1409       4.755443  119.9415       6.738661  108.3864       6.711843  2167.036 61.42199 2059.102 64.38435 107.9338       88.98318 
1 1 1 10  2  10 o 1051.741 44.29291 27.98066       2.255040  26.89459       2.798223  29.99277       3.808707  1024.947 54.11771 1078.535 70.13359 -53.58838      88.58582 
1 1 1 10  2  11 o 1036.839 53.36400 27.87057       2.779129  28.30589       4.034734  27.47758       3.833544  1044.105 76.86911 1029.572 74.04057 14.53381       106.7280 
1 1 1 10  2  12 o 1021.812 46.51945 26.28235       2.278844  29.50230       3.961171  24.68947       2.786058  1064.437 73.96485 979.1877 56.43968 85.24878       93.03890 
1 1 1 10  2  13 o 291.5446 71.47361 0.8402246      1.666739  4.372463       2.316944  -2.948133      2.399473  394.9406 111.1721 188.1486 89.85923 206.7921       142.9472 
1 1 1 10  2  14 o 577.9188 48.84586 9.098538       1.356605  7.363665       2.015704  10.53501       1.834177  521.5630 78.79355 634.2747 57.75163 -112.7116      97.69173 
1 1 1 10  2  15 o 459.5150 55.04152 5.782380       1.231401  5.135363       1.701757  6.493516       1.784088  430.5977 81.03630 488.4321 74.50767 -57.83438      110.0830 
1 1 1 10  2  16 o 720.4347 51.86177 14.03487       1.811624  13.79238       2.303112  14.42839       2.933970  718.0469 64.02639 722.8225 81.60388 -4.775635      103.7235 
1 1 1 10  2  17 o 500.8081 99.89494 7.453501       2.443980  0.000000       0.000000  7.453501       2.443980  ?        ?        500.8081 99.89494 ?              ?        
1 1 1 10  2  18 o 535.0333 70.73379 8.928167       1.725772  9.210631       2.109566  8.356652       3.000718  569.2476 75.02766 500.8189 119.9330 68.42862       141.4676 
1 1 1 10  2  19 o 204.8283 61.34819 0.2657630      1.178205  -1.031274      1.675578  1.534265       1.657044  168.3944 78.79037 241.2623 94.05574 -72.86789      122.6964 
1 1 1 10  2  20 o 352.7674 66.58562 4.159579       1.250015  5.032006       1.679982  3.077506       1.870977  403.1758 84.98404 302.3590 102.5295 100.8168       133.1712 
1 1 1 10  3  0  o 1014.588 35.38224 26.13628       1.812439  24.66005       2.506166  27.75492       2.624261  983.9181 50.48144 1045.258 49.59068 -61.33960      70.76447 
1 1 1 10  3  1  o 952.6686 35.53868 23.07543       1.707563  21.31559       2.376657  24.95316       2.454965  914.3194 51.55376 991.0178 48.93057 -76.69836      71.07735 
1 1 1 10  3  2  o 511.7412 41.93803 6.751427       1.062984  6.697064       1.444983  6.815544       1.569267  509.8429 56.95450 513.6395 61.57418 -3.796600      83.87606 
1 1 1 10  3  3  o 1088.381 44.59943 29.47765       2.278970  32.40200       4.130829  28.19811       2.732435  1123.775 73.00192 1052.987 51.25580 70.78796       89.19887 
1 1 1 10  3  4  o 903.7036 43.33197 20.62838       1.886419  21.81479       3.201873  19.99762       2.334632  922.1351 69.08659 885.2722 52.32285 36.86285       86.66394 
1 1 1 10  3  5  o 1488.645 38.25093 56.35654       2.881681  54.78203       4.087535  57.91234       4.063198  1467.859 55.00392 1509.432 53.17051 -41.57288      76.50185 
1 1 1 10  3  6  o 882.2851 45.93360 19.77050       1.940678  19.41808       2.395658  20.44325       3.309943  872.3328 54.51830 892.2374 73.94144 -19.90466      91.86720 
1 1 1 10  3  7  o 314.8044 50.51080 2.504642       0.8799946 0.6221095      1.196936  4.719278       1.298227  203.4544 79.76600 426.1544 61.98989 -222.7001      101.0216 
1 1 1 10  3  8  o 1292.243 37.90954 42.52896       2.478724  41.36839       3.530741  43.65685       3.480684  1274.703 54.71083 1309.784 52.49055 -35.08167      75.81908 
1 1 1 10  3  9  o 1386.942 46.25861 49.45617       3.081587  49.86445       3.820547  48.69600       5.213121  1398.477 53.96183 1375.407 75.15022 23.06995       92.51721 
1 1 1 10  3  10 o 2163.923 44.96123 119.9874       4.925467  118.6725       6.959260  121.3070       6.972081  2151.924 63.87817 2175.923 63.29004 -23.99878      89.92246 
1 1 1 10  3  11 o 1890.645 42.41105 91.65424       4.059473  91.23117       5.738856  92.07793       5.743071  1886.230 60.09619 1895.059 59.86015 -8.828369      84.82211 
1 1 1 10  3  12 o 190.8690 59.41539 -0.3320850     1.097623  -0.4408548     1.724665  -0.2580366     1.423012  198.0650 87.51905 183.6730 80.38142 14.39197       118.8308 
1 1 1 10  3  13 o 434.1000 85.26302 5.139625       1.806988  5.139625       1.806988  0.000000       0.000000  434.1000 85.26302 ?        ?        ?              ?        
1 1 1 10  3  14 o 202.0858 60.39722 0.2348534      1.057665  0.1808615      1.421575  0.3017975      1.582928  195.3821 82.84316 208.7894 87.91080 -13.40729      120.7944 
1 1 1 10  3  15 o 705.9616 54.52180 13.13129       1.759603  14.50458       3.243177  12.55840       2.094715  722.8630 90.61079 689.0602 60.66458 33.80286       109.0436 
1 1 1 10  3  16 o 674.6504 53.38231 12.49745       1.738372  12.67495       2.228703  12.22170       2.777890  687.3353 64.81240 661.9654 84.84125 25.36993       106.7646 
1 1 1 10  3  17 o 275.7274 68.35467 1.282723       1.253610  4.089340       2.159645  -0.1435217     1.539529  363.9774 108.8036 187.4773 82.77214 176.5002       136.7093 
1 1 1 10  3  18 o 463.3594 70.24294 6.466956       1.549311  7.512136       2.591309  5.885474       1.932822  484.1237 108.4209 442.5950 89.33754 41.52878       140.4859 
1 1 1 10  3  19 o 318.3387 71.98980 3.665545       1.519217  4.749808       1.746998  0.3018807      3.077028  390.2192 90.23099 246.4582 112.1985 143.7610       143.9796 
1 1 1 10  3  20 o 348.1573 75.82717 4.038158       1.447896  3.168341       1.840361  5.451138       2.345618  305.9843 101.6751 390.3302 112.5220 -84.34592      151.6543 
1 1 1 10  4  0  o 3205.745 56.34180 262.7982       9.143195  258.1744       12.91888  267.4385       12.94201  3177.233 80.31413 3234.256 79.03944 -57.02271      112.6836 
1 1 1 10  4  1  o 1245.070 36.02713 39.32327       2.267129  36.27727       3.131727  42.67730       3.286261  1194.435 51.78903 1295.706 50.09703 -101.2708      72.05426 
1 1 1 10  4  2  o 608.7153 41.60107 9.579000       1.256960  10.54128       1.751842  8.557943       1.804549  641.3530 54.46808 576.0776 62.89536 65.27545       83.20215 
1 1 1 10  4  3  f 1286.140 36.39320 42.05954       2.369340  41.07366       3.324986  43.07657       3.377127  1270.806 51.68051 1301.473 51.25411 -30.66626      72.78639 
1 1 1 10  4  4  o 1432.976 45.21853 51.48763       3.115445  54.95118       5.394917  49.75471       3.816046  1467.211 72.62873 1398.740 53.88812 68.47131       90.43707 
1 1 1 10  4  5  o 1836.470 49.89127 84.43572       4.384704  90.69738       7.677161  81.40438       5.341628  1884.127 80.48348 1788.814 58.98273 95.31372       99.78253 
1 1 1 10  4  6  o 2473.511 58.44325 156.1907       6.892386  155.7844       8.431133  157.0092       11.96720  2472.711 67.34866 2474.311 95.53330 -1.599854      116.8865 
1 1 1 10  4  7  o 2474.441 60.14671 157.7043       7.057781  159.4487       8.620369  154.1574       12.29205  2500.439 68.09667 2448.443 99.16324 51.99658       120.2934 
1 1 1 10  4  8  o 312.7509 59.41901 2.419014       1.056214  4.190069       1.548192  0.8770246      1.444606  397.3913 79.72543 228.1106 88.12678 169.2807       118.8380 
1 1 1 10  4  9  o 907.8031 44.78547 21.57466       1.954506  22.67509       2.469806  19.73080       3.197030  941.7144 52.00515 873.8919 72.92747 67.82245       89.57093 
1 1 1 10  4  10 o 624.7875 52.20088 10.32227       1.461778  9.833658       2.668732  10.53169       1.747187  609.7915 89.07231 639.7836 54.45961 -29.99207      104.4018 
1 1 1 10  4  11 o 625.6375 40.16124 10.11232       1.255488  9.346627       1.764112  10.89815       1.787167  601.0156 58.72758 650.2595 54.79757 -49.24390      80.32249 
1 1 1 10  4  12 o 1003.393 48.59406 27.03489       2.281508  23.49865       3.874324  28.91219       2.822876  945.1281 81.77527 1061.658 52.51985 -116.5303      97.18811 
1 1 1 10  4  13 o 927.3208 50.98326 22.58534       2.180075  22.51307       2.615942  22.74965       3.944412  931.9907 55.69611 922.6509 85.41145 9.339844       101.9665 
1 1 1 10  4  14 o 253.6280 62.61715 1.561856       1.050657  0.4766943      1.655673  2.293449       1.359446  218.1983 90.74705 289.0577 86.30531 -70.85948      125.2343 
1 1 1 10  4  15 o 218.5641 66.99924 0.8471845E-01  1.368276  -1.302703      2.406993  0.7471030      1.663129  211.1909 97.29310 225.9373 92.13927 -14.74640      133.9985 
1 1 1 10  4  16 o 184.7044 59.69795 -0.8793361     1.260187  -1.892848      2.006423  -0.2190604     1.619462  177.7794 84.11527 191.6294 84.73489 -13.85004      119.3959 
1 1 1 10  4  17 o 296.0558 72.62883 2.525196       1.300393  2.419724       2.198738  2.581935       1.612674  295.2565 109.9336 296.8551 94.94415 -1.598572      145.2577 
1 1 1 10  4  18 o 305.6880 97.45383 2.910798       1.700107  0.000000       0.000000  2.910798       1.700107  ?        ?        305.6880 97.45383 ?              ?        
1 1 1 10  4  19 o 245.3526 73.66004 1.184420       1.328061  1.021925       1.479383  1.859050       3.014343  215.8813 87.31828 274.8239 118.6538 -58.94263      147.3201 
1 1 1 10  4  20 o 285.9162 73.61270 2.766557       1.457557  3.575087       1.886159  1.567988       2.296475  322.1606 102.6418 249.6717 105.5461 72.48888       147.2254 
1 1 1 10  5  0  o 2911.012 53.01356 216.6121       7.812912  217.2434       11.04691  215.9802       11.05134  2915.303 74.84683 2906.721 75.09795 8.582520       106.0271 
1 1 1 10  5  1  o 1507.136 38.01428 57.81875       2.899426  56.37521       4.119771  59.23546       4.081315  1488.357 54.67419 1525.916 52.83064 -37.55896      76.02856 
1 1 1 10  5  2  o 903.4212 36.07777 20.81417       1.642992  21.46202       2.348134  20.19277       2.299706  917.2686 50.76165 889.5739 51.28037 27.69470       72.15553 
1 1 1 10  5  3  o 682.2076 38.69195 11.91559       1.325023  12.10358       1.880164  11.73010       1.867630  687.6265 54.45355 676.7889 54.98252 10.83759       77.38390 
1 1 1 10  5  4  o 2101.317 43.35826 112.4099       4.612508  111.3406       6.505752  113.4906       6.540530  2091.245 61.44818 2111.390 61.18723 -20.14551      86.71653 
1 1 1 10  5  5  o 959.4711 45.18995 23.40344       2.063100  23.96991       3.567986  23.11891       2.528690  966.6157 73.45939 952.3265 52.65211 14.28918       90.37990 
1 1 1 10  5  6  f 1429.985 47.07166 51.68808       3.178306  53.56276       5.637877  50.81475       3.848055  1446.189 77.28269 1413.782 53.76199 32.40698       94.14333 
1 1 1 10  5  7  o 1778.888 50.39825 80.63179       4.265514  80.28368       5.204626  81.34396       7.444304  1775.709 57.89407 1782.066 82.51189 -6.357544      100.7965 
1 1 1 10  5  8  o 1953.067 59.78302 98.06507       5.905486  104.0961       8.439425  92.27871       8.266496  2012.501 82.83102 1893.632 86.22678 118.8693       119.5660 
1 1 1 10  5  9  o 1011.738 44.38680 26.60406       2.165594  27.52573       2.724668  25.02307       3.568536  1038.887 51.80382 984.5893 72.09103 54.29730       88.77361 
1 1 1 10  5  10 o 1022.772 45.55205 26.63581       2.212394  27.87199       3.864298  26.03304       2.698406  1037.468 74.05851 1008.076 53.05934 29.39227       91.10410 
1 1 1 10  5  11 o 1269.558 37.99137 41.29106       2.438347  38.58464       3.434833  44.04048       3.462015  1227.173 55.28613 1311.942 52.12313 -84.76929      75.98274 
1 1 1 10  5  12 o 1457.225 39.43231 54.62459       2.908989  54.75703       4.097142  54.48996       4.130929  1459.132 55.46292 1455.318 56.06685 3.813721       78.86462 
1 1 1 10  5  13 o 205.2257 61.23572 0.2227075      1.094208  0.4716902      1.515626  -0.4833868E-01 1.581353  211.8997 87.36214 198.5517 85.83187 13.34798       122.4714 
1 1 1 10  5  14 o 257.5215 73.15611 1.178438       1.364733  1.329200       1.607630  0.7895142      2.582091  247.5166 93.61767 267.5264 112.4411 -20.00972      146.3122 
1 1 1 10  5  15 o 403.8827 70.35007 4.103177       1.481787  2.054678       1.837016  7.918389       2.507000  281.8905 101.1874 525.8748 97.76322 -243.9843      140.7001 
1 1 1 10  5  16 o 861.6040 49.86335 19.90161       2.057347  20.96542       3.493232  19.33664       2.545692  870.7883 80.13680 852.4197 59.35912 18.36859       99.72669 
1 1 1 10  5  17 o 198.7368 59.92112 0.3234314      1.062420  0.2587381      1.507311  0.3873034      1.497712  196.8875 84.44122 200.5862 85.04025 -3.698669      119.8422 
1 1 1 10  5  18 o 171.6105 57.56123 -1.501765      1.290107  -1.165309      2.101060  -1.705392      1.634526  188.7124 88.27529 154.5086 73.89622 34.20380       115.1225 
1 1 1 10  5  19 o 312.3915 98.71658 3.205780       1.747408  3.205780       1.747408  0.000000       0.000000  312.3915 98.71658 ?        ?        ?              ?        
1 1 1 10  5  20 o 232.9304 70.39126 0.6221356      1.614704  -1.563885      2.325527  2.657100       2.243740  185.7006 88.62726 280.1602 109.3843 -94.45963      140.7825 
1 1 1 10  6  0  o 2364.850 46.26208 142.6815       5.538301  140.5430       7.830732  144.8217       7.833949  2346.985 65.90350 2382.715 64.94190 -35.73022      92.52417 
1 1 1 10  6  1  o 1195.953 36.14965 36.37662       2.188727  36.69175       3.107015  36.06620       3.083771  1201.098 51.09536 1190.809 51.15127 10.28870       72.29930 
1 1 1 10  6  2  f 891.3895 36.54807 20.25357       1.641448  21.02091       2.365671  19.54115       2.279447  907.7079 51.69224 875.0711 51.68132 32.63678       73.09615 
1 1 1 10  6  3  f 892.5696 36.07460 20.31786       1.623062  20.19002       2.312032  20.44207       2.279036  889.7251 51.54888 895.4142 50.47990 -5.689087      72.14921 
1 1 1 10  6  4  f 928.6055 36.18117 21.99482       1.689927  23.98702       2.406691  20.05721       2.373491  970.4849 49.14351 886.7261 53.11519 83.75873       72.36234 
1 1 1 10  6  5  o 526.4517 43.68670 7.286921       1.115980  6.115013       1.652619  8.269267       1.513067  484.9988 69.27342 567.9047 53.24756 -82.90585      87.37339 
1 1 1 10  6  6  o 934.3649 46.26311 21.66970       2.029431  24.26417       3.672212  20.52888       2.435075  971.8495 75.22129 896.8801 53.87817 74.96942       92.52621 
1 1 1 10  6  7  o 1166.700 36.39290 34.62460       2.148920  34.29387       2.995578  34.97524       3.084434  1161.020 50.96328 1172.380 51.96649 -11.36035      72.78580 
1 1 1 10  6  8  o 1802.159 58.47048 82.90385       5.334743  82.90385       5.334743  0.000000       0.000000  1802.159 58.47048 ?        ?        ?              ?        
1 1 1 10  6  9  o 530.3048 55.91334 6.769573       1.369484  9.360073       2.513681  5.676094       1.633141  595.8303 85.80492 464.7794 71.71278 131.0509       111.8267 
1 1 1 10  6  10 o 522.8143 46.13195 7.156144       1.178918  8.423773       1.683600  5.936613       1.651350  570.4280 59.15832 475.2007 70.80199 95.22726       92.26391 
1 1 1 10  6  11 o 540.9645 48.14285 7.761316       1.267969  8.469861       1.712052  6.900518       1.887053  571.0245 60.12486 510.9044 75.20596 60.12003       96.28569 
1 1 1 10  6  12 o 1079.813 38.11197 30.04935       2.078984  30.93066       2.937094  29.16439       2.943171  1096.685 52.89962 1062.940 54.87912 33.74414       76.22393 
1 1 1 10  6  13 o 1253.940 49.14444 41.52749       2.934509  40.71402       5.018593  41.95012       3.617357  1235.738 80.66043 1272.143 56.16580 -36.40479      98.28887 
1 1 1 10  6  14 o 885.8165 52.74990 20.71895       2.121059  20.27082       2.510558  21.83652       3.964639  879.6899 56.67274 891.9431 88.98544 -12.25323      105.4998 
1 1 1 10  6  15 o 198.3673 59.88117 -0.6259663E-02 1.093448  -0.7840750     1.501342  0.8724039      1.595705  170.3236 77.86090 226.4110 90.99835 -56.08740      119.7623 
1 1 1 10  6  16 o 215.9812 60.74749 0.7464277      1.035832  -0.3579820E-01 1.494729  1.469163       1.436766  188.8875 82.52999 243.0749 89.16183 -54.18748      121.4950 
1 1 1 10  6  17 o 532.6158 51.67245 8.008968       1.340777  8.438207       1.810213  7.487307       1.995606  553.4302 65.90350 511.8014 79.60463 41.62878       103.3449 
1 1 1 10  6  18 o 315.5835 72.25095 3.231716       1.308913  3.292107       1.688165  3.140688       2.072586  321.4568 96.22002 309.7102 107.8077 11.74652       144.5019 
1 1 1 10  6  19 o 289.3309 69.89617 2.737776       1.344842  3.829178       1.757657  1.196570       2.088681  341.1100 97.11328 237.5517 100.5530 103.5584       139.7923 
1 1 1 10  6  20 o 416.2635 82.91685 6.523607       1.711549  6.400743       1.967898  6.905192       3.468048  445.2109 90.39436 387.3162 139.0312 57.89468       165.8337 
1 1 1 10  7  0  o 795.8243 36.11906 16.15894       1.446408  15.30595       2.017350  17.06131       2.074923  774.0458 51.77775 817.6029 50.37271 -43.55707      72.23812 
1 1 1 10  7  1  o 550.6318 39.96370 7.788692       1.097385  7.611237       1.515733  7.984175       1.590864  544.0854 55.81696 557.1782 57.20889 -13.09283      79.92740 
1 1 1 10  7  2  o 1937.314 41.31385 95.53092       4.051972  94.76254       5.733449  96.29765       5.727265  1929.482 58.69371 1945.145 58.15829 -15.66309      82.62770 
1 1 1 10  7  3  o 586.1427 39.67247 8.876664       1.151207  7.616501       1.637727  10.10748       1.618547  543.7150 60.52290 628.5704 51.30886 -84.85541      79.34495 
1 1 1 10  7  4  o 1072.315 35.59298 29.23215       1.931103  29.76993       2.700466  28.66935       2.762577  1082.497 49.27518 1062.132 51.37505 20.36511       71.18595 
1 1 1 10  7  5  o 1623.289 38.88108 67.01550       3.195339  67.18143       4.523222  66.85020       4.514574  1625.297 54.97075 1621.281 55.00154 4.015747       77.76215 
1 1 1 10  7  6  o 2478.865 48.29075 156.8290       6.060232  158.0958       8.569387  155.5615       8.571538  2488.965 68.00602 2468.766 68.57964 20.19897       96.58150 
1 1 1 10  7  7  o 1119.572 52.18464 32.31451       2.931629  31.17488       4.273443  33.32760       4.029224  1099.964 77.22843 1139.179 70.20480 -39.21484      104.3693 
1 1 1 10  7  8  o 1002.974 54.91045 26.37775       2.721062  30.54040       3.773954  21.87079       3.926929  1089.306 68.78589 916.6423 85.61035 172.6636       109.8209 
1 1 1 10  7  9  o 287.8823 72.91261 1.890177       1.288321  1.580741       2.335127  2.025581       1.544688  291.8896 112.2432 283.8749 93.09379 8.014740       145.8252 
1 1 1 10  7  10 o 808.3298 39.33882 16.77715       1.581579  13.66757       2.173771  20.27476       2.305411  727.5958 59.53329 889.0638 51.43886 -161.4680      78.67764 
1 1 1 10  7  11 o 628.0957 42.67487 10.24527       1.340136  10.03937       1.887794  10.45445       1.902773  621.5685 60.76773 634.6228 59.93215 -13.05426      85.34975 
1 1 1 10  7  12 o 536.9738 48.58302 7.577218       1.283681  6.663605       1.745697  8.652853       1.894177  500.7452 70.83699 573.2023 66.50833 -72.45715      97.16603 
1 1 1 10  7  13 o 489.7973 51.79021 6.453370       1.243801  6.114069       1.728225  6.817964       1.791481  475.8671 74.15106 503.7276 72.32236 -27.86050      103.5804 
1 1 1 10  7  14 o 218.0982 65.07652 -0.3179541E-01 1.243312  -0.9498699     1.587661  1.424009       1.999265  172.7882 79.38471 263.4082 103.1401 -90.61996      130.1530 
1 1 1 10  7  15 o 270.1267 69.08718 1.900338       1.219579  1.177214       2.069144  2.285292       1.509693  254.6137 103.1678 285.6396 91.91604 -31.02592      138.1744 
1 1 1 10  7  16 o 843.4144 41.69749 19.02186       1.767652  19.97441       2.511205  18.08637       2.488624  865.4178 57.64541 821.4110 60.26382 44.00677       83.39497 
1 1 1 10  7  17 o 707.1935 44.68571 13.69967       1.580635  12.78945       2.205958  14.66007       2.265960  681.6448 64.69804 732.7422 61.65562 -51.09741      89.37143 
1 1 1 10  7  18 o 481.7573 62.95477 6.926665       1.449200  6.168278       1.841125  8.161776       2.349581  452.4146 83.45750 511.1000 94.27650 -58.68542      125.9095 
1 1 1 10  7  19 o 183.5057 60.62867 -0.9037718     1.396469  -0.4705177     1.838925  -1.493982      2.146329  186.0618 85.46558 180.9497 86.01729 5.112137       121.2573 
1 1 1 10  7  20 o 215.6651 92.81417 0.9176718      1.832489  0.9176718      1.832489  0.000000       0.000000  215.6651 92.81417 ?        ?        ?              ?        
1 1 1 10  8  0  o 1023.180 34.83621 26.60226       1.804307  26.46291       2.528674  26.74680       2.575315  1020.476 48.94477 1025.883 49.58482 -5.407043      69.67242 
1 1 1 10  8  1  o 1295.227 36.53480 42.68801       2.392292  40.10191       3.385664  45.26664       3.380763  1255.842 53.25071 1334.612 50.03526 -78.77002      73.06960 
1 1 1 10  8  2  o 1551.771 37.62984 61.22334       2.956056  60.51925       4.186673  61.92328       4.174342  1542.825 53.60050 1560.716 52.82998 -17.89148      75.25968 
1 1 1 10  8  3  o 1967.992 41.67168 98.59859       4.148273  93.61624       5.854052  103.6237       5.879118  1917.793 60.29359 2018.191 57.53953 -100.3981      83.34335 
1 1 1 10  8  4  o 1748.130 40.47280 77.77061       3.576960  83.16129       5.093181  72.52394       5.024683  1808.165 55.63747 1688.094 58.79339 120.0714       80.94560 
1 1 1 10  8  5  o 635.4546 57.72322 9.902533       1.757700  13.80057       2.907224  7.656722       2.206693  730.1847 79.94993 540.7245 83.28201 189.4601       115.4464 
1 1 1 10  8  6  o 767.9922 56.74380 15.10872       2.190648  15.10872       2.190648  0.000000       0.000000  767.9922 56.74380 ?        ?        ?              ?        
1 1 1 10  8  7  o 596.4999 57.65528 9.098665       1.674693  10.94189       2.619884  7.825136       2.177697  647.1780 81.78619 545.8218 81.28681 101.3563       115.3106 
1 1 1 10  8  8  o 1084.769 43.98687 29.16967       2.321826  34.25974       3.940983  26.46368       2.873461  1153.423 67.78687 1016.115 56.07422 137.3082       87.97373 
1 1 1 10  8  9  o 2422.010 61.09240 153.3651       6.979675  155.1877       8.493822  149.5753       12.24786  2455.927 68.31310 2388.092 101.3037 67.83594       122.1848 
1 1 1 10  8  10 o 1239.390 37.84046 39.23991       2.365750  34.79508       3.261349  44.17612       3.436900  1165.022 55.29420 1313.757 51.67352 -148.7355      75.68092 
1 1 1 10  8  11 o 428.4316 54.91698 4.979837       1.138450  5.472934       1.551195  4.404154       1.676068  454.3520 69.65749 402.5112 84.91957 51.84085       109.8340 
1 1 1 10  8  12 o 968.7202 38.18993 24.25532       1.863101  22.76098       2.566391  25.92040       2.709038  937.0279 54.33191 1000.413 53.68357 -63.38470      76.37985 
1 1 1 10  8  13 o 1202.060 39.12822 37.53873       2.379346  35.79083       3.293192  39.44761       3.441513  1172.754 55.46596 1231.365 55.20506 -58.61145      78.25644 
1 1 1 10  8  14 o 335.0554 83.05479 3.080086       1.712550  3.707672       2.722341  2.669082       2.203071  356.9940 123.5964 313.1168 110.9789 43.87714       166.1096 
1 1 1 10  8  15 o 365.0981 81.61303 3.926784       1.704171  2.916803       2.260912  5.255507       2.593249  319.1848 112.5016 411.0113 118.2630 -91.82651      163.2261 
1 1 1 10  8  16 o 298.3577 65.63271 2.622688       1.094775  2.500731       1.658451  2.716874       1.457444  292.6996 96.48392 304.0157 89.00259 -11.31610      131.2654 
1 1 1 10  8  17 o 441.2282 60.24322 5.462516       1.280281  3.560839       1.632644  8.499395       2.063179  339.3436 92.49767 543.1128 77.20856 -203.7692      120.4864 
1 1 1 10  8  18 o 460.8090 63.05010 6.428451       1.415218  3.827688       1.865349  9.955897       2.172400  338.7473 101.0864 582.8705 75.38429 -244.1232      126.1002 
1 1 1 10  8  19 o 230.1664 69.97030 0.6417341      1.600567  -1.443239      2.401248  2.308720       2.147102  191.0096 90.85305 269.3233 106.4382 -78.31369      139.9406 
1 1 1 10  8  20 f 262.8786 78.53472 2.174445       1.563976  1.919461       1.755503  3.155455       3.443355  244.2810 96.33812 281.4763 124.0555 -37.19525      157.0694 
1 1 1 10  9  0  o 2285.021 44.80952 132.9902       5.183474  131.1217       7.314446  134.8752       7.346737  2268.830 63.67895 2301.213 63.06000 -32.38354      89.61903 
1 1 1 10  9  1  o 1410.277 36.91219 50.71470       2.625780  55.21165       3.691320  46.10846       3.735909  1474.062 49.46321 1346.492 54.80357 127.5697       73.82439 
1 1 1 10  9  2  o 801.7825 39.05975 16.46358       1.562086  16.13256       2.355150  16.72359       2.087274  794.0076 59.00996 809.5574 51.19062 -15.54980      78.11949 
1 1 1 10  9  3  o 1408.454 38.77295 50.50090       2.757210  55.26212       3.926418  45.86907       3.872705  1474.272 52.60601 1342.636 56.97345 131.6360       77.54591 
1 1 1 10  9  4  o 790.1677 38.91179 15.96294       1.546904  16.02535       2.186612  15.90041       2.188694  791.7423 54.89006 788.5931 55.16874 3.149170       77.82358 
1 1 1 10  9  5  o 1667.046 56.56388 70.79315       4.773868  70.79315       4.773868  0.000000       0.000000  1667.046 56.56388 ?        ?        ?              ?        
1 1 1 10  9  6  o 2597.302 70.59846 172.8036       9.283278  172.8036       9.283278  0.000000       0.000000  2597.302 70.59846 ?        ?        ?              ?        
1 1 1 10  9  7  o 1825.225 51.58653 87.28432       4.477910  80.54883       7.628922  90.82461       5.530930  1765.366 85.35811 1885.083 57.95408 -119.7174      103.1731 
1 1 1 10  9  8  o 875.2504 47.99623 18.92168       1.952873  22.15563       3.619161  17.59332       2.319531  922.9633 78.18813 827.5375 55.68815 95.42578       95.99247 
1 1 1 10  9  9  o 811.1716 54.64230 16.74311       1.933007  16.29040       2.232472  18.09916       3.863791  795.5494 55.78159 826.7938 93.97627 -31.24445      109.2846 
1 1 1 10  9  10 o 607.3472 43.51198 9.595737       1.304236  9.603729       1.722835  9.585011       1.996132  608.9045 56.53209 605.7899 66.16112 3.114624       87.02396 
1 1 1 10  9  11 o 429.1153 58.35091 5.056526       1.214900  5.682954       1.665223  4.343643       1.776420  461.0468 73.83332 397.1838 90.37675 63.86295       116.7018 
1 1 1 10  9  12 o 380.1180 60.85022 4.052438       1.142192  4.443466       1.540832  3.575479       1.701735  403.1472 78.31564 357.0889 93.15396 46.05829       121.7004 
1 1 1 10  9  13 o 500.6863 63.95515 6.805500       1.456196  6.446519       1.745402  7.627620       2.641361  487.2906 72.99673 514.0819 105.0358 -26.79126      127.9103 
1 1 1 10  9  14 o 284.2809 85.65753 2.272552       1.334617  0.000000       0.000000  2.272552       1.334617  ?        ?        284.2809 85.65753 ?              ?        
1 1 1 10  9  15 o 347.5817 79.88889 2.846123       1.380913  2.077442       1.550364  5.797165       3.037725  273.6624 93.32958 421.5010 129.6862 -147.8385      159.7778 
1 1 1 10  9  16 o 218.3535 61.33555 0.9162560      1.041285  0.2683543      1.546287  1.453861       1.408533  198.4434 85.32867 238.2636 88.13181 -39.82016      122.6711 
1 1 1 10  9  17 o 241.1908 67.43656 1.238349       1.195141  0.5883858      1.497074  2.380458       1.984506  202.5556 85.40081 279.8260 104.3909 -77.27031      134.8731 
1 1 1 10  9  18 o 201.2351 60.57928 0.3329995      1.199244  1.471151       1.470253  -1.929572      2.072971  231.4969 89.05331 170.9732 82.15173 60.52374       121.1586 
1 1 1 10  9  19 f 322.3654 78.91805 3.871323       1.529916  3.958771       1.785907  3.630182       2.965639  339.7945 98.25009 304.9364 123.5279 34.85803       157.8361 
1 1 1 10  10 0  o 2497.630 48.26177 159.1553       6.097485  151.3539       8.607780  167.0128       8.638594  2435.745 69.80325 2559.516 66.66557 -123.7703      96.52354 
1 1 1 10  10 1  o 1418.546 38.13531 51.16826       2.737001  48.69155       3.839318  53.72765       3.902874  1383.539 54.81243 1453.553 53.03590 -70.01392      76.27063 
1 1 1 10  10 2  o 1289.425 46.74898 41.19585       2.841600  46.00072       5.137366  39.07782       3.410879  1339.448 76.07221 1239.402 54.35886 100.0459       93.49796 
1 1 1 10  10 3  o 1167.542 37.09235 34.65228       2.190772  34.09649       3.028935  35.26200       3.172487  1157.816 51.67336 1177.267 53.22813 -19.45093      74.18470 
1 1 1 10  10 4  o 950.4917 37.75378 23.16481       1.800016  25.72758       2.522539  20.50611       2.569320  1005.650 49.54586 895.3332 56.97895 110.3170       75.50756 
1 1 1 10  10 5  o 474.1234 54.80189 5.952182       1.244591  6.122212       1.618878  5.706438       1.946220  484.5939 67.84613 463.6528 86.08072 20.94110       109.6038 
1 1 1 10  10 6  o 746.8774 40.27424 14.35602       1.496595  11.99634       2.083657  16.87059       2.150956  682.2129 60.97097 811.5419 52.63647 -129.3290      80.54848 
1 1 1 10  10 7  f 1798.422 49.70089 82.00673       4.312724  87.16238       7.400032  79.35489       5.307203  1836.543 79.58823 1760.300 59.55186 76.24292       99.40177 
1 1 1 10  10 8  o 1299.242 48.97136 44.28948       2.993794  41.50607       5.185947  45.68074       3.666441  1262.451 81.57532 1336.033 54.20558 -73.58130      97.94273 
1 1 1 10  10 9  o 632.2902 43.71335 10.37015       1.374733  9.154612       1.907213  11.68467       1.983353  592.6903 64.60709 671.8901 58.90121 -79.19977      87.42670 
1 1 1 10  10 10 o 819.2100 51.06841 17.13475       1.914840  16.49212       2.269212  18.72391       3.568448  798.4169 56.50355 840.0031 85.08396 -41.58618      102.1368 
1 1 1 10  10 11 o 827.8345 39.98776 17.84179       1.661580  19.22212       2.349957  16.46177       2.349701  860.9246 54.19176 794.7444 58.81613 66.18011       79.97552 
1 1 1 10  10 12 o 1177.841 38.81345 36.02061       2.312026  33.82698       3.205748  38.39846       3.337635  1140.157 55.53682 1215.524 54.23649 -75.36707      77.62690 
1 1 1 10  10 13 o 684.5676 49.94919 12.19211       1.652560  10.98176       2.055599  14.40378       2.778711  641.3791 64.16621 727.7561 76.56620 -86.37701      99.89838 
1 1 1 10  10 14 o 341.0160 71.71750 2.904617       1.221192  5.017499       2.382993  2.152121       1.422124  404.8890 112.3146 277.1429 89.21343 127.7460       143.4350 
1 1 1 10  10 15 o 229.9910 54.74192 0.9764972      0.9631341 -1.220772      1.456582  2.683566       1.283863  155.4762 72.97340 304.5058 81.61858 -149.0295      109.4838 
1 1 1 10  10 16 o 450.8069 64.49572 6.177645       1.400109  6.483904       1.828177  5.743206       2.177399  473.7293 79.00901 427.8845 101.9626 45.84476       128.9914 
1 1 1 10  10 17 o 438.0760 63.08406 5.859687       1.342018  5.177720       1.768295  6.786055       2.060937  408.7333 88.05335 467.4188 90.36041 -58.68552      126.1681 
1 1 1 10  10 18 o 239.8353 70.13332 1.476893       1.386892  1.573003       1.888666  1.364417       2.043153  241.5420 98.30981 238.1286 100.0496 3.413437       140.2666 
1 1 1 10  10 19 o 250.6360 73.05703 1.929539       1.540347  2.519328       1.841779  0.5569107      2.809740  270.2107 100.6136 231.0614 105.9539 39.14923       146.1141 
1 1 1 10  11 0  f 891.0438 36.59100 20.26662       1.642331  19.34356       2.316536  21.19942       2.328726  870.4236 52.81818 911.6639 50.65416 -41.24023      73.18199 
1 1 1 10  11 1  o 1735.476 40.34564 76.68777       3.543208  73.53182       4.977035  79.93096       5.045368  1699.131 57.85759 1771.820 56.24572 -72.68982      80.69128 
1 1 1 10  11 2  o 701.7828 41.18848 12.65531       1.447203  12.19719       2.087792  13.07903       2.007856  689.0991 60.45509 714.4667 55.95664 -25.36761      82.37696 
1 1 1 10  11 3  o 887.9751 37.57087 20.21293       1.665311  16.91136       2.327316  23.67704       2.383915  812.5553 56.93391 963.3950 49.03887 -150.8397      75.14174 
1 1 1 10  11 4  o 926.4939 45.39711 22.52299       2.013255  23.76222       2.534220  20.40283       3.314772  964.2557 52.10548 888.7322 74.35461 75.52350       90.79422 
1 1 1 10  11 5  o 817.5596 43.99792 16.93097       1.771512  15.91841       2.261895  18.53755       2.849133  787.3172 57.13562 847.8019 66.92376 -60.48468      87.99584 
1 1 1 10  11 6  o 1301.145 46.17378 43.69757       2.862931  42.99492       4.914793  44.05844       3.522214  1289.068 75.64010 1313.222 52.97780 -24.15393      92.34756 
1 1 1 10  11 7  o 1197.236 37.69589 36.66185       2.282403  34.42611       3.199595  38.97821       3.256776  1159.797 54.49160 1234.675 52.10169 -74.87781      75.39178 
1 1 1 10  11 8  o 1091.183 37.97242 30.50645       2.097655  30.14822       2.958994  30.86835       2.974128  1084.699 53.88292 1097.667 53.51868 -12.96765      75.94484 
1 1 1 10  11 9  o 967.8414 52.24142 25.08535       2.296572  23.00196       4.153362  26.00287       2.756264  931.0241 89.20827 1004.659 54.39253 -73.63458      104.4828 
1 1 1 10  11 10 o 609.7181 62.64424 10.17426       1.622425  10.32442       1.889186  9.752333       3.166831  628.7529 60.07998 590.6835 109.9436 38.06940       125.2885 
1 1 1 10  11 11 f 355.4115 62.21981 3.525558       1.113315  3.468502       1.553306  3.585833       1.596513  352.5823 87.44530 358.2407 88.53553 -5.658447      124.4396 
1 1 1 10  11 12 o 614.1830 50.21536 9.253477       1.441560  7.678201       1.718167  12.99897       2.649364  535.9891 64.62096 692.3768 76.87952 -156.3878      100.4307 
1 1 1 10  11 13 o 438.1776 58.27987 5.437122       1.239278  4.376109       1.749440  6.505846       1.755786  389.7900 90.40510 486.5652 73.57369 -96.77512      116.5597 
1 1 1 10  11 14 o 245.1445 60.82281 1.585040       0.9553051 1.016024       1.483918  1.987776       1.248410  224.6626 88.58208 265.6264 83.37189 -40.96379      121.6456 
1 1 1 10  11 15 o 223.4405 65.92820 0.8530189      1.155881  -1.103417      2.679741  1.300228       1.281196  219.1813 101.5647 227.6996 84.08762 -8.518387      131.8564 
1 1 1 10  11 16 o 376.6172 77.48624 4.314075       1.438985  3.694349       1.686804  5.970677       2.757870  342.9192 94.24676 410.3152 123.0204 -67.39597      154.9725 
1 1 1 10  11 17 o 201.5702 54.94030 -0.5673422E-01 1.122973  2.325883       1.375822  -4.812297      1.943730  271.5526 87.78421 131.5878 66.08842 139.9647       109.8806 
1 1 1 10  11 18 o 513.6584 73.44012 8.485177       1.740797  7.457398       2.096979  10.76366       3.122244  483.5984 88.92651 543.7183 116.9012 -60.11990      146.8802 
1 1 1 10  11 19 o 256.6127 67.93954 2.082400       1.323807  3.583611       1.829178  0.4313571      1.918290  311.1616 101.2687 202.0639 90.59680 109.0977       135.8791 
1 1 1 10  12 0  o 1586.568 39.42554 64.15098       3.166618  64.40453       4.460142  63.89325       4.496629  1589.794 55.41459 1583.342 56.09560 6.452393       78.85108 
1 1 1 10  12 1  o 1161.387 37.58542 34.37101       2.209350  34.84430       3.103295  33.88456       3.146131  1169.599 52.40857 1153.174 53.88875 16.42505       75.17085 
1 1 1 10  12 2  o 1504.191 38.52602 57.65867       2.932663  60.02599       4.197917  55.40195       4.098688  1534.421 54.03881 1473.962 54.92561 60.45874       77.05203 
1 1 1 10  12 3  o 639.1260 47.68982 9.928979       1.439856  8.708691       1.734602  12.63283       2.582024  580.7520 59.85411 697.5001 74.26144 -116.7481      95.37964 
1 1 1 10  12 4  o 871.9012 45.46418 20.06472       1.906587  21.52677       2.431534  17.73096       3.072051  916.8741 52.60263 826.9283 74.16824 89.94586       90.92835 
1 1 1 10  12 5  o 697.0208 52.40314 12.69464       1.812446  11.50306       2.570918  13.87198       2.555523  662.9863 78.09267 731.0552 69.89915 -68.06891      104.8063 
1 1 1 10  12 6  o 646.7074 53.34473 11.52490       1.555666  9.370890       2.664533  12.63886       1.916157  592.7784 91.75015 700.6364 54.44767 -107.8580      106.6895 
1 1 1 10  12 7  o 850.6158 38.47718 18.61118       1.647969  18.15719       2.308816  19.08270       2.352972  839.9576 54.58981 861.2742 54.23953 -21.31659      76.95436 
1 1 1 10  12 8  o 1452.911 39.42677 54.26774       2.898752  52.47318       4.104653  56.05324       4.094275  1428.548 56.75418 1477.275 54.74344 -48.72668      78.85355 
1 1 1 10  12 9  o 1333.151 47.97301 46.13714       3.030122  46.77871       5.293299  45.82443       3.695527  1332.757 78.80005 1333.545 54.73750 -0.7885742     95.94603 
1 1 1 10  12 10 o 1128.867 53.16915 33.99641       2.669509  34.31905       3.135096  33.14566       5.090913  1151.666 53.77008 1106.067 91.74209 45.59851       106.3383 
1 1 1 10  12 11 o 606.0073 43.79050 9.690125       1.319940  9.304291       1.780274  10.16115       1.967020  593.3130 60.09694 618.7017 63.70864 -25.38867      87.58101 
1 1 1 10  12 12 o 449.3571 66.30072 6.305286       1.401931  7.456237       1.738621  4.165980       2.370354  525.6445 66.84444 373.0698 114.5206 152.5748       132.6014 
1 1 1 10  12 13 o 292.6524 70.39787 2.330226       1.175086  2.648015       2.147778  2.194460       1.403833  306.6626 109.4825 278.6422 88.52695 28.02045       140.7957 
1 1 1 10  12 14 o 313.8878 64.34326 2.903365       1.085126  3.280990       1.571649  2.559361       1.500054  332.3917 90.81600 295.3839 91.17387 37.00778       128.6865 
1 1 1 10  12 15 o 216.8380 68.94424 -0.1020206     1.556295  -1.556774      2.809431  0.5420282      1.869317  214.3044 100.8275 219.3715 94.05881 -5.067032      137.8885 
1 1 1 10  12 16 o 258.6294 75.77990 1.728367       1.475644  1.881466       1.659559  1.150201       3.225021  253.8028 95.30883 263.4560 117.8414 -9.653168      151.5598 
1 1 1 10  12 17 o 212.6634 66.15044 0.1769528      1.512295  -2.271625      2.445660  1.692831       1.924294  180.4118 87.30775 244.9149 99.40260 -64.50307      132.3009 
1 1 1 10  12 18 o 209.5681 66.46356 0.1531195E-02  1.509358  -1.458304      2.051979  1.722524       2.227976  173.2740 82.85036 245.8622 103.9492 -72.58823      132.9271 
1 1 1 10  12 19 o 235.6920 75.04752 1.325909       1.869779  0.2546656      2.463356  2.782000       2.871954  208.5223 96.88609 262.8617 114.6368 -54.33940      150.0950 
1 1 1 10  13 0  o 396.1503 51.43122 4.143466       0.9871978 3.189093       1.354906  5.223449       1.441314  345.2664 79.19689 447.0342 65.63943 -101.7678      102.8624 
1 1 1 10  13 1  o 969.1694 36.41877 24.02209       1.780271  23.48919       2.507460  24.56378       2.528034  958.2300 51.88016 980.1089 51.12490 -21.87897      72.83753 
1 1 1 10  13 2  o 466.8079 58.20160 6.445487       1.240000  8.492841       1.611400  3.472889       1.941668  573.8035 56.19088 359.8122 101.9426 213.9913       116.4032 
1 1 1 10  13 3  o 1133.982 43.97802 32.26273       2.424861  30.22235       3.009763  36.03699       4.093483  1085.908 54.92491 1182.055 68.69875 -96.14673      87.95603 
1 1 1 10  13 4  o 998.9130 44.71884 24.80630       2.135819  28.62407       3.756220  22.98219       2.596398  1051.569 70.97059 946.2570 54.42677 105.3118       89.43768 
1 1 1 10  13 5  o 1337.828 48.51028 48.33079       3.044559  39.81091       5.089570  53.07840       3.799287  1235.323 81.84350 1440.333 52.10214 -205.0101      97.02057 
1 1 1 10  13 6  o 1974.851 43.75746 100.3640       4.374907  100.6158       6.195189  100.1135       6.178949  1977.319 61.88624 1972.382 61.87854 4.937866       87.51492 
1 1 1 10  13 7  o 2074.145 44.65797 111.0528       4.688864  112.9189       6.626149  109.1811       6.635972  2091.973 62.56356 2056.317 63.74275 35.65601       89.31594 
1 1 1 10  13 8  o 829.0134 38.85536 17.92227       1.605894  15.57198       2.308762  20.12515       2.235180  774.2369 59.35276 883.7900 50.16180 -109.5532      77.71072 
1 1 1 10  13 9  o 296.8368 52.94797 2.300862       0.9838187 -0.1343001     1.439681  4.434306       1.347544  186.8517 81.33401 406.8219 67.81394 -219.9702      105.8959 
1 1 1 10  13 10 o 350.7975 66.42880 3.597871       1.240783  2.399094       1.922356  4.453921       1.624480  300.9550 103.8798 400.6402 82.82597 -99.68521      132.8576 
1 1 1 10  13 11 o 696.1833 58.68204 13.31079       1.784408  13.28499       2.094702  13.37905       3.406933  708.6180 58.92270 683.7488 101.5010 24.86920       117.3641 
1 1 1 10  13 12 o 482.0872 51.90496 6.396962       1.211235  7.790930       1.765824  5.158306       1.664548  535.8713 66.51897 428.3030 79.69772 107.5683       103.8099 
1 1 1 10  13 13 f 277.0676 65.10577 1.271020       1.106276  4.307896       2.054063  0.3019814E-01  1.312971  374.8798 104.3770 179.2553 77.84911 195.6245       130.2115 
1 1 1 10  13 14 o 501.2115 56.78771 6.869488       1.328199  8.437024       2.326741  6.111787       1.617663  535.7017 88.90815 466.7214 70.67330 68.98029       113.5754 
1 1 1 10  13 15 o 528.0360 76.28394 9.500240       1.779413  7.986651       3.351991  10.09414       2.099691  460.6579 135.0096 595.4141 71.05883 -134.7561      152.5679 
1 1 1 10  13 16 f 261.7440 74.28991 1.580880       1.313831  0.9249211      1.505108  3.680828       2.692983  210.1329 86.88489 313.3552 120.5279 -103.2224      148.5798 
1 1 1 10  13 17 o 330.3118 72.91232 4.285805       1.712823  6.262733       2.099323  0.3494336      2.962320  428.5603 98.78275 232.0633 107.2697 196.4970       145.8246 
1 1 1 10  13 18 f 566.6754 63.02554 10.20080       1.716928  8.463881       2.192748  12.95314       2.760257  506.6956 88.71084 626.6552 89.55032 -119.9596      126.0511 
1 1 1 10  14 0  o 743.4566 47.68194 14.26793       1.771374  13.53618       2.410425  15.12711       2.611886  722.8497 66.61568 764.0635 68.23943 -41.21387      95.36388 
1 1 1 10  14 1  o 588.8839 47.16942 8.670208       1.346522  6.658026       1.730914  11.75432       2.142926  504.0150 69.69947 673.7527 63.57517 -169.7377      94.33884 
1 1 1 10  14 2  o 945.6732 77.01509 23.27999       3.655205  23.27999       3.655205  0.000000       0.000000  945.6732 77.01509 ?        ?        ?              ?        
1 1 1 10  14 3  o 636.0808 88.73751 10.74300       2.779788  10.74300       2.779788  0.000000       0.000000  636.0808 88.73751 ?        ?        ?              ?        
1 1 1 10  14 4  o 366.4903 65.23328 3.623827       1.128980  3.603230       2.114475  3.632040       1.335235  364.6860 107.3287 368.2946 74.17598 -3.608643      130.4666 
1 1 1 10  14 5  f 596.2899 43.88290 9.276030       1.300251  8.492765       1.847839  10.04421       1.829956  570.2114 65.18061 622.3683 58.77349 -52.15692      87.76580 
1 1 1 10  14 6  o 608.5507 44.06836 9.648679       1.329777  11.02250       1.917716  8.376325       1.845536  651.6261 58.76245 565.4753 65.68909 86.15082       88.13673 
1 1 1 10  14 7  o 526.0939 45.43782 7.253202       1.183075  6.859821       1.618175  7.704951       1.734072  510.6919 63.99180 541.4958 64.52465 -30.80389      90.87563 
1 1 1 10  14 8  o 1208.853 48.67224 37.31644       2.752383  41.12771       5.012778  35.67148       3.293214  1243.692 80.03767 1174.013 55.40684 69.67920       97.34447 
1 1 1 10  14 9  o 1222.611 38.60315 38.85248       2.388975  39.87918       3.392562  37.84261       3.364653  1238.926 54.08771 1206.295 55.09384 32.63123       77.20629 
1 1 1 10  14 10 o 322.7146 72.22884 2.850731       1.237031  3.229953       2.306717  2.697645       1.465600  336.6264 113.8459 308.8028 88.92207 27.82361       144.4577 
1 1 1 10  14 11 o 147.3967 68.31216 -0.8741659     1.213009  -0.8741659     1.213009  0.000000       0.000000  147.3967 68.31216 ?        ?        ?              ?        
1 1 1 10  14 12 o 386.6240 85.70444 4.333912       1.633507  0.000000       0.000000  4.333912       1.633507  ?        ?        386.6240 85.70444 ?              ?        
1 1 1 10  14 13 o 550.2382 59.21577 8.651818       1.498036  8.902003       2.603267  8.527959       1.831696  544.1513 98.10549 556.3251 66.34261 -12.17383      118.4315 
1 1 1 10  14 14 o 345.2122 80.89714 2.880348       1.287768  2.216866       1.400960  6.495596       3.270246  272.4654 88.62338 417.9591 135.3635 -145.4937      161.7943 
1 1 1 10  14 15 f 421.9459 74.61136 7.244261       1.696620  8.445823       1.934850  3.246318       3.529332  537.8312 72.94057 306.0605 130.1810 231.7707       149.2227 
1 1 1 10  14 16 o 443.4713 80.07537 7.939279       1.852750  5.852342       3.357944  8.852666       2.221499  357.1896 135.2524 529.7529 85.76158 -172.5633      160.1507 
1 1 1 10  14 17 o 295.8163 106.4328 3.294211       2.033523  3.294211       2.033523  0.000000       0.000000  295.8163 106.4328 ?        ?        ?              ?        
1 1 1 10  14 18 o 231.4174 70.24718 1.629298       1.514586  0.6981069      2.460747  2.197218       1.921726  215.7926 99.02718 247.0421 99.66086 -31.24954      140.4944 
1 1 1 10  15 0  o 1676.759 48.15281 71.43050       3.915408  68.80237       4.843250  76.38831       6.652089  1637.092 58.43597 1716.427 76.55068 -79.33545      96.30561 
1 1 1 10  15 1  o 1536.991 74.72366 61.21667       5.814509  61.21667       5.814509  0.000000       0.000000  1536.991 74.72366 ?        ?        ?              ?        
1 1 1 10  15 2  o 569.8367 104.9750 8.851426       2.916860  0.000000       0.000000  8.851426       2.916860  ?        ?        569.8367 104.9750 ?              ?        
1 1 1 10  15 3  f 834.5723 62.72647 19.19527       2.461613  21.67564       3.173960  15.45136       3.899476  912.8419 69.19324 756.3028 104.6458 156.5391       125.4529 
1 1 1 10  15 4  o 336.2467 64.10800 3.503526       1.240016  4.710586       1.452374  0.2573016      2.381788  420.8681 70.66772 251.6253 106.9833 169.2428       128.2160 
1 1 1 10  15 5  o 989.2090 37.75920 25.24563       1.881750  24.83117       2.713480  25.62962       2.611823  980.8638 54.86290 997.5543 51.89500 -16.69049      75.51840 
1 1 1 10  15 6  o 518.0594 47.08268 7.002224       1.198506  8.050505       1.811114  6.185523       1.598596  552.8174 66.01722 483.3013 67.14790 69.51614       94.16535 
1 1 1 10  15 7  o 576.2784 43.73931 8.736825       1.255028  8.303787       1.761252  9.183526       1.788823  561.1918 63.08394 591.3650 60.60467 -30.17322      87.47862 
1 1 1 10  15 8  o 524.7172 46.46606 7.371114       1.198334  7.025279       1.771417  7.662916       1.627159  511.3029 70.29105 538.1315 60.79103 -26.82861      92.93213 
1 1 1 10  15 9  o 241.9788 60.17757 1.335675       0.9170797 2.126057       1.454194  0.8137568      1.181695  278.5873 90.26984 205.3703 79.60348 73.21700       120.3551 
1 1 1 10  15 10 o 507.9402 62.84156 7.870305       1.437377  5.685402       2.402989  9.087607       1.793638  433.7045 109.4395 582.1758 61.80009 -148.4713      125.6831 
1 1 1 10  15 11 o 445.4277 77.87187 5.595566       1.692131  5.595566       1.692131  0.000000       0.000000  445.4277 77.87187 ?        ?        ?              ?        
1 1 1 10  15 12 f 448.7514 77.41447 5.970094       1.735204  4.326865       2.198073  8.687700       2.826744  369.5393 109.6089 527.9636 109.3522 -158.4243      154.8289 
1 1 1 10  15 13 o 867.4996 42.24084 20.55151       1.837122  21.85362       2.561575  19.17243       2.636197  899.1188 56.56211 835.8804 62.75253 63.23846       84.48167 
1 1 1 10  15 14 o 356.2531 63.04827 3.993172       1.127668  4.129469       1.476717  3.802513       1.746556  369.6320 81.13727 342.8741 96.52504 26.75790       126.0965 
1 1 1 10  15 15 o 393.0989 65.61297 4.985675       1.271096  4.418615       1.654919  5.801465       1.984956  368.6124 89.56192 417.5854 95.91094 -48.97305      131.2259 
1 1 1 10  15 16 o 290.9709 80.19218 2.680563       1.459669  5.216308       3.124828  1.972835       1.650846  335.4427 129.6068 246.4991 94.47334 88.94363       160.3844 
1 1 1 10  15 17 o 189.4243 85.40847 0.2407755      1.732069  0.2407755      1.732069  0.000000       0.000000  189.4243 85.40847 ?        ?        ?              ?        
1 1 1 10  16 0  o 779.2974 38.57146 15.80328       1.494646  16.80429       2.013085  14.57361       2.231200  808.4778 49.41979 750.1170 59.23441 58.36084       77.14292 
1 1 1 10  16 1  o 772.4275 57.46224 14.92527       2.033395  13.75090       2.399907  17.91362       3.828322  726.3210 65.98526 818.5340 94.09347 -92.21301      114.9245 
1 1 1 10  16 2  o 478.1640 74.99094 6.088154       1.755679  6.088154       1.755679  0.000000       0.000000  478.1640 74.99094 ?        ?        ?              ?        
1 1 1 10  16 3  o 322.4442 68.21661 2.811733       1.197601  2.764692       1.632543  2.866545       1.762208  319.3798 94.39647 325.5085 98.50547 -6.128723      136.4332 
1 1 1 10  16 4  o 478.1007 71.12463 6.623688       1.579801  7.218544       1.929759  5.414905       2.750876  520.1721 75.48204 436.0294 120.5708 84.14276       142.2493 
1 1 1 10  16 5  o 440.9761 75.98093 6.251235       1.803210  8.299873       2.210015  2.171062       3.118903  555.1392 81.02072 326.8131 128.5615 228.3261       151.9619 
1 1 1 10  16 6  o 480.1815 75.19254 7.267550       1.559714  7.940115       1.774603  4.984033       3.269913  547.2187 65.34814 413.1443 135.4448 134.0744       150.3851 
1 1 1 10  16 7  o 364.8279 70.07640 3.794508       1.206760  3.599666       2.482625  3.854787       1.380870  355.3785 118.0917 374.2773 75.47957 -18.89883      140.1528 
1 1 1 10  16 8  o 401.9991 71.56415 4.554372       1.264041  4.909437       2.752155  4.459448       1.423011  401.2037 123.4399 402.7946 72.44522 -1.590851      143.1283 
1 1 1 10  16 9  o 691.0472 62.37033 12.96286       1.758235  12.57457       1.989454  14.34810       3.757664  687.7755 57.66745 694.3190 110.6106 -6.543518      124.7407 
1 1 1 10  16 10 o 645.4080 50.52930 11.66581       1.564087  12.50014       2.028531  10.44255       2.456239  682.5311 59.29424 608.2850 81.83542 74.24609       101.0586 
1 1 1 10  16 11 o 245.0179 88.03674 1.602347       1.390873  0.000000       0.000000  1.602347       1.390873  ?        ?        245.0179 88.03674 ?              ?        
1 1 1 10  16 12 o 282.9331 75.62890 2.303907       1.343677  2.526315       1.476834  1.234738       3.238024  289.5237 90.64753 276.3424 121.0865 13.18127       151.2578 
1 1 1 10  16 13 o 270.5189 68.13110 2.227834       1.180514  2.441557       1.619436  1.985477       1.724512  280.2576 95.38688 260.7801 97.30738 19.47745       136.2622 
1 1 1 10  16 14 o 311.8916 61.27421 2.598191       1.085917  1.005927       1.347347  5.549833       1.834441  207.4086 83.52702 416.3746 89.67358 -208.9661      122.5484 
1 1 1 10  16 15 o 190.5653 59.03483 0.4074493      1.082630  0.1458232      1.454380  0.7325885      1.621332  178.7916 79.61344 202.3389 87.19027 -23.54730      118.0697 
1 1 1 10  16 16 o 237.3400 71.21954 -0.5120946     1.318462  5.492911       2.909909  -2.063349      1.478987  341.2541 126.5855 133.4260 65.30701 207.8281       142.4391 
1 1 1 10  16 17 o 204.0417 90.71593 0.8514674      1.880862  0.8514674      1.880862  0.000000       0.000000  204.0417 90.71593 ?        ?        ?              ?        
1 1 1 10  17 0  o 307.0568 77.36630 1.914621       1.035119  1.811531       1.089932  2.862912       3.305691  260.5426 77.16157 353.5710 134.1204 -93.02838      154.7326 
1 1 1 10  17 1  o 710.8789 65.72453 13.93271       2.028802  14.29807       2.395915  13.00691       3.813893  739.3668 64.65720 682.3909 114.4478 56.97589       131.4491 
1 1 1 10  17 2  o 693.8478 56.66091 13.11770       1.667742  12.24889       3.274157  13.42209       1.937995  668.1740 99.85193 719.5217 53.58570 -51.34778      113.3218 
1 1 1 10  17 3  o 1228.729 51.90018 40.72210       2.904734  37.35928       5.260040  42.19755       3.484173  1179.460 88.73943 1277.997 53.85005 -98.53748      103.8004 
1 1 1 10  17 4  o 422.3134 67.89506 6.618629       1.466047  0.4001935      3.200095  8.270429       1.649305  283.5187 122.3317 561.1082 58.93989 -277.5894      135.7901 
1 1 1 10  17 5  o 410.9395 131.0752 5.017066       3.075224  5.017066       3.075224  0.000000       0.000000  410.9395 131.0752 ?        ?        ?              ?        
1 1 1 10  17 6  f 206.9150 81.23444 0.7729089      1.242944  0.7729089      1.242944  0.000000       0.000000  206.9150 81.23444 ?        ?        ?              ?        
1 1 1 10  17 7  o 317.7357 78.66547 2.867963       1.471280  3.176992       1.662132  1.749363       3.162301  331.5523 94.45319 303.9190 125.8238 27.63333       157.3309 
1 1 1 10  17 8  f 495.6077 53.84507 6.878643       1.248159  6.614907       2.066006  7.030230       1.566313  480.6407 88.15244 510.5746 61.85720 -29.93384      107.6901 
1 1 1 10  17 9  o 883.9004 44.86424 20.81176       1.951564  19.69345       2.489275  22.59541       3.143755  858.2712 57.62237 909.5295 68.78127 -51.25830      89.72848 
1 1 1 10  17 10 o 936.7926 46.02987 23.83236       2.108068  23.34183       2.677742  24.63191       3.418714  932.1226 57.01711 941.4626 72.27754 -9.340088      92.05973 
1 1 1 10  17 11 o 599.4026 67.09044 10.00779       2.001014  0.000000       0.000000  10.00779       2.001014  ?        ?        599.4026 67.09044 ?              ?        
1 1 1 10  17 12 o 682.1968 74.47453 15.47426       1.987222  16.20125       2.281934  13.19243       4.042772  767.2362 59.20552 597.1573 136.6767 170.0789       148.9491 
1 1 1 10  17 13 o 244.1379 54.34830 1.280925       0.9104600 3.489477       1.396578  -0.3514999     1.200682  333.8885 82.98103 154.3873 70.20755 179.5013       108.6966 
1 1 1 10  17 14 f 349.5795 65.98856 4.136038       1.177856  3.848684       1.541785  4.538823       1.825373  339.4282 88.72685 359.7307 97.70111 -20.30252      131.9771 
1 1 1 10  17 15 o 295.4704 64.88610 3.097755       1.106095  3.853931       1.556341  2.326002       1.572289  333.5981 90.05210 257.3427 93.44219 76.25543       129.7722 
1 1 1 10  17 16 o 236.0903 65.96040 1.714721       1.227589  3.081037       1.811645  0.5547743      1.669233  279.9013 100.4848 192.2793 85.47451 87.62198       131.9208 
1 1 1 10  18 0  o 585.8200 71.27745 9.004781       1.686393  8.587859       1.892585  10.61150       3.715343  569.0143 66.98000 602.6257 125.8395 -33.61145      142.5549 
1 1 1 10  18 1  o 429.7133 44.16551 4.883461       0.9284912 4.622350       1.243719  5.212201       1.395522  417.1555 60.66767 442.2710 64.20126 -25.11548      88.33102 
1 1 1 10  18 2  o 733.8504 60.47817 15.24958       1.895503  13.25955       3.582863  16.02307       2.233702  684.8618 106.8197 782.8391 56.74501 -97.97729      120.9563 
1 1 1 10  18 3  o 761.5011 71.99552 16.30775       2.702758  17.12793       3.833485  15.49710       3.811166  782.8113 98.93735 740.1909 104.6175 42.62042       143.9910 
1 1 1 10  18 4  o 672.0446 73.35679 12.79317       2.400688  11.93066       3.187942  13.92301       3.648682  648.0475 100.4158 696.0417 106.9652 -47.99426      146.7136 
1 1 1 10  18 5  o 423.8351 94.25003 5.608748       2.268581  4.736627       3.125102  6.580293       3.298426  392.3381 132.5120 455.3321 134.0629 -62.99393      188.5001 
1 1 1 10  18 6  o 397.7016 76.50623 4.426496       1.484486  4.426496       1.484486  0.000000       0.000000  397.7016 76.50623 ?        ?        ?              ?        
1 1 1 10  18 7  o 244.7958 59.37503 1.611101       0.8930050 1.349923       1.337149  1.821375       1.199788  233.9126 85.98291 255.6791 81.90554 -21.76649      118.7501 
1 1 1 10  18 8  o 333.8964 71.08769 3.585678       1.303258  2.230405       2.548902  4.065401       1.516473  293.4049 115.9658 374.3879 82.25437 -80.98306      142.1754 
1 1 1 10  18 9  o 225.5235 59.38213 1.231084       0.9373862 1.747425       1.271260  0.6158149      1.387709  249.2037 84.51456 201.8433 83.44005 47.36040       118.7643 
1 1 1 10  18 10 o 315.9961 64.99966 2.924327       1.081193  3.875480       1.771513  2.359717       1.364878  351.6456 96.55918 280.3466 87.04108 71.29898       129.9993 
1 1 1 10  18 11 o 265.0563 60.38322 2.097346       0.9828714 1.126636       1.436257  2.952327       1.347925  219.5631 86.96455 310.5494 83.79558 -90.98630      120.7664 
1 1 1 10  18 12 o 457.3138 53.89735 6.241774       1.202369  6.720489       1.744699  5.808764       1.659324  475.3409 74.98473 439.2868 77.44022 36.05411       107.7947 
1 1 1 10  18 13 o 150.4203 48.41159 -0.5291878     0.7944558 0.4410302      1.290459  -1.121344      1.008156  180.8767 77.86465 119.9638 57.54845 60.91283       96.82318 
1 1 1 10  18 14 o 366.2903 63.57342 4.653385       1.174015  5.017849       1.609927  4.239440       1.715736  389.3613 84.12821 343.2193 95.33501 46.14206       127.1468 
1 1 1 10  18 15 o 243.2444 64.95187 2.099933       1.108948  2.465257       1.522644  1.687267       1.618300  259.6700 92.23824 226.8189 91.47181 32.85103       129.9037 
1 1 1 10  18 16 o 208.3412 64.30048 1.251992       1.279169  1.062646       1.768353  1.459815       1.852626  202.3254 89.04766 214.3571 92.78318 -12.03172      128.6010 
1 1 1 10  19 0  o 470.1066 97.32169 7.029706       2.526827  8.446767       3.446327  5.382362       3.715817  523.2923 130.5224 416.9209 144.3951 106.3714       194.6434 
1 1 1 10  19 1  o 425.7467 96.84373 5.634619       2.407110  4.458796       3.393327  6.825587       3.415113  386.3770 137.6489 465.1164 136.2630 -78.73932      193.6875 
1 1 1 10  19 2  o 562.5997 67.96184 9.162542       1.591354  8.672551       3.190502  9.324812       1.836045  534.1774 120.8054 591.0222 62.30003 -56.84479      135.9237 
1 1 1 10  19 3  o 525.9551 65.79776 6.316895       1.480716  11.85865       3.197612  4.804185       1.670630  639.3892 102.2254 412.5210 82.86950 226.8682       131.5955 
1 1 1 10  19 4  o 463.6003 48.24841 5.878007       1.095814  6.385316       1.565977  5.391236       1.533950  484.8442 65.47124 442.3565 70.88833 42.48776       96.49683 
1 1 1 10  19 5  f 372.7733 73.23902 4.407704       1.276134  3.291229       3.044342  4.645704       1.405586  336.4479 128.4486 409.0987 70.40430 -72.65076      146.4780 
1 1 1 10  19 6  o 214.7565 65.15261 0.6362388      0.9217981 -0.1445747     2.746914  0.7353255      0.9785405 240.9413 108.1930 188.5717 72.62041 52.36960       130.3052 
1 1 1 10  19 7  o 301.5068 68.53248 2.929135       1.214069  3.459956       1.365217  0.9222059      2.654567  344.7038 79.80452 258.3098 111.4363 86.39401       137.0650 
1 1 1 10  19 8  o 286.9868 62.84422 2.470015       1.013671  2.143629       1.444289  2.786867       1.423041  269.9536 90.08974 304.0200 87.64371 -34.06638      125.6884 
1 1 1 10  19 9  o 291.8611 61.86937 2.594524       1.010311  1.947577       1.439132  3.223212       1.418680  258.0058 89.83326 325.7165 85.09560 -67.71072      123.7387 
1 1 1 10  19 10 o 512.2138 59.21789 8.322702       1.383381  5.963747       2.176293  9.922143       1.792015  426.8193 102.0881 597.6083 60.04214 -170.7890      118.4358 
1 1 1 10  19 11 o 810.6906 56.61523 18.25841       2.309068  18.25841       2.309068  0.000000       0.000000  810.6906 56.61523 ?        ?        ?              ?        
1 1 1 10  19 12 o 354.4773 81.53491 4.030352       1.432751  0.000000       0.000000  4.030352       1.432751  ?        ?        354.4773 81.53491 ?              ?        
1 1 1 10  19 13 o 274.5985 80.50133 2.388983       1.448636  1.744378       1.587847  5.589127       3.537908  231.1866 91.47983 318.0104 132.4888 -86.82381      161.0027 
1 1 1 10  19 14 o 176.8701 54.50830 0.4470728      0.9284228 0.7942595      1.271719  0.5085394E-01  1.358555  187.0366 78.77654 166.7037 75.35831 20.33296       109.0166 
1 1 1 10  19 15 o 274.9600 68.49014 2.945877       1.224698  1.889532       1.632221  4.306736       1.852605  227.6747 91.84772 322.2453 101.6247 -94.57060      136.9803 
1 1 1 10  20 0  o 234.5606 64.17691 1.298055       1.037280  1.866883       1.086301  -4.581265      3.492393  258.2781 77.15693 210.8431 102.5744 47.43501       128.3538 
1 1 1 10  20 1  o 252.6642 74.12112 0.7871289      1.045026  2.501731       3.128734  0.5718242      1.108699  316.7190 127.3765 188.6093 75.83518 128.1097       148.2422 
1 1 1 10  20 2  o 305.6527 66.75063 3.069431       1.061979  3.475846       1.120008  -0.5504861     3.342614  355.0178 64.69804 256.2876 116.7765 98.73022       133.5013 
1 1 1 10  20 3  o 661.0342 41.36825 11.79337       1.360136  12.46526       1.859177  11.01969       1.995047  684.2281 54.11209 637.8403 62.58761 46.38782       82.73650 
1 1 1 10  20 4  o 297.5507 53.31866 2.534821       0.8328712 1.647316       1.161120  3.475410       1.195341  243.6798 80.75091 351.4216 69.64776 -107.7419      106.6373 
1 1 1 10  20 5  o 276.0536 55.44436 2.218763       0.8690654 1.188196       1.265877  3.137542       1.195250  221.2874 83.21238 330.8198 73.29397 -109.5323      110.8887 
1 1 1 10  20 6  o 323.5690 73.30373 2.889754       1.099361  4.004607       2.773097  2.681869       1.197480  344.8484 124.2665 302.2897 77.79186 42.55869       146.6075 
1 1 1 10  20 7  o 198.1223 62.97217 0.1397316      1.103717  0.4211986      1.209413  -1.262699      2.699614  183.7832 77.08336 212.4613 99.59986 -28.67812      125.9443 
1 1 1 10  20 8  o 320.1272 61.32340 3.164469       1.018393  3.089848       1.426131  3.242114       1.454745  316.3583 86.54037 323.8961 86.90800 -7.537750      122.6468 
1 1 1 10  20 9  o 173.1825 51.87032 -0.3957293E-01 0.7876564 1.183236       1.326916  -0.7048650     0.9787462 216.6613 84.24924 129.7037 60.53253 86.95764       103.7406 
1 1 1 10  20 10 o 339.3471 58.95550 3.627309       1.000046  3.813790       1.510107  3.481645       1.334647  344.5065 86.66048 334.1877 79.95601 10.31876       117.9110 
1 1 1 10  20 11 o 234.1683 57.88837 1.752133       0.8781884 1.148890       1.348186  2.196737       1.157419  208.1209 83.64482 260.2156 80.04871 -52.09470      115.7767 
1 1 1 10  20 12 o 278.2195 63.10327 3.034774       1.255540  0.1612742      2.286372  4.275416       1.502327  201.4355 93.50854 355.0036 84.75992 -153.5681      126.2065 
1 1 1 10  20 13 o 124.6066 60.99203 -1.757793      1.290282  -1.757793      1.290282  0.000000       0.000000  124.6066 60.99203 ?        ?        ?              ?        
1 1 1 10  20 14 o 252.7997 63.97660 2.389947       1.020366  2.041198       1.312865  2.921986       1.621566  236.3779 85.45389 269.2215 95.23473 -32.84352      127.9532 
1 1 1 10  20 15 o 257.0555 72.06106 3.230344       1.398409  3.172663       2.224466  3.268035       1.798159  248.8487 104.4658 265.2624 99.28790 -16.41368      144.1221 
1 1 1 10  21 0  o 307.7673 56.11145 2.691591       0.9243997 1.571322       1.257062  4.010729       1.364083  240.5428 83.94698 374.9918 74.47742 -134.4490      112.2229 
1 1 1 10  21 1  f 164.0465 58.38043 -2.051111      0.6340193 0.8576628      2.650550  -2.227646      0.6529754 256.4647 110.9944 71.62837 36.23991 184.8363       116.7609 
1 1 1 10  21 2  o 350.8683 50.45803 3.472150       0.8582792 3.245744       1.128896  3.782285       1.321256  338.7349 68.18784 363.0018 74.39403 -24.26688      100.9161 
1 1 1 10  21 3  o 312.5687 69.73644 3.333654       1.281759  0.4410442      3.108145  3.926382       1.406966  258.0909 115.5465 367.0464 78.11327 -108.9555      139.4729 
1 1 1 10  21 4  o 377.6511 50.70974 4.077912       0.9330976 3.728415       1.284176  4.468820       1.358125  359.3399 73.07734 395.9624 70.32507 -36.62250      101.4195 
1 1 1 10  21 5  o 263.7626 75.41447 0.8108951      1.092428  0.2969488      1.166279  4.487803       3.119501  176.3610 74.92015 351.1642 130.9058 -174.8032      150.8289 
1 1 1 10  21 6  o 263.5205 56.97611 2.063327       0.8201931 2.224822       1.288005  1.953171       1.063757  270.5237 84.64700 256.5173 76.28889 14.00641       113.9522 
1 1 1 10  21 7  f 317.8088 73.23833 3.117675       1.176725  3.928961       2.648883  2.918209       1.313440  328.1310 120.9582 307.4867 82.61073 20.64423       146.4767 
1 1 1 10  21 8  o 369.9458 81.30311 4.607003       1.415254  4.349163       1.540461  6.002507       3.583776  373.4584 83.56319 366.4332 139.4918 7.025177       162.6062 
1 1 1 10  21 9  o 211.1478 57.69974 1.210930       0.8443416 1.087820       1.512928  1.266618       1.017544  212.7451 87.44723 209.5505 75.29955 3.194595       115.3995 
1 1 1 10  21 10 f 106.1106 37.08914 -1.327068      0.5748917 -1.160373      1.141490  -1.383718      0.6654473 127.7510 61.27128 84.47018 41.81203 43.28078       74.17828 
1 1 1 10  21 11 o 258.9442 60.37988 2.334963       0.9320890 2.923132       1.362536  1.817611       1.277878  286.8417 86.57576 231.0467 84.18763 55.79501       120.7598 
1 1 1 10  21 12 o 263.4014 58.15698 2.264664       0.9746342 4.118686       1.469793  0.8096189      1.302078  341.0584 85.33245 185.7444 79.03992 155.3140       116.3140 
1 1 1 10  21 13 o 163.3746 51.59696 0.3124413E-01  0.8513291 1.069629       1.398548  -0.5800268     1.073038  194.4656 82.29600 132.2836 62.26038 62.18199       103.1939 
1 1 1 10  21 14 o 294.6539 62.96850 3.480968       1.059351  4.544386       1.540255  2.526376       1.459317  343.2206 88.17265 246.0872 89.92060 97.13335       125.9370 
1 1 1 10  22 0  o 358.8629 69.98642 3.485086       0.8309992 4.885075       3.070817  3.374463       0.8632067 364.9812 130.8466 352.7447 49.71485 12.23645       139.9728 
1 1 1 10  22 1  o 300.6791 84.45769 2.639122       2.044788  0.7349764      3.060803  4.173917       2.747960  257.4190 114.9958 343.9393 123.7270 -86.52032      168.9154 
1 1 1 10  22 2  o 324.1493 74.87566 3.209649       1.228688  3.888916       2.798396  3.047425       1.367559  332.2433 123.9593 316.0552 84.02113 16.18814       149.7513 
1 1 1 10  22 3  o 262.6011 73.79973 1.221928       1.037298  3.924879       2.936105  0.8364488      1.108800  330.0549 126.1119 195.1473 76.69019 134.9076       147.5995 
1 1 1 10  22 4  o 279.0362 72.53097 2.046243       0.9327144 1.965498       0.9743342 2.931262       3.225713  257.5453 71.95097 300.5271 125.9604 -42.98178      145.0619 
1 1 1 10  22 5  o 268.5548 55.96711 2.205577       0.8107742 2.184753       1.210054  2.222542       1.092198  266.3965 81.83180 270.7132 76.37295 -4.316711      111.9342 
1 1 1 10  22 6  o 419.7529 55.05693 5.354815       1.115215  3.781021       1.537754  7.100902       1.619743  343.3252 88.04797 496.1807 66.12578 -152.8556      110.1139 
1 1 1 10  22 7  o 624.7539 76.40693 14.52584       2.086414  10.22528       3.525331  16.84426       2.588413  490.3654 136.8150 759.1424 68.07144 -268.7770      152.8139 
1 1 1 10  22 8  o 219.8355 68.65520 1.036922       1.317538  1.330256       1.425354  -0.6849340     3.453341  217.1214 86.43235 222.5495 106.6939 -5.428116      137.3104 
1 1 1 10  22 9  o 242.5624 57.90013 1.967808       0.8320995 2.016234       1.343741  1.937689       1.059728  242.2976 86.58794 242.8272 76.89101 -0.5295563     115.8003 
1 1 1 10  22 10 o 202.4403 57.00215 1.219865       0.8601210 1.490130       1.373960  1.045691       1.102988  213.7296 84.92983 191.1510 76.05198 22.57863       114.0043 
1 1 1 10  22 11 o 172.1729 52.47209 0.5000944      0.8627651 -0.1775852     1.278859  1.066171       1.168821  153.5659 70.80777 190.7800 77.45671 -37.21416      104.9442 
1 1 1 10  22 12 o 167.7524 51.14408 0.5667387      0.7890738 0.1812553      1.321099  0.7805304      0.9838477 163.1091 73.96933 172.3957 70.64990 -9.286530      102.2882 
1 1 1 10  22 13 o 171.4565 57.48430 0.1004036      0.9293577 1.391101       2.495094  -0.1075089     1.001417  205.1453 96.03695 137.7678 63.20352 67.37746       114.9686 
1 1 1 10  23 0  o 171.2247 55.61045 0.3274765      0.5323104 -2.514091      3.016295  0.4188208      0.5407985 200.9377 97.17034 141.5117 54.11111 59.42596       111.2209 
1 1 1 10  23 1  o 297.0789 66.18555 3.210105       1.148082  0.3023307      3.112623  3.667999       1.235175  242.2177 111.2349 351.9401 71.75581 -109.7224      132.3711 
1 1 1 10  23 2  o 224.0988 53.31484 1.464861       0.7450979 1.916792       1.002504  0.9071116      1.113702  251.9957 73.82800 196.2018 76.93709 55.79384       106.6297 
1 1 1 10  23 3  o 189.3425 49.02901 0.9168615      0.5864686 0.8577030      0.7145491 1.038969       1.026582  179.3916 63.24421 199.2933 74.93694 -19.90173      98.05801 
1 1 1 10  23 4  o 386.5369 73.42756 5.835755       1.435992  4.088667       3.247609  6.260348       1.601005  313.8501 128.4598 459.2237 71.16537 -145.3736      146.8551 
1 1 1 10  23 5  o 194.4628 59.80432 0.6715062      0.8169575 -0.1593384     2.529616  0.7682554      0.8632141 211.4677 98.22998 177.4578 68.24292 34.00987       119.6086 
1 1 1 10  23 6  f 414.2065 72.84318 5.266016       1.471764  5.266016       1.471764  0.000000       0.000000  414.2065 72.84318 ?        ?        ?              ?        
1 1 1 10  23 7  o 288.8158 80.16418 3.126497       1.436097  2.779474       1.565980  4.961984       3.601497  275.7081 93.79953 301.9235 130.0263 -26.21545      160.3284 
1 1 1 10  23 8  o 197.5577 70.20723 1.210283       0.8822417 0.000000       0.000000  1.210283       0.8822417 ?        ?        197.5577 70.20723 ?              ?        
1 1 1 10  23 9  o 203.4171 67.12908 0.7075484      1.170191  0.5297554      1.239470  2.165917       3.549870  172.4562 75.25732 234.3781 111.1827 -61.92189      134.2582 
1 1 1 10  23 10 o 189.7285 54.54432 0.9466158      0.8250192 1.789554       1.300012  0.3781926      1.067543  220.3813 83.98520 159.0757 69.61909 61.30556       109.0886 
1 1 1 10  23 11 o 252.8645 60.04917 2.568460       0.9477897 1.952351       1.488645  2.988456       1.229095  222.0143 88.34608 283.7148 81.35466 -61.70045      120.0983 
1 1 1 10  23 12 o 279.7681 62.54780 3.242718       0.9815702 3.458273       1.554908  3.099908       1.265625  278.5931 93.47375 280.9431 83.13585 -2.349945      125.0956 
1 1 1 10  24 0  o 213.2043 66.10579 0.7052847      0.7586178 1.979214       3.003066  0.6184487      0.7840468 260.6368 115.3112 165.7718 64.67786 94.86501       132.2116 
1 1 1 10  24 1  o 248.4180 67.24777 1.401994       0.6298280 3.108110       3.095521  1.328314       0.6432840 283.7044 121.3242 213.1317 58.04721 70.57272       134.4955 
1 1 1 10  24 2  o 343.0928 64.64457 4.612895       0.9519296 2.529222       3.305751  4.801301       0.9940350 269.6143 120.0438 416.5714 48.01218 -146.9572      129.2891 
1 1 1 10  24 3  o 224.0479 69.16371 0.9597026      0.9536368 2.549223       3.151776  0.7995181      1.000535  265.7466 117.8241 182.3491 72.47044 83.39751       138.3274 
1 1 1 10  24 4  o 260.2437 76.04626 2.195882       1.064883  0.000000       0.000000  2.195882       1.064883  ?        ?        260.2437 76.04626 ?              ?        
1 1 1 10  24 5  o 243.8802 111.8098 1.964132       3.126766  1.964132       3.126766  0.000000       0.000000  243.8802 111.8098 ?        ?        ?              ?        
1 1 1 10  24 6  o 187.5864 56.57344 0.8796922      0.7766080 -0.8200753     2.590466  1.047548       0.8140513 188.6880 90.94889 186.4849 67.30910 2.203049       113.1469 
1 1 1 10  24 7  o 301.3910 58.23953 3.261537       0.9062704 3.284897       1.427862  3.245777       1.172779  293.8354 88.61344 308.9466 75.59782 -15.11115      116.4791 
1 1 1 10  24 8  o 282.6406 69.87209 3.393138       1.133152  4.187489       2.791382  3.236407       1.239913  265.7349 114.4566 299.5463 80.17562 -33.81140      139.7442 
1 1 1 10  24 9  o 223.4626 66.95860 2.083272       1.225039  2.197786       1.295293  1.112697       3.770968  235.7892 84.93294 211.1359 103.5385 24.65326       133.9172 
1 1 1 10  24 10 o 134.6856 49.07718 -1.819210      0.9580352 -1.588956      0.9950012 -4.746437      3.547714  104.7060 51.70003 164.6652 83.43492 -59.95914      98.15437 
1 1 1 10  24 11 o 177.8199 52.53682 1.036445       0.7822554 0.8002463      1.368490  1.151079       0.9533666 173.3876 77.21551 182.2523 71.26175 -8.864731      105.0736 
1 1 1 10  25 0  o 290.0695 70.01443 2.295389       0.7282566 5.329051       3.231399  2.133061       0.7474868 312.0341 127.9763 268.1049 56.83452 43.92920       140.0289 
1 1 1 10  25 1  f 295.3297 76.22051 2.426030       0.9712751 6.714268       3.281446  2.014262       1.016839  343.6378 132.8034 247.0216 74.84329 96.61620       152.4410 
1 1 1 10  25 2  o 417.4503 75.44912 7.622596       1.474135  7.148858       3.665764  7.713984       1.610056  332.2326 136.2887 502.6680 64.77389 -170.4354      150.8982 
1 1 1 10  25 3  o 144.8271 54.42143 0.3083759      0.5345422 -8.517816      3.403992  0.5315295      0.5412575 ?        ?        144.8271 54.42143 ?              ?        
1 1 1 10  25 4  o 243.2465 115.1152 2.991751       3.761553  2.991751       3.761553  0.000000       0.000000  243.2465 115.1152 ?        ?        ?              ?        
1 1 1 10  25 5  o 193.3361 94.03592 -0.3362619     2.930731  -0.3362619     2.930731  0.000000       0.000000  193.3361 94.03592 ?        ?        ?              ?        
1 1 1 10  25 6  o 171.4152 63.24058 0.8978953      0.7243235 0.000000       0.000000  0.8978953      0.7243235 ?        ?        171.4152 63.24058 ?              ?        
1 1 1 10  25 7  o 244.5723 69.36496 2.564506       1.129843  2.316928       1.225109  3.973229       2.922350  242.1571 82.96220 246.9875 111.1902 -4.830414      138.7299 
1 1 1 10  25 8  f 133.4870 47.42295 -0.1759327     0.5002843 -3.462952      3.206231  -0.9390680E-01 0.5064880 164.2666 82.80025 102.7074 46.25867 61.55930       94.84590 
1 1 1 10  25 9  o 153.7077 54.18718 -0.2050167E-01 0.5901877 0.9829484      3.257753  -0.5455289E-01 0.6001180 195.5231 95.95325 111.8923 50.37831 83.63078       108.3744 
1 1 1 10  25 10 o 143.5515 44.94530 0.3600530      0.6333412 -0.1520737     1.205979  0.5550893      0.7442328 140.6974 66.15305 146.4056 60.86126 -5.708160      89.89059 
1 1 1 10  26 0  o 180.0415 61.93047 0.9936850E-01  0.4705167 4.033595       3.149668  0.9567421E-02  0.4758563 254.1811 114.8371 105.9020 46.41084 148.2791       123.8609 
1 1 1 10  26 1  o 195.0953 60.30073 1.044206       0.7765694 0.9867695      3.190477  1.047823       0.8006486 208.3717 100.5580 181.8189 66.57925 26.55276       120.6015 
1 1 1 10  26 2  o 199.0949 62.35302 0.7976365      0.5468619 3.673201       3.156555  0.7086577      0.5552583 242.4667 111.5959 155.7232 55.65933 86.74353       124.7060 
1 1 1 10  26 3  o 219.5505 104.8303 2.357217       3.261326  2.357217       3.261326  0.000000       0.000000  219.5505 104.8303 ?        ?        ?              ?        
1 1 1 10  26 4  o 219.2314 106.4654 2.734060       3.718024  2.734060       3.718024  0.000000       0.000000  219.2314 106.4654 ?        ?        ?              ?        
1 1 1 10  26 5  o 242.7474 110.3801 4.231127       2.967062  0.000000       0.000000  4.231127       2.967062  ?        ?        242.7474 110.3801 ?              ?        
1 1 1 10  26 6  o 302.8317 127.4215 8.170987       3.321919  0.000000       0.000000  8.170987       3.321919  ?        ?        302.8317 127.4215 ?              ?        
1 1 1 10  26 7  o 166.6170 50.48701 0.8141816      0.6320682 -1.710579      2.702222  0.9603125      0.6501027 162.2946 80.97813 170.9394 60.31827 -8.644760      100.9740 
1 1 1 10  26 8  o 155.4931 44.45455 0.7186789      0.5780184 -0.1355208     1.118143  1.030196       0.6752404 137.1996 64.24827 173.7867 61.45721 -36.58707      88.90910 
1 1 1 10  26 9  o 200.8954 63.39646 1.263341       0.7306489 6.211698       3.251875  1.000248       0.7498208 233.9420 109.5562 167.8488 63.82702 66.09317       126.7929 
1 1 1 10  27 0  o 203.5941 62.75972 1.044269       0.6064741 4.650584       3.215019  0.9112058      0.6175613 238.8414 110.8768 168.3468 58.83424 70.49455       125.5194 
1 1 1 10  27 1  o 161.8663 51.80379 0.5851436      0.5027648 -0.8462695     3.258822  0.6200444      0.5088571 178.3119 88.96326 145.4207 53.10434 32.89113       103.6076 
1 1 1 10  27 2  o 194.5638 54.63172 1.528518       0.8430965 -2.573581      3.353595  1.805272       0.8710727 166.9258 84.20715 222.2019 69.62511 -55.27614      109.2634 
1 1 1 10  27 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 10  27 4  o 188.1918 67.09451 0.1693826      2.894746  -1.579741      3.846811  2.452955       4.395395  175.6877 88.80109 200.6960 100.6035 -25.00829      134.1890 
1 1 1 10  27 5  o 160.9896 80.48752 -1.447405      2.729443  0.000000       0.000000  -1.447405      2.729443  ?        ?        160.9896 80.48752 ?              ?        
1 1 1 10  27 6  o 224.3392 70.57110 3.115324       1.764997  0.1765138      2.439852  6.341577       2.556389  169.1896 83.03186 279.4889 114.1351 -110.2993      141.1422 
1 1 1 10  27 7  f 149.8488 48.10362 0.5618424      0.5979580 -1.752979      2.827871  0.6701865      0.6117916 153.5101 77.42544 146.1875 57.10635 7.322617       96.20724 
1 1 1 10  27 8  o 157.1424 47.50697 0.7050860      0.6019353 1.619323       1.158633  0.3671101      0.7044651 184.1936 76.20128 130.0912 56.75398 54.10233       95.01394 
1 1 1 10  28 0  o 229.7456 70.85313 2.165134       1.025738  8.209314       3.416287  1.566265       1.075354  265.3297 119.7616 194.1616 75.74844 71.16808       141.7063 
1 1 1 10  28 1  o 108.0075 47.37362 -0.3774790E-01 0.4914958 -5.749979      3.394315  0.8458512E-01  0.4967309 ?        ?        108.0075 47.37362 ?              ?        
1 1 1 10  28 2  o 181.5390 56.70674 1.105774       0.6901345 2.467155       3.343760  1.045200       0.7053209 191.5391 94.61209 171.5390 62.53936 20.00006       113.4135 
1 1 1 10  28 3  o 206.4279 102.8446 -1.427059      2.671650  -6.058178      3.414239  5.887228       4.290787  ?        ?        206.4279 102.8446 ?              ?        
1 1 1 10  28 4  o 182.1303 92.47620 2.515507       4.517715  0.000000       0.000000  2.515507       4.517715  ?        ?        182.1303 92.47620 ?              ?        
1 1 1 10  28 5  o 165.0553 82.60408 0.5570521      2.908550  0.000000       0.000000  0.5570521      2.908550  ?        ?        165.0553 82.60408 ?              ?        
1 1 1 10  28 6  o 189.7072 92.77305 4.161791       2.965165  4.161791       2.965165  0.000000       0.000000  189.7072 92.77305 ?        ?        ?              ?        
1 1 1 10  29 0  o 118.8835 52.44218 0.5934710E-01  0.6069723 -4.929584      3.434959  0.2201445      0.6166764 ?        ?        118.8835 52.44218 ?              ?        
1 1 1 10  29 1  o 185.3775 51.90418 1.551784       0.6504121 1.614162       3.491352  1.549541       0.6620008 167.4410 84.62988 203.3139 60.11620 -35.87299      103.8084 
1 1 1 10  29 2  o 211.0039 103.2630 5.191145       2.919737  8.514299       3.693606  -0.3442555     4.767052  211.0039 103.2630 ?        ?        ?              ?        
1 1 1 10  29 3  o 184.5048 93.57668 7.985735       4.535870  0.000000       0.000000  7.985735       4.535870  ?        ?        184.5048 93.57668 ?              ?        
1 1 1 11  0  0  o 577.7150 40.02133 8.712517       1.618932  8.712517       1.618932  8.712517       1.618932  577.7150 56.59871 577.7150 56.59871 0.000000       0.000000 
1 1 1 11  0  1  o 611.5716 41.51543 9.754395       1.779360  9.754395       1.779360  9.754395       1.779360  611.5716 58.71169 611.5716 58.71169 0.000000       0.000000 
1 1 1 11  0  2  o 914.1723 38.71989 21.43296       2.513494  21.43296       2.513494  21.43296       2.513494  914.1723 54.75819 914.1723 54.75819 0.000000       0.000000 
1 1 1 11  0  3  f 248.6572 83.91500 2.318778       1.711734  2.318778       1.711734  2.318778       1.711734  248.6572 118.6737 248.6572 118.6737 0.000000       0.000000 
1 1 1 11  0  4  o 1294.128 52.44867 42.97955       4.823186  42.97955       4.823186  42.97955       4.823186  1294.128 74.17361 1294.128 74.17361 0.000000       0.000000 
1 1 1 11  0  5  o 2000.130 61.92610 102.4313       8.829411  102.4313       8.829411  102.4313       8.829411  2000.130 87.57673 2000.130 87.57673 0.000000       0.000000 
1 1 1 11  0  6  o 1782.810 58.58334 81.44442       7.441083  81.44442       7.441083  81.44442       7.441083  1782.810 82.84936 1782.810 82.84936 0.000000       0.000000 
1 1 1 11  0  7  o 1074.960 37.59542 29.55323       2.877371  29.55323       2.877371  29.55323       2.877371  1074.960 53.16796 1074.960 53.16796 0.000000       0.000000 
1 1 1 11  0  8  o 561.3672 79.36019 8.978918       2.830294  8.978918       2.830294  8.978918       2.830294  561.3672 112.2323 561.3672 112.2323 0.000000       0.000000 
1 1 1 11  0  9  o 110.8359 55.39243 -2.174196      1.786764  -2.174196      1.786764  -2.174196      1.786764  110.8359 78.33672 110.8359 78.33672 0.000000       0.000000 
1 1 1 11  0  10 o 1198.644 53.09503 37.20421       4.515633  37.20421       4.515633  37.20421       4.515633  1198.644 75.08772 1198.644 75.08772 0.000000       0.000000 
1 1 1 11  0  11 o 742.6736 64.23816 14.85193       3.279057  14.85193       3.279057  14.85193       3.279057  742.6736 90.84647 742.6736 90.84647 0.000000       0.000000 
1 1 1 11  0  12 o 869.0491 39.26726 19.55743       2.420406  19.55743       2.420406  19.55743       2.420406  869.0491 55.53230 869.0491 55.53230 0.000000       0.000000 
1 1 1 11  0  13 o 82.02449 41.55446 -1.776275      1.139325  -1.776275      1.139325  -1.776275      1.139325  82.02449 58.76688 82.02449 58.76688 0.000000       0.000000 
1 1 1 11  0  14 o 89.46556 45.01356 -1.671591      1.250714  -1.671591      1.250714  -1.671591      1.250714  89.46556 63.65879 89.46556 63.65879 0.000000       0.000000 
1 1 1 11  0  15 o 184.9888 76.93935 1.219821       1.728873  1.219821       1.728873  1.219821       1.728873  184.9888 108.8087 184.9888 108.8087 0.000000       0.000000 
1 1 1 11  0  16 o 242.7164 90.69823 2.585497       2.107562  2.585497       2.107562  2.585497       2.107562  242.7164 128.2667 242.7164 128.2667 0.000000       0.000000 
1 1 1 11  0  17 o 293.8010 101.4623 4.050871       2.520417  4.050871       2.520417  4.050871       2.520417  293.8010 143.4893 293.8010 143.4893 0.000000       0.000000 
1 1 1 11  0  18 o 189.3773 78.17294 1.622300       1.761567  1.622300       1.761567  1.622300       1.761567  189.3773 110.5532 189.3773 110.5532 0.000000       0.000000 
1 1 1 11  0  19 o 125.2125 59.94453 -0.2813086     1.591465  -0.2813086     1.591465  -0.2813086     1.591465  125.2125 84.77436 125.2125 84.77436 0.000000       0.000000 
1 1 1 11  0  20 o 125.3478 60.79367 -0.3852445     1.753698  -0.3852445     1.753698  -0.3852445     1.753698  125.3478 85.97523 125.3478 85.97523 0.000000       0.000000 
1 1 1 11  1  0  o 1511.299 55.24017 58.56212       4.211418  57.45160       5.889901  59.72381       6.024053  1496.635 78.00358 1525.964 78.23905 -29.32935      110.4803 
1 1 1 11  1  1  o 1553.651 55.88599 61.92130       4.380689  64.82801       6.145724  58.91901       6.245950  1592.424 76.23087 1514.878 81.74247 77.54578       111.7720 
1 1 1 11  1  2  o 790.8174 51.88955 15.30976       1.933682  13.91578       2.324079  18.44551       3.485719  736.4779 62.93581 845.1569 82.51778 -108.6790      103.7791 
1 1 1 11  1  3  o 1511.406 48.55506 58.04872       3.490309  57.54660       4.262795  59.07006       6.079604  1504.286 55.97322 1518.527 79.35600 -14.24011      97.11012 
1 1 1 11  1  4  o 1660.099 39.74063 70.09783       3.338933  68.41107       4.739581  71.75975       4.704542  1640.150 57.07853 1680.049 55.31104 -39.89868      79.48125 
1 1 1 11  1  5  o 387.4710 58.85089 4.068272       1.136608  2.507440       1.616801  5.593348       1.598175  311.6750 94.36174 463.2670 70.35318 -151.5920      117.7018 
1 1 1 11  1  6  o 304.0432 63.73737 1.478034       1.204283  -0.3048228     1.502807  4.677610       2.013220  189.5875 82.79650 418.4990 96.92549 -228.9114      127.4747 
1 1 1 11  1  7  f 1301.599 45.71263 43.18806       2.851244  42.90930       3.513286  43.72589       4.880026  1298.206 53.45472 1304.991 74.16988 -6.785156      91.42526 
1 1 1 11  1  8  o 3159.277 70.78145 259.2941       10.64341  258.4041       18.46898  259.7366       13.02348  3141.662 116.1181 3176.893 80.97308 -35.23169      141.5629 
1 1 1 11  1  9  o 516.6600 59.05121 6.883776       1.470329  5.414658       1.927414  8.928802       2.274029  449.9469 87.76350 583.3731 79.03004 -133.4262      118.1024 
1 1 1 11  1  10 f 1095.199 53.01778 30.66674       2.939668  0.000000       0.000000  30.66674       2.939668  ?        ?        1095.199 53.01778 ?              ?        
1 1 1 11  1  11 o 621.8052 59.48409 10.36383       1.629346  10.51832       1.931866  9.983139       3.032596  636.7024 60.66544 606.9080 102.3383 29.79443       118.9682 
1 1 1 11  1  12 o 394.1180 59.85086 4.245828       1.160479  3.640425       1.628839  4.869909       1.653775  363.8340 89.13124 424.4019 79.90072 -60.56790      119.7017 
1 1 1 11  1  13 o 402.8246 56.63431 4.573687       1.114805  6.375247       1.572808  2.754780       1.580362  489.9632 65.01101 315.6860 92.75423 174.2772       113.2686 
1 1 1 11  1  14 o 225.4211 63.98075 0.7798645      1.106676  1.152815       1.691412  0.5006928      1.463389  242.9082 94.93512 207.9339 85.79901 34.97426       127.9615 
1 1 1 11  1  15 o 226.8149 65.44207 0.6684746      1.220301  -0.9605316E-01 1.742188  1.404842       1.709801  202.5639 88.78700 251.0659 96.16405 -48.50208      130.8841 
1 1 1 11  1  16 o 237.0155 68.16618 0.8849374      1.282335  0.3619931      1.695176  1.584492       1.960640  211.4758 90.09194 262.5553 102.3228 -51.07956      136.3324 
1 1 1 11  1  17 o 415.2192 74.84279 6.220324       1.702896  2.700425       3.118050  7.716457       2.032840  311.7191 126.5271 518.7192 79.97920 -207.0001      149.6856 
1 1 1 11  1  18 o 328.0038 65.81274 3.260449       1.247425  1.585169       1.696020  5.234717       1.841155  244.8074 95.23362 411.2002 90.86157 -166.3929      131.6255 
1 1 1 11  1  19 o 168.8939 55.66401 -1.281477      1.204444  0.1386428      1.727025  -2.626283      1.680605  196.4825 87.16115 141.3053 69.25937 55.17726       111.3280 
1 1 1 11  1  20 o 216.8131 65.16611 0.8150701      1.294968  -0.1694441     1.849319  1.762251       1.813916  189.8985 86.65555 243.7276 97.35143 -53.82909      130.3322 
1 1 1 11  2  0  o 646.9180 57.08592 11.66313       1.605300  12.85996       1.938013  9.046963       2.865321  708.8976 54.41467 584.9384 100.3706 123.9592       114.1718 
1 1 1 11  2  1  o 388.9286 62.69666 3.105404       1.163196  1.708572       1.357843  6.956831       2.254699  264.3061 87.31145 513.5511 90.00107 -249.2451      125.3933 
1 1 1 11  2  2  o 762.5962 56.38611 15.10662       1.941619  15.22654       2.313895  14.82125       3.569430  771.1469 59.73441 754.0454 95.65237 17.10150       112.7722 
1 1 1 11  2  3  o 800.5170 50.44808 15.96112       1.914902  14.97775       2.325758  18.03072       3.374036  764.8057 60.56142 836.2282 80.69913 -71.42255      100.8962 
1 1 1 11  2  4  o 1295.516 37.24643 42.65906       2.442601  43.24467       3.443719  42.06614       3.465100  1304.516 52.14283 1286.516 53.20066 18.00037       74.49285 
1 1 1 11  2  5  o 1761.176 41.01656 78.92529       3.655507  81.76347       5.174535  76.09778       5.164814  1792.939 57.00621 1729.413 58.98919 63.52649       82.03311 
1 1 1 11  2  6  o 1674.237 40.20559 71.33213       3.407561  72.76936       4.842160  69.92205       4.796205  1690.990 56.56066 1657.484 57.15637 33.50586       80.41119 
1 1 1 11  2  7  o 1977.651 43.13762 99.78797       4.318005  97.23026       6.105274  102.3479       6.107888  1952.098 61.77602 2003.205 60.22573 -51.10693      86.27523 
1 1 1 11  2  8  o 531.4000 49.96452 7.540814       1.258388  9.686531       1.771674  5.356122       1.787693  613.3015 57.73896 449.4986 81.55996 163.8029       99.92905 
1 1 1 11  2  9  o 1315.881 55.57235 45.03104       3.662608  39.96152       5.219227  49.94987       5.141077  1240.423 83.59742 1391.340 73.24354 -150.9172      111.1447 
1 1 1 11  2  10 o 899.6748 51.85249 21.53654       2.093781  19.79583       3.858646  22.26295       2.492662  867.7560 89.09673 931.5936 53.07069 -63.83765      103.7050 
1 1 1 11  2  11 o 851.1395 56.23212 18.67751       2.409432  0.000000       0.000000  18.67751       2.409432  ?        ?        851.1395 56.23212 ?              ?        
1 1 1 11  2  12 o 297.0663 72.62772 1.252832       1.269904  0.2260410      1.467002  4.322431       2.536475  201.2463 84.67712 392.8862 118.0209 -191.6399      145.2554 
1 1 1 11  2  13 f 550.8607 51.12630 8.121098       1.390869  8.216581       1.950273  8.022268       1.984136  554.6859 71.08424 547.0355 73.50256 7.650452       102.2526 
1 1 1 11  2  14 o 402.9040 66.03841 4.615277       1.319985  4.708002       1.905911  4.529801       1.829891  406.4385 94.42635 399.3695 92.34689 7.069031       132.0768 
1 1 1 11  2  15 o 515.6890 70.40910 8.124434       1.684554  9.199610       2.113249  6.250444       2.789940  580.5510 73.54903 450.8269 120.0846 129.7240       140.8182 
1 1 1 11  2  16 o 802.1294 61.81444 17.26983       2.490908  0.000000       0.000000  17.26983       2.490908  ?        ?        802.1294 61.81444 ?              ?        
1 1 1 11  2  17 f 565.9509 66.12010 9.931706       1.675214  8.257548       2.865587  10.80091       2.064791  506.3164 114.4775 625.5854 66.19948 -119.2690      132.2402 
1 1 1 11  2  18 o 315.4586 83.43599 2.982647       1.614924  2.398440       1.872301  4.680191       3.191559  278.8756 101.8600 352.0414 132.1771 -73.16580      166.8720 
1 1 1 11  2  19 o 190.2264 59.72662 0.5218212E-01  1.152621  0.3856918      1.653330  -0.2631848     1.607731  199.9711 87.10074 180.4816 81.74678 19.48952       119.4532 
1 1 1 11  2  20 f 196.7971 60.70440 0.2458538      1.206877  1.307047       1.633082  -1.031145      1.791456  224.0418 91.32754 169.5524 79.99612 54.48947       121.4088 
1 1 1 11  3  0  o 1449.594 37.78694 53.45355       2.772278  55.11279       3.927958  51.80670       3.913269  1472.105 52.70411 1427.082 54.16354 45.02283       75.57388 
1 1 1 11  3  1  o 504.5641 43.85905 6.534674       1.088514  7.651148       1.608671  5.591760       1.478355  545.0729 59.24892 464.0552 64.68407 81.01770       87.71809 
1 1 1 11  3  2  o 956.9905 47.61065 23.45115       2.087149  23.44464       2.486721  23.46668       3.839205  959.0860 51.40070 954.8951 80.15650 4.190918       95.22131 
1 1 1 11  3  3  f 352.1831 73.12956 3.073875       1.254381  2.927922       1.446138  3.517356       2.520810  332.1217 85.49817 372.2446 118.6667 -40.12286      146.2591 
1 1 1 11  3  4  o 529.2000 59.80062 6.540811       1.451449  5.192419       1.722043  9.848811       2.697233  444.3552 79.46426 614.0449 89.38617 -169.6897      119.6012 
1 1 1 11  3  5  o 1179.271 45.58067 34.94394       2.564183  33.86314       3.127833  37.15892       4.477697  1154.111 53.53186 1204.430 73.78841 -50.31946      91.16134 
1 1 1 11  3  6  o 425.4450 57.48385 4.896152       1.183334  6.828897       1.685316  3.016733       1.661903  513.2502 66.41650 337.6398 93.84254 175.6104       114.9677 
1 1 1 11  3  7  o 1725.918 40.73756 75.95081       3.559399  74.96478       5.027490  76.94177       5.040035  1714.621 57.91611 1737.215 57.30549 -22.59448      81.47512 
1 1 1 11  3  8  o 1524.728 47.90423 59.20982       3.497419  58.28168       4.294094  61.03877       6.027923  1510.950 56.13551 1538.506 77.64063 -27.55603      95.80846 
1 1 1 11  3  9  o 1051.988 49.15459 28.70413       2.430866  28.15464       4.250781  28.97115       2.963209  1040.727 81.32281 1063.249 55.23854 -22.52148      98.30918 
1 1 1 11  3  10 f 904.2928 39.95274 21.02533       1.819204  21.80272       2.585281  20.26284       2.560386  921.1074 55.70079 887.4784 57.29142 33.62897       79.90547 
1 1 1 11  3  11 o 1332.508 53.79529 46.31875       3.611176  44.20937       5.096780  48.44510       5.117231  1301.090 77.73118 1363.926 74.38816 -62.83606      107.5906 
1 1 1 11  3  12 o 868.5124 56.57390 19.55678       2.473994  19.55678       2.473994  0.000000       0.000000  868.5124 56.57390 ?        ?        ?              ?        
1 1 1 11  3  13 o 357.9572 70.13904 3.931912       1.453987  1.119354       2.530923  5.317436       1.776377  276.0023 113.2358 439.9121 82.79846 -163.9098      140.2781 
1 1 1 11  3  14 o 601.6815 59.20085 8.967353       1.649483  13.21294       3.037985  7.192554       1.964224  690.8215 88.92812 512.5414 78.17129 178.2800       118.4017 
1 1 1 11  3  15 o 250.1072 64.86012 1.412510       1.093152  0.7822315      1.462897  2.209445       1.644974  216.5131 87.09081 283.7013 96.13808 -67.18816      129.7202 
1 1 1 11  3  16 o 975.2556 52.68303 25.95407       2.371519  26.67225       4.283124  25.63655       2.847907  969.4265 88.23519 981.0846 57.58956 -11.65808      105.3661 
1 1 1 11  3  17 o 577.9655 69.24127 10.25850       1.893250  9.424963       2.989217  10.81684       2.446510  542.7084 112.4893 613.2225 80.76868 -70.51410      138.4825 
1 1 1 11  3  18 o 320.2672 79.69791 3.570765       1.601402  3.929146       1.859270  2.540882       3.151838  346.6092 100.2557 293.9252 123.9186 52.68396       159.3958 
1 1 1 11  3  19 o 237.3040 62.39614 1.400953       1.130810  -0.1846160     1.695906  2.670242       1.517362  186.3518 84.22231 288.2562 92.08539 -101.9044      124.7923 
1 1 1 11  3  20 o 274.7283 70.59756 2.616066       1.295087  3.097745       1.750180  2.033117       1.925391  296.7220 99.17152 252.7346 100.5041 43.98738       141.1951 
1 1 1 11  4  0  o 1581.766 47.05449 62.70730       3.574719  67.16888       6.208776  60.49495       4.372082  1621.510 75.63151 1542.022 56.00336 79.48767       94.10899 
1 1 1 11  4  1  o 598.0521 50.31375 8.979577       1.408548  10.06164       2.492719  8.472013       1.707235  622.2139 81.05611 573.8902 59.63054 48.32373       100.6275 
1 1 1 11  4  2  o 1098.722 46.84960 31.27546       2.414087  29.59990       4.216907  32.09229       2.944296  1073.722 78.10970 1123.722 51.75341 -50.00000      93.69920 
1 1 1 11  4  3  f 2191.463 44.47555 122.2720       4.933819  119.8438       6.968997  124.7120       6.985982  2169.540 63.44817 2213.387 62.34282 -43.84741      88.95110 
1 1 1 11  4  4  o 709.1846 56.13590 13.84315       1.673220  14.75814       1.957337  11.35972       3.224654  760.3965 51.14157 657.9727 99.94747 102.4239       112.2718 
1 1 1 11  4  5  f 1524.423 57.04973 59.63444       4.383018  62.32835       6.182604  56.91261       6.214567  1559.663 78.55103 1489.182 82.75520 70.48108       114.0995 
1 1 1 11  4  6  o 1145.127 38.24338 33.49348       2.206921  30.92665       3.139133  36.00203       3.103290  1100.621 56.52702 1189.633 51.52592 -89.01196      76.48676 
1 1 1 11  4  7  f 1232.761 45.65521 39.27199       2.693666  40.09702       3.340894  37.73929       4.553599  1254.544 52.60091 1210.978 74.63738 43.56580       91.31042 
1 1 1 11  4  8  o 253.5725 62.36352 1.490803       1.046023  2.214033       1.263572  -0.8414817E-01 1.864640  289.2828 82.33387 217.8622 93.69081 71.42056       124.7270 
1 1 1 11  4  9  o 1138.932 48.86586 33.50390       2.637902  33.21413       4.570459  33.64864       3.230235  1130.782 80.35886 1147.082 55.62320 -16.29993      97.73171 
1 1 1 11  4  10 o 1250.833 39.02934 40.07677       2.471539  40.38285       3.500908  39.77265       3.489688  1255.626 55.07272 1246.039 55.31864 9.587891       78.05867 
1 1 1 11  4  11 o 768.2288 40.97363 15.27676       1.580800  14.71924       2.239732  15.83017       2.231469  753.8294 59.16180 782.6282 56.70303 -28.79883      81.94726 
1 1 1 11  4  12 o 349.0625 59.00217 3.339872       1.039318  4.145922       1.494975  2.585885       1.445888  390.5068 78.34231 307.6183 88.24684 82.88849       118.0043 
1 1 1 11  4  13 o 429.3100 70.91068 4.001262       1.355786  2.733299       1.534918  8.502313       2.891937  313.4704 91.21387 545.1495 108.5971 -231.6791      141.8214 
1 1 1 11  4  14 o 811.6493 51.55242 17.26648       1.995737  16.25567       2.445729  19.28087       3.452601  783.2998 62.18470 839.9988 82.24155 -56.69897      103.1048 
1 1 1 11  4  15 o 362.1482 70.36122 2.644396       1.492886  0.2819576      1.810716  7.658934       2.638066  216.0574 92.60354 508.2390 105.9594 -292.1815      140.7224 
1 1 1 11  4  16 o 258.3137 75.37273 1.232557       1.567828  1.162087       2.538471  1.276018       1.993497  265.1452 111.4662 251.4823 101.4863 13.66289       150.7455 
1 1 1 11  4  17 o 376.3201 65.88840 4.196902       1.276620  2.822786       1.683393  6.056851       1.958503  302.9869 97.01392 449.6533 89.18199 -146.6664      131.7768 
1 1 1 11  4  18 o 271.4615 64.99454 2.239109       1.150986  3.234946       1.546631  1.003039       1.723114  319.6417 91.13050 223.2813 92.69518 96.36040       129.9891 
1 1 1 11  4  19 o 353.0490 63.20429 4.138230       1.222664  5.797743       1.677821  2.259078       1.785404  438.7867 78.40542 267.3113 99.15503 171.4754       126.4086 
1 1 1 11  4  20 o 574.4307 63.64003 10.49750       1.739685  9.713660       2.193265  11.82734       2.856770  559.1331 79.73947 589.7283 99.20599 -30.59521      127.2801 
1 1 1 11  5  0  o 1262.575 44.10871 39.47912       2.679931  44.46709       4.658937  37.01255       3.276214  1318.612 70.04007 1206.538 53.63490 112.0731       88.21742 
1 1 1 11  5  1  o 387.4229 69.85916 3.415833       1.185206  5.256456       2.582257  2.924597       1.334021  443.0984 114.3432 331.7472 80.29227 111.3512       139.7183 
1 1 1 11  5  2  o 1085.685 44.77324 29.32436       2.324529  32.58251       4.066076  27.74252       2.833166  1128.079 71.56602 1043.291 53.82265 84.78833       89.54649 
1 1 1 11  5  3  o 1302.276 46.57442 42.51678       2.829355  45.26271       5.160432  41.33654       3.383200  1329.241 77.01293 1275.311 52.39958 53.92969       93.14885 
1 1 1 11  5  4  o 3103.771 54.90817 246.1529       8.623496  236.5374       12.17389  255.8369       12.21716  3042.410 79.03654 3165.131 76.24209 -122.7205      109.8163 
1 1 1 11  5  5  o 1989.521 52.33858 101.3135       4.952983  101.6878       6.054353  100.5559       8.612453  1998.245 59.84605 1980.796 85.88224 17.44812       104.6772 
1 1 1 11  5  6  o 1397.916 50.19162 51.38745       3.260026  53.70755       3.964082  46.53951       5.730178  1452.286 53.91466 1343.546 84.67587 108.7402       100.3832 
1 1 1 11  5  7  o 1946.148 51.69413 96.32958       4.832850  94.56147       5.936176  99.80524       8.322807  1923.820 60.94790 1968.476 83.51339 -44.65613      103.3883 
1 1 1 11  5  8  o 850.4897 49.45179 18.78209       2.008635  18.41672       3.378795  18.98178       2.497964  841.2189 80.31147 859.7604 57.72336 -18.54150      98.90358 
1 1 1 11  5  9  o 544.0541 55.75182 7.546427       1.423928  8.656096       2.466106  6.991450       1.744023  570.9959 88.14713 517.1124 68.28722 53.88354       111.5036 
1 1 1 11  5  10 o 314.6719 65.72227 2.689824       1.124107  2.098723       1.808166  3.062198       1.435148  292.9107 100.7675 336.4330 84.40126 -43.52231      131.4445 
1 1 1 11  5  11 o 286.5320 61.29375 2.094330       1.000249  3.032331       1.466042  1.277404       1.368158  333.3780 86.21747 239.6861 87.14497 93.69186       122.5875 
1 1 1 11  5  12 o 1169.828 47.39793 35.62659       2.639937  36.39036       4.566977  35.24331       3.235209  1172.072 77.40033 1167.584 54.73065 4.488159       94.79586 
1 1 1 11  5  13 o 845.4820 48.40062 17.97231       1.921499  16.30517       2.296546  21.86327       3.508462  788.7188 57.91851 902.2452 77.56240 -113.5264      96.80124 
1 1 1 11  5  14 o 479.3795 67.51603 6.164856       1.506161  5.310192       1.825743  7.985663       2.664856  434.3660 86.06605 524.3930 104.0495 -90.02701      135.0321 
1 1 1 11  5  15 o 755.1709 59.43670 16.53405       2.011237  14.04246       3.497243  17.76531       2.458458  693.6307 102.6929 816.7111 59.87536 -123.0804      118.8734 
1 1 1 11  5  16 o 524.9856 59.35480 7.879006       1.511423  9.296796       2.187472  6.583816       2.090757  575.5605 77.00020 474.4107 90.34898 101.1498       118.7096 
1 1 1 11  5  17 o 228.7000 67.49203 0.8304073      1.317120  0.1898531      1.807745  1.555220       1.922969  205.7749 90.31209 251.6250 100.3216 -45.85005      134.9841 
1 1 1 11  5  18 o 225.9603 92.04650 1.163293       1.657464  0.000000       0.000000  1.163293       1.657464  ?        ?        225.9603 92.04650 ?              ?        
1 1 1 11  5  19 o 219.1271 70.04296 -0.1715328     1.805060  1.521703       2.189816  -3.760858      3.188271  246.2152 103.5195 192.0389 94.38098 54.17632       140.0859 
1 1 1 11  5  20 o 214.1690 67.09597 0.7910572      1.326234  0.7895058      1.547917  0.7953400      2.571851  201.1732 85.90578 227.1648 103.0906 -25.99161      134.1919 
1 1 1 11  6  0  o 3321.184 71.68620 282.6942       11.36072  285.8376       19.71071  281.1305       13.90223  3326.664 117.0334 3315.705 82.81804 10.95898       143.3724 
1 1 1 11  6  1  o 2058.889 42.62318 107.8863       4.436680  100.4884       6.222133  115.5381       6.328035  1986.792 61.85904 2130.987 58.65493 -144.1943      85.24635 
1 1 1 11  6  2  o 1356.698 37.83918 46.78455       2.594778  43.27413       3.631714  50.44525       3.708635  1304.556 54.98767 1408.840 51.99587 -104.2839      75.67836 
1 1 1 11  6  3  f 1676.536 48.77462 70.82652       3.889126  74.10725       6.853415  69.26822       4.723297  1702.863 79.49572 1650.208 56.53570 52.65430       97.54925 
1 1 1 11  6  4  o 372.7993 64.61614 3.923665       1.210698  2.588324       2.010915  4.682913       1.516314  323.3031 106.2272 422.2956 73.59873 -98.99243      129.2323 
1 1 1 11  6  5  o 486.5251 68.58358 6.318534       1.446169  6.369930       1.676303  6.168951       2.859773  494.8521 68.76929 478.1980 118.6828 16.65417       137.1672 
1 1 1 11  6  6  o 207.1272 79.35368 0.7521217      1.164447  0.7521217      1.164447  0.000000       0.000000  207.1272 79.35368 ?        ?        ?              ?        
1 1 1 11  6  7  o 722.4678 39.00457 13.39840       1.415868  13.42437       2.003699  13.37250       2.000984  723.1738 55.14320 721.7618 55.17838 1.411987       78.00913 
1 1 1 11  6  8  o 610.1315 65.54089 11.01373       1.646340  7.615149       3.086472  12.36523       1.946352  527.0209 118.5494 693.2421 55.93268 -166.2213      131.0818 
1 1 1 11  6  9  o 649.8413 48.34717 11.11364       1.539616  9.144693       2.201814  12.99744       2.153675  590.3998 75.38396 709.2827 60.55621 -118.8829      96.69434 
1 1 1 11  6  10 o 310.1815 68.08492 2.534487       1.181628  2.349370       1.641490  2.733577       1.702319  300.3228 95.76074 320.0403 96.80962 -19.71750      136.1698 
1 1 1 11  6  11 o 328.8531 60.70332 2.896963       1.109872  1.265611       1.559368  4.571831       1.580029  246.3561 92.41160 411.3502 78.73798 -164.9941      121.4066 
1 1 1 11  6  12 o 544.0017 64.14078 8.546461       1.604019  6.626793       2.597691  9.729438       2.039212  481.9344 109.0175 606.0689 67.61178 -124.1345      128.2816 
1 1 1 11  6  13 o 225.1696 58.63231 0.1471322      1.082830  -1.897626      1.468524  2.583532       1.603003  145.5630 69.73000 304.7762 94.28000 -159.2132      117.2646 
1 1 1 11  6  14 o 516.8215 64.55745 6.902364       1.562595  5.155848       1.907658  10.46363       2.724060  424.3494 91.48930 609.2936 91.10635 -184.9442      129.1149 
1 1 1 11  6  15 o 188.7192 61.95279 -1.200890      1.402946  -1.783218      2.239917  -0.8249688     1.799683  191.3082 90.01453 186.1302 85.14678 5.177994       123.9056 
1 1 1 11  6  16 o 354.5950 61.51017 3.246095       1.322196  0.3428931      1.745780  7.151610       2.024837  210.7516 90.64484 498.4384 83.17161 -287.6868      123.0203 
1 1 1 11  6  17 o 289.6724 68.24883 2.506618       1.219384  3.596144       1.777327  1.537707       1.676063  335.6286 98.29379 243.7162 94.70978 91.91241       136.4977 
1 1 1 11  6  18 o 326.6638 77.79864 3.535928       1.457226  4.548151       2.526139  3.031106       1.783971  350.8803 119.1353 302.4474 100.0864 48.43289       155.5973 
1 1 1 11  6  19 o 202.9651 87.58224 0.5931197      1.640563  0.5931197      1.640563  0.000000       0.000000  202.9651 87.58224 ?        ?        ?              ?        
1 1 1 11  7  0  o 3224.663 56.20754 265.8128       9.169953  254.1536       12.94996  277.5382       12.98667  3153.087 81.12389 3296.240 77.82072 -143.1528      112.4151 
1 1 1 11  7  1  o 2412.438 45.84960 148.2563       5.599795  147.4787       7.905316  149.0394       7.933372  2406.076 64.89725 2418.800 64.78496 -12.72437      91.69920 
1 1 1 11  7  2  o 656.8007 40.54817 11.09209       1.325428  9.636137       1.864859  12.57834       1.884165  612.2491 60.97480 701.3522 53.46672 -89.10303      81.09634 
1 1 1 11  7  3  o 1723.982 40.05072 75.59792       3.494637  73.10822       4.894247  78.18757       4.991513  1694.973 57.03475 1752.992 56.24302 -58.01929      80.10143 
1 1 1 11  7  4  o 1388.508 46.80207 49.68559       3.069354  48.03768       5.341998  50.49773       3.750179  1368.105 77.44379 1408.912 52.57562 -40.80750      93.60415 
1 1 1 11  7  5  f 1504.747 55.59136 58.13265       4.213685  59.73136       6.164539  56.73066       5.772830  1523.712 80.19463 1485.782 77.00920 37.93054       111.1827 
1 1 1 11  7  6  o 1871.323 51.21540 89.07117       4.615619  87.41389       5.684721  92.27735       7.906854  1849.654 60.70648 1892.993 82.50327 -43.33875      102.4308 
1 1 1 11  7  7  o 1621.692 58.28629 68.04411       4.767025  66.53745       6.609601  69.67743       6.881820  1603.271 81.70094 1640.112 83.15119 -36.84106      116.5726 
1 1 1 11  7  8  o 2414.547 48.22015 149.9506       5.894393  148.6791       8.325568  151.2285       8.346333  2404.168 68.40147 2424.926 67.98507 -20.75830      96.44030 
1 1 1 11  7  9  o 1495.692 40.16132 57.38760       3.038136  60.44968       4.305516  54.35083       4.287685  1535.923 55.36969 1455.461 58.18869 80.46191       80.32264 
1 1 1 11  7  10 o 1195.678 39.90615 36.75790       2.415569  36.90118       3.404699  36.61267       3.427677  1198.125 56.12975 1193.232 56.74025 4.892212       79.81231 
1 1 1 11  7  11 o 973.3177 39.08287 24.51476       1.911977  22.07536       2.663759  27.10712       2.746005  922.4306 57.32336 1024.205 53.14051 -101.7742      78.16573 
1 1 1 11  7  12 o 816.3989 43.27184 17.44190       1.772834  16.30020       2.440066  18.71843       2.580124  787.8138 61.67008 844.9841 60.71746 -57.17023      86.54369 
1 1 1 11  7  13 o 257.4959 73.26565 1.133035       1.469630  1.588641       2.134896  0.7226779      2.026110  273.4709 106.7188 241.5209 100.4118 31.94992       146.5313 
1 1 1 11  7  14 o 325.8094 77.90891 2.217042       1.981842  5.763769       2.618894  -2.535906      3.031695  433.5948 116.7190 218.0241 103.2272 215.5706       155.8178 
1 1 1 11  7  15 o 436.3049 62.16198 5.579413       1.321938  6.531280       1.828074  4.536092       1.913880  482.6029 77.43915 390.0070 97.26061 92.59586       124.3240 
1 1 1 11  7  16 o 373.2923 70.40487 4.321357       1.382396  3.312570       1.942728  5.356049       1.967514  326.1750 104.1960 420.4095 94.71314 -94.23453      140.8097 
1 1 1 11  7  17 o 208.6081 62.58698 0.5235935      1.154838  1.214990       1.732778  -0.2892484E-01 1.549005  231.7028 94.21940 185.5135 82.40887 46.18927       125.1740 
1 1 1 11  7  18 o 382.1609 64.51989 4.834399       1.260524  5.944450       1.702040  3.485964       1.875916  444.4942 78.50524 319.8275 102.4119 124.6667       129.0398 
1 1 1 11  7  19 o 197.7363 63.20346 -0.3884564     1.246256  -1.252538      1.494142  1.587167       2.259262  150.2489 71.52266 245.2236 104.2268 -94.97472      126.4069 
1 1 1 11  8  0  o 876.2615 35.94848 19.56592       1.585989  20.91666       2.274789  18.28830       2.212368  905.8964 49.79077 846.6266 51.86573 59.26984       71.89697 
1 1 1 11  8  1  o 3403.126 58.36887 296.3702       10.05614  293.7253       14.21519  299.0199       14.22788  3387.778 82.88081 3418.475 82.20993 -30.69751      116.7377 
1 1 1 11  8  2  o 1684.684 39.70729 72.24828       3.382743  76.68078       4.806295  67.89736       4.761856  1736.134 54.68191 1633.234 57.58962 102.8995       79.41458 
1 1 1 11  8  3  o 779.3787 39.55923 15.45427       1.546079  16.92489       2.287749  14.21798       2.097579  813.4948 55.88720 745.2626 56.00314 68.23224       79.11846 
1 1 1 11  8  4  o 1268.525 45.57724 41.02199       2.770970  40.73877       3.415047  41.56780       4.740825  1264.877 53.32915 1272.173 73.92661 -7.296143      91.15449 
1 1 1 11  8  5  o 1585.474 80.95958 64.80814       6.476806  64.80814       6.476806  0.000000       0.000000  1585.474 80.95958 ?        ?        ?              ?        
1 1 1 11  8  6  o 1360.970 55.93782 47.30742       3.854232  0.000000       0.000000  47.30742       3.854232  ?        ?        1360.970 55.93782 ?              ?        
1 1 1 11  8  7  o 842.6250 60.75119 18.69204       2.524883  19.40105       3.373779  17.78937       3.806745  863.4785 78.01854 821.7715 93.14471 41.70703       121.5024 
1 1 1 11  8  8  o 1542.342 50.43534 61.92340       3.664308  62.81916       4.466525  60.07944       6.408379  1566.031 56.33596 1518.654 83.67289 47.37769       100.8707 
1 1 1 11  8  9  f 1385.194 39.91333 49.25104       2.798899  49.99455       3.974939  48.51989       3.941753  1395.626 56.25714 1374.761 56.63416 20.86462       79.82665 
1 1 1 11  8  10 o 557.9672 51.17855 8.248802       1.407432  7.899745       2.033995  8.569465       1.949512  545.3517 75.71239 570.5826 68.88113 -25.23096      102.3571 
1 1 1 11  8  11 o 540.5393 50.31651 7.732246       1.325705  6.290439       1.802909  9.429492       1.956107  483.2959 76.20977 597.7828 65.71967 -114.4869      100.6330 
1 1 1 11  8  12 o 251.4568 67.32094 1.380092       1.172562  1.413534       1.576742  1.338714       1.753872  249.8367 93.08025 253.0770 97.28568 -3.240280      134.6419 
1 1 1 11  8  13 o 420.9645 76.90552 5.357400       1.737709  3.245093       2.519515  7.273802       2.399836  338.5287 118.8065 503.4003 97.68749 -164.8715      153.8110 
1 1 1 11  8  14 o 272.1011 78.15057 1.361895       1.757894  2.394602       2.176914  -0.5736526     2.980264  298.3419 109.7027 245.8602 111.3345 52.48175       156.3011 
1 1 1 11  8  15 o 280.9207 69.68087 2.221605       1.243316  2.642070       1.670887  1.699971       1.861080  299.8463 96.72079 261.9952 100.3334 37.85104       139.3617 
1 1 1 11  8  16 f 401.5201 63.73497 4.732736       1.303480  7.332696       1.991961  2.785719       1.723782  502.1481 81.12020 300.8921 98.32649 201.2560       127.4699 
1 1 1 11  8  17 o 182.6290 57.13571 -0.7872703E-01 1.061364  0.5895529      1.518701  -0.7167261     1.483895  201.6081 85.56280 163.6499 75.74275 37.95825       114.2714 
1 1 1 11  8  18 o 252.6346 66.93436 1.953389       1.156502  2.001868       1.614727  1.902328       1.657181  254.5439 94.32089 250.7253 94.99686 3.818695       133.8687 
1 1 1 11  8  19 o 220.2102 72.23434 -0.7041441E-01 1.915028  -0.9959307     2.570313  1.084391       2.871100  199.1791 94.52081 241.2413 109.2566 -42.06226      144.4687 
1 1 1 11  9  0  o 1950.711 41.73439 96.92987       4.117252  102.6996       5.852525  91.27638       5.793274  2008.485 57.55606 1892.937 60.45112 115.5485       83.46879 
1 1 1 11  9  1  o 937.2799 40.02232 22.44597       1.890181  22.63635       2.672273  22.25535       2.673966  941.3124 56.33302 933.2474 56.86595 8.064941       80.04465 
1 1 1 11  9  2  o 1694.429 40.26413 73.11842       3.452093  76.50173       4.917905  69.83214       4.846864  1733.227 56.04554 1655.631 57.82471 77.59546       80.52826 
1 1 1 11  9  3  o 2225.697 54.94397 125.9123       5.860065  123.6418       7.179427  130.4444       10.14331  2200.321 64.44956 2251.072 89.00344 -50.75049      109.8879 
1 1 1 11  9  4  o 1685.752 56.54394 73.06696       4.822307  76.59531       6.849341  69.59888       6.790583  1726.628 78.35493 1644.876 81.54369 81.75232       113.0879 
1 1 1 11  9  5  o 484.8528 51.64111 6.149681       1.208969  4.791068       1.652008  7.716325       1.773983  424.6638 79.76832 545.0417 65.60665 -120.3780      103.2822 
1 1 1 11  9  6  o 828.9005 56.72490 17.65275       2.366145  0.000000       0.000000  17.65275       2.366145  ?        ?        828.9005 56.72490 ?              ?        
1 1 1 11  9  7  o 774.5392 49.14689 15.84096       1.796195  14.69699       3.029242  16.46126       2.230639  748.9765 81.18797 800.1020 55.40921 -51.12549      98.29378 
1 1 1 11  9  8  o 2225.404 56.85797 127.0397       6.018506  123.8609       7.311939  133.7179       10.59807  2192.367 65.87727 2258.441 92.69035 -66.07373      113.7159 
1 1 1 11  9  9  o 1838.478 42.52773 87.10275       3.958286  86.55309       5.598361  87.65221       5.597363  1832.570 60.34157 1844.385 59.94435 -11.81470      85.05546 
1 1 1 11  9  10 o 719.8691 44.30730 13.53252       1.591300  11.98219       2.214142  15.18885       2.288579  675.9080 65.52754 763.8304 59.65474 -87.92242      88.61459 
1 1 1 11  9  11 o 620.4294 43.61607 10.09579       1.348755  9.305655       1.845090  11.00253       1.976544  594.0068 62.28044 646.8520 61.07859 -52.84515      87.23214 
1 1 1 11  9  12 o 533.0822 64.42558 8.252420       1.567998  8.941024       1.948457  6.986965       2.641373  577.5076 67.94134 488.6568 109.4833 88.85080       128.8512 
1 1 1 11  9  13 o 986.1014 40.13508 25.66024       1.994894  25.17126       2.821269  26.14918       2.821142  976.2733 57.33231 995.9296 56.18099 -19.65637      80.27016 
1 1 1 11  9  14 o 690.6886 45.07037 12.95719       1.543661  13.95736       2.114711  11.81637       2.258510  723.0671 58.26253 658.3100 68.78104 64.75714       90.14074 
1 1 1 11  9  15 o 513.2931 63.48568 7.735537       1.560705  5.415390       2.140999  10.36646       2.279883  419.4051 101.8485 607.1812 75.81953 -187.7761      126.9714 
1 1 1 11  9  16 o 597.3875 66.56468 11.01451       1.780732  10.43929       3.133987  11.28877       2.163996  561.8394 114.0747 632.9355 68.63223 -71.09619      133.1294 
1 1 1 11  9  17 o 264.3186 65.10829 2.061688       1.184253  0.6097485      1.730809  3.339761       1.623875  208.9490 90.06212 319.6881 94.04878 -110.7391      130.2166 
1 1 1 11  9  18 o 242.7431 66.38670 1.707665       1.210042  2.389033       1.606870  0.8151684      1.839049  269.8519 94.86964 215.6342 92.88986 54.21768       132.7734 
1 1 1 11  9  19 o 187.9689 63.28517 -1.041523      1.642849  -1.344416      2.546565  -0.8255998     2.150106  190.8427 91.52710 185.0952 87.42334 5.747406       126.5703 
1 1 1 11  10 0  o 999.5627 36.75076 25.43379       1.853752  27.25533       2.669956  23.73849       2.575783  1034.916 50.95835 964.2094 52.96903 70.70667       73.50151 
1 1 1 11  10 1  o 1259.567 38.34236 40.40054       2.444626  39.79044       3.419491  41.03833       3.496231  1249.870 54.03971 1269.264 54.40823 -19.39380      76.68472 
1 1 1 11  10 2  o 2688.197 71.08031 187.0448       9.654119  203.7330       13.86248  171.3287       13.45271  2806.310 97.57122 2570.085 103.3900 236.2249       142.1606 
1 1 1 11  10 3  f 1047.493 47.13710 28.61107       2.315224  29.45047       2.828402  26.90649       4.030560  1074.920 51.97344 1020.066 78.65359 54.85382       94.27421 
1 1 1 11  10 4  o 493.0129 53.68164 6.354013       1.290541  6.764997       1.944068  6.030209       1.725602  506.9174 78.27225 479.1083 73.48695 27.80914       107.3633 
1 1 1 11  10 5  o 1185.086 48.88642 37.89630       2.704896  31.11991       4.548815  41.60308       3.364324  1093.775 82.75854 1276.396 52.06295 -182.6206      97.77283 
1 1 1 11  10 6  o 1021.652 39.38646 26.80432       2.026985  26.59946       2.932895  26.99165       2.804588  1017.524 57.16513 1025.779 54.19705 -8.255371      78.77292 
1 1 1 11  10 7  o 560.0206 54.52695 7.982302       1.468130  9.588753       2.423437  7.050918       1.845280  602.4059 81.55887 517.6354 72.39410 84.77057       109.0539 
1 1 1 11  10 8  o 869.5699 40.12258 19.55256       1.752116  20.39037       2.430437  18.64601       2.528186  889.7986 54.21071 849.3412 59.16489 40.45740       80.24516 
1 1 1 11  10 9  f 1131.842 52.58701 35.05061       2.727341  37.75174       3.329843  29.54511       4.753887  1210.964 54.31361 1052.720 90.06446 158.2441       105.1740 
1 1 1 11  10 10 o 809.8866 49.06606 17.51354       1.913582  18.15270       2.428362  16.46640       3.108191  834.7162 57.81948 785.0569 79.28947 49.65930       98.13212 
1 1 1 11  10 11 o 580.3137 47.61782 8.946454       1.369039  8.486395       1.851939  9.500825       2.032918  564.2958 66.07503 596.3316 68.58511 -32.03577      95.23563 
1 1 1 11  10 12 o 454.6257 63.44682 6.094089       1.343374  6.687357       1.674731  5.023521       2.249712  497.1636 68.34432 412.0879 106.9161 85.07571       126.8936 
1 1 1 11  10 13 o 747.1326 56.21802 15.50980       1.977625  15.18511       3.339720  15.68512       2.454160  730.0603 92.42854 764.2049 64.02209 -34.14459      112.4360 
1 1 1 11  10 14 o 232.4132 66.96333 0.7045252      1.288447  1.887590       1.896924  -0.3087743     1.755556  270.1908 101.8121 194.6356 87.00948 75.55519       133.9267 
1 1 1 11  10 15 o 326.5001 63.35962 3.484378       1.490169  5.854012       1.781867  -2.028792      2.717911  448.5735 81.46217 204.4266 97.06535 244.1469       126.7192 
1 1 1 11  10 16 o 171.0805 55.47713 -0.5859091     1.098604  -1.305886      1.720310  -0.9007785E-01 1.427626  165.2010 78.07935 176.9600 78.83189 -11.75897      110.9543 
1 1 1 11  10 17 o 346.7436 60.99336 3.955797       1.263728  1.146819       1.821000  6.565385       1.755181  226.2303 94.71925 467.2568 76.87019 -241.0265      121.9867 
1 1 1 11  10 18 o 347.1389 80.35474 4.216971       1.483315  3.645113       1.722382  5.858743       2.918380  324.3857 97.21143 369.8920 127.9745 -45.50632      160.7095 
1 1 1 11  10 19 o 204.8277 65.76322 0.4658580      1.487557  0.1284554      2.177742  0.7609929      2.036773  199.9252 92.25936 209.7302 93.74121 -9.805054      131.5264 
1 1 1 11  11 0  o 1589.562 47.12517 63.57343       3.614334  61.18246       4.441841  68.25865       6.217864  1548.489 56.65929 1630.636 75.31832 -82.14648      94.25034 
1 1 1 11  11 1  o 523.1533 53.83377 7.045516       1.323668  6.755003       1.634279  7.599526       2.256844  509.8492 64.77620 536.4573 86.00199 -26.60812      107.6675 
1 1 1 11  11 2  o 605.3221 51.27035 9.610276       1.516401  10.03377       2.014137  9.056113       2.304003  622.6994 64.84009 587.9448 79.43777 34.75464       102.5407 
1 1 1 11  11 3  o 1797.739 41.32230 82.66350       3.760819  83.07343       5.307844  82.25023       5.329424  1802.299 58.17115 1793.178 58.70474 9.120605       82.64460 
1 1 1 11  11 4  o 631.0723 54.14053 9.933775       1.580030  11.77619       2.889809  9.148126       1.887076  668.2954 87.51457 593.8491 63.76511 74.44629       108.2811 
1 1 1 11  11 5  o 573.8761 54.53299 8.569747       1.488551  9.002565       2.474721  8.324373       1.863318  582.5616 86.53706 565.1906 66.38317 17.37103       109.0660 
1 1 1 11  11 6  o 303.8587 63.67922 2.213833       1.076472  3.644022       1.712199  1.279006       1.384277  366.1708 92.36906 241.5465 87.68197 124.6243       127.3584 
1 1 1 11  11 7  o 1018.377 38.41695 26.70215       1.970420  24.53548       2.792941  28.84924       2.780292  975.7178 56.78531 1061.037 51.75785 -85.31885      76.83389 
1 1 1 11  11 8  o 413.6659 68.59193 4.856976       1.322549  4.197529       2.454713  5.126698       1.569890  389.0894 115.9278 438.2423 73.34953 -49.15292      137.1839 
1 1 1 11  11 9  o 727.0560 72.76841 14.69063       2.571492  16.25369       3.540559  12.94560       3.740991  774.6641 92.08011 679.4479 112.7041 95.21619       145.5368 
1 1 1 11  11 10 o 717.9845 43.69844 13.61080       1.563165  12.03216       2.210943  15.18859       2.210355  674.2240 65.60323 761.7449 57.74453 -87.52094      87.39688 
1 1 1 11  11 11 o 553.2415 57.28539 8.355183       1.466545  8.234385       1.797521  8.595671       2.536247  554.7128 65.25366 551.7701 94.17231 2.942688       114.5708 
1 1 1 11  11 12 o 730.3055 42.82762 14.20125       1.562637  14.14922       2.116503  14.26360       2.316869  730.4863 57.69967 730.1247 63.30537 0.3615723      85.65524 
1 1 1 11  11 13 o 760.2712 57.23720 16.55573       2.039369  14.61307       3.342729  17.70752       2.573884  709.7744 95.44360 810.7681 63.20528 -100.9937      114.4744 
1 1 1 11  11 14 o 248.0427 67.89346 1.456980       1.246380  0.5933026      1.992534  2.012148       1.597505  228.2124 97.45923 267.8729 94.55046 -39.66046      135.7869 
1 1 1 11  11 15 o 243.6467 74.77479 0.8478437      1.506501  0.7141828      1.728660  1.269913       3.071846  217.2443 91.69070 270.0491 118.1435 -52.80476      149.5496 
1 1 1 11  11 16 o 212.8536 62.23480 0.9257547      1.100921  0.4559093      1.720053  1.251805       1.432870  204.0606 88.86261 221.6465 87.15571 -17.58591      124.4696 
1 1 1 11  11 17 o 271.0170 67.49178 2.386167       1.192519  3.231976       1.690576  1.548513       1.682406  307.2292 97.09934 234.8047 93.76715 72.42450       134.9836 
1 1 1 11  11 18 o 386.1051 90.40010 6.586866       2.129317  4.990381       2.969779  8.275884       3.054631  332.0014 126.8384 440.2088 128.8438 -108.2074      180.8002 
1 1 1 11  12 0  o 628.1567 47.42842 9.622557       1.434582  7.266770       1.800755  13.71498       2.373433  527.6904 69.06238 728.6230 65.02469 -200.9326      94.85685 
1 1 1 11  12 1  o 672.6618 47.54311 11.78557       1.562231  12.03110       2.027293  11.42660       2.451253  683.1607 59.20042 662.1629 74.40900 20.99780       95.08622 
1 1 1 11  12 2  o 628.1353 44.43657 10.16495       1.383707  10.62197       2.106611  9.818149       1.835082  639.8942 65.97304 616.3762 59.54823 23.51801       88.87313 
1 1 1 11  12 3  o 711.3771 61.42844 13.07568       2.190645  0.000000       0.000000  13.07568       2.190645  ?        ?        711.3771 61.42844 ?              ?        
1 1 1 11  12 4  o 1563.697 49.34726 63.78093       3.666132  61.16628       6.290617  65.12576       4.511496  1533.000 81.34379 1594.394 55.89093 -61.39368      98.69452 
1 1 1 11  12 5  o 1435.058 39.77031 52.80642       2.887588  55.43649       4.119244  50.26528       4.048995  1470.484 55.33165 1399.633 57.14122 70.85083       79.54062 
1 1 1 11  12 6  o 728.1959 43.19806 13.83370       1.557611  13.12108       2.358374  14.38506       2.074431  709.8027 66.39977 746.5891 55.27529 -36.78632      86.39611 
1 1 1 11  12 7  o 1033.632 38.96817 27.54873       2.030375  26.17481       2.840518  28.98403       2.903279  1006.929 55.94095 1060.336 54.26493 -53.40692      77.93634 
1 1 1 11  12 8  o 353.7352 69.45661 3.758533       1.319899  1.824973       2.439773  4.558589       1.569389  297.4381 114.6340 410.0322 78.45966 -112.5941      138.9132 
1 1 1 11  12 9  o 468.3344 57.38797 6.108941       1.288513  4.631553       1.854117  7.488903       1.791939  406.6487 92.18707 530.0201 68.37442 -123.3714      114.7759 
1 1 1 11  12 10 o 520.2565 74.11142 9.775489       1.791468  12.40167       2.127569  3.376747       3.320996  684.3339 62.08476 356.1791 134.5938 328.1548       148.2228 
1 1 1 11  12 11 f 261.1268 57.21495 0.2515151      1.141041  -2.451414      1.472062  4.319936       1.806016  135.7852 66.17729 386.4683 93.35293 -250.6831      114.4299 
1 1 1 11  12 12 o 606.9830 57.62313 10.04733       1.699219  12.66786       2.648081  8.213057       2.215488  674.9822 78.98528 538.9839 83.92274 135.9982       115.2463 
1 1 1 11  12 13 o 514.4330 53.16489 7.353366       1.336937  6.559271       1.794576  8.343781       2.004169  482.5688 75.96597 546.2972 74.39890 -63.72849      106.3298 
1 1 1 11  12 14 o 372.7596 59.37740 4.242032       1.172566  6.535110       1.658847  1.952206       1.657670  481.9749 70.03207 263.5444 95.90730 218.4305       118.7548 
1 1 1 11  12 15 o 278.7547 63.67821 2.469919       1.118286  1.092105       1.793516  3.346279       1.430380  228.3951 94.67346 329.1143 85.18563 -100.7192      127.3564 
1 1 1 11  12 16 o 292.4300 63.99475 3.179281       1.377138  -2.151565      3.048857  4.545677       1.543574  202.9910 98.04564 381.8689 82.27006 -178.8779      127.9895 
1 1 1 11  12 17 f 331.5782 86.56295 3.763243       1.646346  2.903075       1.856601  6.928759       3.561634  286.0367 101.8258 377.1196 140.0146 -91.08286      173.1259 
1 1 1 11  12 18 o 332.8679 82.80635 4.585000       1.593210  4.366811       1.761331  5.567023       3.736686  347.8075 96.58776 317.9283 134.5302 29.87918       165.6127 
1 1 1 11  13 0  o 553.8636 43.65930 8.042102       1.187546  9.144540       1.653946  6.868962       1.706158  595.2084 55.52806 512.5189 67.38822 82.68951       87.31860 
1 1 1 11  13 1  o 1264.922 54.85579 40.96017       3.512933  0.000000       0.000000  40.96017       3.512933  ?        ?        1264.922 54.85579 ?              ?        
1 1 1 11  13 2  o 1471.490 47.75676 56.83934       3.363032  52.63040       5.628728  59.17596       4.193900  1422.846 78.44221 1520.133 54.49451 -97.28674      95.51352 
1 1 1 11  13 3  o 328.0745 56.56187 2.903589       1.258638  -1.580082      2.031514  5.696837       1.603458  191.3761 88.59238 464.7728 70.34464 -273.3966      113.1237 
1 1 1 11  13 4  o 777.9238 42.15573 15.61688       1.609121  20.19423       2.365067  11.67183       2.195647  886.1733 52.95820 669.6744 65.60374 216.4990       84.31145 
1 1 1 11  13 5  o 704.9420 41.28474 12.89132       1.456601  13.80462       2.054490  11.96827       2.065444  730.8954 55.94685 678.9886 60.72618 51.90680       82.56949 
1 1 1 11  13 6  o 445.6705 57.88363 5.604830       1.230613  3.146007       1.755790  7.979023       1.725309  339.2166 97.22588 552.1244 62.84256 -212.9078      115.7673 
1 1 1 11  13 7  o 1203.839 38.29653 37.42876       2.329056  40.31868       3.300838  34.56341       3.286772  1251.006 52.11723 1156.673 56.12746 94.33264       76.59306 
1 1 1 11  13 8  o 782.6869 41.37370 16.02104       1.625397  16.21202       2.251093  15.81302       2.349373  788.3009 56.78536 777.0729 60.18766 11.22797       82.74740 
1 1 1 11  13 9  o 686.2101 54.74381 12.74246       1.728381  12.71405       3.056040  12.75582       2.095756  677.0219 91.50506 695.3984 60.11959 -18.37646      109.4876 
1 1 1 11  13 10 o 482.3554 82.59695 6.491998       1.944499  6.491998       1.944499  0.000000       0.000000  482.3554 82.59695 ?        ?        ?              ?        
1 1 1 11  13 11 o 497.6592 55.61386 7.251729       1.283280  9.271929       1.739730  4.840689       1.900584  588.7606 59.16675 406.5578 94.18546 182.2028       111.2277 
1 1 1 11  13 12 o 728.9705 54.08379 15.06230       1.883631  13.60067       3.002739  16.01066       2.418713  688.2813 88.20146 769.6595 62.61571 -81.37823      108.1676 
1 1 1 11  13 13 o 388.9586 70.47565 5.169375       1.552683  2.102011       2.547416  6.982508       1.958538  286.1397 114.9860 491.7775 81.51992 -205.6378      140.9513 
1 1 1 11  13 14 o 196.5599 62.34350 -0.1959172     1.064080  0.9282215      2.265358  -0.5141562     1.205324  240.4199 103.3266 152.7000 69.78876 87.71992       124.6870 
1 1 1 11  13 15 o 161.5248 56.41980 -4.183612      1.741130  -2.050453      2.111215  -8.719454      3.078576  170.4674 82.15166 152.5822 77.35553 17.88513       112.8396 
1 1 1 11  13 16 o 352.0330 83.80289 3.026457       1.506557  1.541766       1.662957  9.824398       3.558376  232.5967 93.10359 471.4693 139.3679 -238.8726      167.6058 
1 1 1 11  13 17 o 341.3900 76.80869 4.817827       1.563044  5.246972       1.813375  3.577383       3.083002  392.5243 92.72665 290.2556 122.4748 102.2687       153.6174 
1 1 1 11  13 18 o 216.2768 68.24885 1.129601       1.522532  0.9335124      2.210680  1.306539       2.099954  212.9124 96.19881 219.6411 96.83704 -6.728775      136.4977 
1 1 1 11  14 0  o 1061.640 43.59879 29.30849       2.271442  27.85460       3.606348  30.26452       2.924402  1036.355 69.13132 1086.925 53.14393 -50.57056      87.19757 
1 1 1 11  14 1  o 749.2986 45.41695 14.72003       1.668756  13.73396       2.587725  15.42204       2.183411  725.3076 71.39677 773.2897 56.15424 -47.98206      90.83390 
1 1 1 11  14 2  o 591.8949 50.82654 9.158162       1.467540  9.423794       2.299784  8.975698       1.906053  597.3793 77.89563 586.4106 65.31172 10.96869       101.6531 
1 1 1 11  14 3  o 1098.677 39.32836 31.10034       2.179556  32.53154       3.049661  29.60607       3.116129  1125.908 53.50135 1071.447 57.65834 54.46179       78.65672 
1 1 1 11  14 4  o 652.1917 42.34318 11.05197       1.365366  9.041034       1.885478  13.26916       1.979812  588.0214 64.38751 716.3620 55.00934 -128.3406      84.68636 
1 1 1 11  14 5  o 1364.573 39.31185 47.99922       2.715107  48.87367       3.821583  47.10795       3.858161  1377.470 54.79961 1351.676 56.37986 25.79370       78.62370 
1 1 1 11  14 6  o 1005.126 39.90173 26.24821       2.013211  23.10696       2.841126  29.41605       2.853133  942.2859 59.86648 1067.965 52.76929 -125.6794      79.80347 
1 1 1 11  14 7  o 866.2698 40.38092 19.57461       1.760998  19.41722       2.479157  19.73490       2.501852  862.7517 57.08153 869.7878 57.13296 -7.036072      80.76185 
1 1 1 11  14 8  o 1025.186 39.18208 27.48533       2.025060  26.85931       2.884522  28.09373       2.843651  1013.017 56.46824 1037.354 54.33488 -24.33746      78.36416 
1 1 1 11  14 9  o 303.2161 73.15767 2.005587       1.228909  4.070681       2.437122  1.301478       1.423074  369.1547 116.5743 237.2776 88.42288 131.8770       146.3153 
1 1 1 11  14 10 o 369.4891 62.84264 3.797978       1.220365  2.055716       1.621369  6.074967       1.853556  274.7750 95.36964 464.2032 81.86221 -189.4282      125.6853 
1 1 1 11  14 11 o 432.1366 80.48557 5.323792       1.696059  0.000000       0.000000  5.323792       1.696059  ?        ?        432.1366 80.48557 ?              ?        
1 1 1 11  14 12 o 248.0238 73.62009 0.3909736      1.304398  -0.2867942     1.463420  3.011003       2.877277  177.4502 79.37572 318.5974 124.0128 -141.1473      147.2402 
1 1 1 11  14 13 o 349.0534 84.02449 3.464270       1.515049  2.830427       1.700884  5.898715       3.333373  301.7042 97.61287 396.4027 136.7925 -94.69849      168.0490 
1 1 1 11  14 14 o 395.0330 60.70963 4.806515       1.177736  5.241722       1.733747  4.433614       1.604852  412.0269 85.89799 378.0391 85.81476 33.98782       121.4193 
1 1 1 11  14 15 o 469.8203 68.64378 8.604579       1.619658  4.033378       2.681573  11.22997       2.032224  317.1147 120.6759 622.5259 65.46146 -305.4111      137.2876 
1 1 1 11  14 16 o 284.9100 77.43025 2.926880       1.456933  2.730592       1.685855  3.506003       2.895731  278.1445 97.20754 291.6755 120.5507 -13.53104      154.8605 
1 1 1 11  14 17 o 249.5258 73.70300 0.9886176      1.462111  -0.5563159     1.710037  5.188092       2.819344  170.0010 79.55935 329.0506 124.0920 -159.0497      147.4060 
1 1 1 11  15 0  o 846.6880 43.57141 18.52436       1.843922  19.12042       2.779852  18.05606       2.464021  857.9306 64.47231 835.4454 58.62758 22.48523       87.14282 
1 1 1 11  15 1  o 688.1113 46.18107 12.56040       1.548097  11.20942       2.384923  13.54414       2.035128  652.6483 73.45589 723.5744 55.99105 -70.92609      92.36214 
1 1 1 11  15 2  o 974.2838 38.11501 24.47327       1.872146  24.29706       2.612325  24.65934       2.684372  970.8495 53.35327 977.7180 54.44671 -6.868530      76.23002 
1 1 1 11  15 3  o 1058.936 39.70770 28.94779       2.119248  27.32777       2.945795  30.68572       3.051117  1027.922 56.82615 1089.951 55.47607 -62.02881      79.41541 
1 1 1 11  15 4  o 527.0442 50.18539 7.480168       1.243210  4.989890       1.720711  10.19971       1.798176  428.3536 82.33653 625.7348 57.40199 -197.3812      100.3708 
1 1 1 11  15 5  o 261.5584 62.66870 1.712959       0.9837033 1.994393       1.488715  1.494846       1.310581  276.4709 91.42673 246.6460 85.73574 29.82489       125.3374 
1 1 1 11  15 6  o 219.1303 59.01329 0.8651417      0.9316848 1.511817       1.356057  0.2869516      1.282242  247.7734 87.14924 190.4871 79.59450 57.28635       118.0266 
1 1 1 11  15 7  o 431.5034 56.51040 5.268357       1.171032  7.509674       1.677465  3.137752       1.635511  530.6175 63.71781 332.3892 93.34741 198.2283       113.0208 
1 1 1 11  15 8  o 419.3315 70.65493 5.234829       1.370016  4.767017       2.620992  5.410698       1.607035  395.3681 120.2428 443.2950 74.23042 -47.92691      141.3099 
1 1 1 11  15 9  o 260.3020 72.21930 1.511253       1.379550  0.6947826      2.400388  1.913946       1.685770  251.1337 107.1018 269.4704 96.91091 -18.33665      144.4386 
1 1 1 11  15 10 o 384.5098 92.71636 4.473013       2.069031  3.476132       2.525498  6.507840       3.608187  336.8976 118.8854 432.1220 142.3080 -95.22437      185.4327 
1 1 1 11  15 11 o 485.4995 82.80560 7.469749       1.927120  7.117162       2.355847  8.182863       3.350371  483.6503 99.53158 487.3487 132.3652 -3.698425      165.6112 
1 1 1 11  15 12 o 268.2263 65.54131 2.053064       1.085178  1.598127       1.451951  2.628788       1.633365  243.2319 89.56936 293.2207 95.70782 -49.98875      131.0826 
1 1 1 11  15 13 o 453.8310 53.64891 6.033375       1.187711  6.464936       1.725972  5.645198       1.636919  470.1362 75.03779 437.5257 76.69520 32.61053       107.2978 
1 1 1 11  15 14 f 258.0775 63.11585 2.035617       1.018639  2.853818       1.540619  1.400092       1.357787  292.7229 92.71195 223.4322 85.66759 69.29065       126.2317 
1 1 1 11  15 15 o 236.2100 66.50495 1.657144       1.218156  1.023803       1.728930  2.281487       1.716603  213.8874 91.04863 258.5325 96.96278 -44.64516      133.0099 
1 1 1 11  15 16 o 218.1505 67.78898 0.9819915      1.300046  0.7551254      1.513092  1.621762       2.540929  196.6985 84.48823 239.6025 106.0336 -42.90393      135.5780 
1 1 1 11  15 17 o 206.7561 64.52267 0.8513466      1.386017  -0.4273119     2.052139  1.923885       1.879472  180.9647 85.45295 232.5475 96.69794 -51.58282      129.0453 
1 1 1 11  16 0  o 1088.097 65.56777 31.89796       3.555290  34.53597       4.938926  29.06081       5.121947  1139.348 86.26299 1036.846 98.76855 102.5017       131.1355 
1 1 1 11  16 1  o 942.5347 43.32245 22.69248       1.985639  21.55073       2.477477  24.74324       3.320321  912.7662 53.85106 972.3032 67.87785 -59.53699      86.64491 
1 1 1 11  16 2  o 715.8956 49.08526 14.05138       1.656876  15.78145       2.127809  11.38665       2.640754  780.0918 54.21373 651.6995 81.84328 128.3923       98.17052 
1 1 1 11  16 3  o 762.2769 47.58788 14.97524       1.765793  16.68336       2.919199  13.98962       2.217471  793.2092 73.52898 731.3445 60.43107 61.86469       95.17577 
1 1 1 11  16 4  o 484.5583 53.51169 6.369821       1.243342  8.155583       1.803431  4.752080       1.716493  554.4598 65.51179 414.6570 84.62984 139.8028       107.0234 
1 1 1 11  16 5  o 203.0229 65.72483 -0.5877650     1.050411  0.1411062      2.778278  -0.7093300     1.134631  259.0329 112.8653 147.0129 67.38268 112.0200       131.4497 
1 1 1 11  16 6  o 573.1935 65.45659 8.221981       1.623310  11.61169       3.346030  7.178576       1.856414  632.8094 108.3374 513.5776 73.49335 119.2318       130.9132 
1 1 1 11  16 7  o 912.6881 56.11126 23.94648       2.250085  25.62189       2.693488  20.07677       4.093493  987.0706 54.10548 838.3057 98.31831 148.7649       112.2225 
1 1 1 11  16 8  o 438.5124 76.60509 4.604490       1.356006  3.864794       1.483046  8.375543       3.348569  367.7615 81.77013 509.2632 129.5647 -141.5016      153.2102 
1 1 1 11  16 9  o 428.1401 61.80540 5.376642       1.283356  5.633059       1.705868  5.042259       1.948023  445.5246 78.49712 410.7557 95.48734 34.76892       123.6108 
1 1 1 11  16 10 f 280.4353 89.43900 2.310290       1.431855  0.000000       0.000000  2.310290       1.431855  ?        ?        280.4353 89.43900 ?              ?        
1 1 1 11  16 11 o 260.4308 75.26030 1.154369       1.267883  0.7050961      1.404680  3.129815       2.945471  204.6384 84.20497 316.2233 124.7637 -111.5849      150.5206 
1 1 1 11  16 12 o 859.6749 43.29769 20.41939       1.867186  18.57646       2.577316  22.45514       2.708786  816.9078 62.79854 902.4420 59.62469 -85.53424      86.59538 
1 1 1 11  16 13 o 583.3369 51.19138 10.09870       1.456867  8.755583       2.097984  11.34952       2.024616  536.9971 79.57829 629.6768 64.41680 -92.67969      102.3828 
1 1 1 11  16 14 o 298.3135 66.51031 3.144213       1.146729  2.566473       1.725149  3.601559       1.534911  270.5386 97.93335 326.0885 90.01968 -55.54984      133.0206 
1 1 1 11  16 15 o 233.9864 67.59337 1.719577       1.279329  2.014611       1.667480  1.297411       1.994651  244.0274 94.56796 223.9454 96.60412 20.08206       135.1867 
1 1 1 11  16 16 o 280.2849 82.71883 3.726783       1.964813  3.389375       3.410356  3.894422       2.403860  267.5865 120.3223 292.9834 113.5436 -25.39688      165.4377 
1 1 1 11  17 0  o 268.6858 59.28260 1.905251       0.8631675 1.863516       1.062195  1.986397       1.481107  262.1581 75.76268 275.2135 91.20155 -13.05539      118.5652 
1 1 1 11  17 1  o 268.4994 54.58112 1.612111       0.8366348 0.5870948      1.056878  3.332519       1.369226  189.5464 74.75054 347.4524 79.55344 -157.9060      109.1622 
1 1 1 11  17 2  o 312.8093 58.12907 2.773903       0.9574168 3.459903       1.288232  1.927458       1.430973  355.2861 74.02199 270.3325 89.64764 84.95361       116.2581 
1 1 1 11  17 3  o 355.2333 123.9580 3.537378       2.740875  3.537378       2.740875  0.000000       0.000000  355.2333 123.9580 ?        ?        ?              ?        
1 1 1 11  17 4  o 273.0930 93.12958 1.977921       1.543726  1.977921       1.543726  0.000000       0.000000  273.0930 93.12958 ?        ?        ?              ?        
1 1 1 11  17 5  o 324.1801 85.46648 2.525954       1.769590  1.868691       2.129411  3.993003       3.181354  280.7488 107.3688 367.6114 133.0039 -86.86261      170.9330 
1 1 1 11  17 6  o 395.5724 64.31319 4.475372       1.236158  4.839497       1.992288  4.247439       1.576271  404.9638 98.19009 386.1811 83.08703 18.78275       128.6264 
1 1 1 11  17 7  o 404.2817 58.78083 4.757984       1.156658  4.071539       1.722354  5.321867       1.561041  371.6568 92.02353 436.9067 73.16020 -65.24991      117.5617 
1 1 1 11  17 8  o 416.3543 58.67532 4.901613       1.176649  4.366551       1.516459  5.711096       1.865230  389.8033 79.53585 442.9054 86.28569 -53.10214      117.3506 
1 1 1 11  17 9  o 233.0193 60.72548 1.255972       0.9767190 2.126556       1.452839  0.5380029      1.319366  270.4061 90.35555 195.6325 81.15546 74.77357       121.4510 
1 1 1 11  17 10 o 396.5876 63.96204 4.372017       1.243278  7.033569       2.102096  2.940074       1.541871  484.0162 89.06644 309.1591 91.82450 174.8571       127.9241 
1 1 1 11  17 11 o 534.6149 74.35587 10.60585       1.814161  6.018931       3.173427  12.83263       2.211092  393.5705 133.5296 675.6592 65.46004 -282.0887      148.7117 
1 1 1 11  17 12 o 246.5339 77.42042 0.4890965      1.238766  0.1013211E-01  1.314551  4.287413       3.701873  171.4121 76.04147 321.6557 134.8828 -150.2435      154.8408 
1 1 1 11  17 13 o 404.7947 59.58098 5.282368       1.181352  5.109596       1.671085  5.454974       1.670285  396.3505 85.76945 413.2389 82.72346 -16.88846      119.1620 
1 1 1 11  17 14 o 401.7049 65.18468 5.565360       1.332888  3.779094       1.805328  7.705802       1.976218  316.7898 100.3641 486.6199 83.20585 -169.8301      130.3694 
1 1 1 11  17 15 o 244.4207 69.19473 2.174500       1.290297  2.371925       1.537085  1.703442       2.374287  255.1799 92.43094 233.6616 102.9959 21.51830       138.3895 
1 1 1 11  17 16 f 206.6851 68.34957 0.7598438      1.693084  0.6939930      3.098306  0.7878795      2.021620  213.7778 102.1025 199.5924 90.89413 14.18542       136.6991 
1 1 1 11  18 0  o 567.7808 72.84810 9.040853       1.685395  9.590819       3.598162  8.886274       1.907603  559.6385 129.5543 575.9230 66.65636 -16.28442      145.6962 
1 1 1 11  18 1  o 809.7246 57.00013 18.21579       2.044988  17.06117       3.789058  18.69035       2.429155  776.8058 98.56416 842.6434 57.28144 -65.83765      114.0003 
1 1 1 11  18 2  f 492.2075 86.22964 6.884212       2.278609  3.428324       2.947754  12.01495       3.591710  348.6866 127.7406 635.7284 115.8643 -287.0418      172.4593 
1 1 1 11  18 3  o 684.1987 58.01163 11.14467       1.703080  9.559727       1.920701  16.97402       3.683519  596.4132 64.64535 771.9841 96.34510 -175.5709      116.0233 
1 1 1 11  18 4  o 718.2132 63.78750 14.24856       1.951808  13.88977       2.253544  15.32572       3.904706  719.8753 62.45253 716.5511 111.2433 3.324219       127.5750 
1 1 1 11  18 5  o 520.4328 72.22552 6.632893       1.618955  5.196808       1.835114  11.67424       3.438322  423.3936 88.46349 617.4720 114.1942 -194.0785      144.4510 
1 1 1 11  18 6  o 330.3974 60.09191 3.163483       1.111754  5.009378       1.585911  1.379818       1.558950  420.0391 77.42993 240.7557 91.91711 179.2833       120.1838 
1 1 1 11  18 7  o 477.9500 54.92157 6.439050       1.275175  5.876810       1.690145  7.182024       1.942897  454.6021 76.12771 501.2980 79.18387 -46.69595      109.8431 
1 1 1 11  18 8  o 235.7356 63.99074 1.304489       1.076285  1.860982       1.617320  0.8621494      1.441930  258.7513 94.64590 212.7200 86.14761 46.03125       127.9815 
1 1 1 11  18 9  o 287.2206 64.28724 2.112045       1.048021  4.035250       1.822578  1.162011       1.280982  356.5739 97.95275 217.8673 83.28659 138.7066       128.5745 
1 1 1 11  18 10 f 358.6561 61.25122 4.171016       1.197928  2.015913       1.751143  6.066629       1.642337  261.0345 97.92709 456.2777 73.60117 -195.2432      122.5024 
1 1 1 11  18 11 o 244.1177 67.71638 1.736010       1.280846  -0.3077038     2.627594  2.372987       1.466933  216.7750 100.4927 271.4604 90.79233 -54.68539      135.4328 
1 1 1 11  18 12 f 247.9045 75.17833 1.469926       1.331243  1.089482       1.460006  3.345860       3.242034  209.4044 85.96930 286.4046 123.3548 -77.00012      150.3567 
1 1 1 11  18 13 o 263.1678 57.96756 1.984919       1.072674  4.341308       1.549639  -0.1828388     1.486321  357.8224 86.49809 168.5131 77.19476 189.3093       115.9351 
1 1 1 11  18 14 o 273.9004 68.20372 2.904654       1.268042  3.838325       1.685151  1.685891       1.925313  319.1947 96.26791 228.6060 96.64098 90.58864       136.4074 
1 1 1 11  18 15 o 237.9974 69.60554 1.870435       1.276099  1.091388       1.531840  3.637063       2.306768  199.5342 85.33858 276.4606 109.9866 -76.92639      139.2111 
1 1 1 11  19 0  o 555.3804 81.31705 10.95389       1.718713  11.81469       1.889102  6.817496       4.141095  666.8355 56.48769 443.9252 152.5090 222.9103       162.6341 
1 1 1 11  19 1  o 906.0061 56.44849 20.71590       2.106831  19.25125       2.353816  26.61689       4.724631  852.8191 54.80725 959.1931 98.70103 -106.3740      112.8970 
1 1 1 11  19 2  o 322.8093 67.44191 3.388203       1.117755  3.798309       1.215604  1.144069       2.843601  370.5934 67.26791 275.0253 116.9131 95.56812       134.8838 
1 1 1 11  19 3  o 446.0773 88.99615 6.307140       2.238795  3.577237       3.019279  9.641294       3.336740  342.9546 128.6004 549.2000 123.0578 -206.2455      177.9923 
1 1 1 11  19 4  o 264.9351 76.78454 0.7438850      1.258015  0.2002476      1.371630  3.623594       3.156869  187.7435 80.53616 342.1268 130.7570 -154.3833      153.5691 
1 1 1 11  19 5  f 246.5334 70.61443 1.287066       1.192216  1.337467       1.334638  1.088001       2.652404  230.6953 85.69813 262.3714 112.2561 -31.67609      141.2289 
1 1 1 11  19 6  o 261.5673 80.76716 0.1771633      2.193515  2.784688       3.024647  -2.715662      3.185822  309.9654 125.0357 213.1692 102.2713 96.79622       161.5343 
1 1 1 11  19 7  o 222.8001 59.60894 1.179740       0.9722718 0.3102039      1.491473  1.822326       1.282146  194.4953 83.71857 251.1049 84.87701 -56.60966      119.2179 
1 1 1 11  19 8  o 138.1851 46.73669 -1.395791      0.8407380 -0.6556044     1.462068  -1.761456      1.027634  164.9512 75.93044 111.4189 54.51459 53.53229       93.47338 
1 1 1 11  19 9  o 323.9006 66.79211 3.047568       1.183424  5.187418       1.967374  1.834306       1.481401  398.8131 98.11293 248.9881 90.65648 149.8250       133.5842 
1 1 1 11  19 10 o 248.2913 63.61056 1.796833       1.122506  2.883473       1.537429  0.5562570      1.642722  294.9152 92.51344 201.6674 87.32971 93.24779       127.2211 
1 1 1 11  19 11 o 187.4381 80.08039 0.5905602      1.346311  0.000000       0.000000  0.5905602      1.346311  ?        ?        187.4381 80.08039 ?              ?        
1 1 1 11  19 12 o 180.2522 57.48040 0.1604534      1.054628  0.6013860      1.796534  -0.7139285E-01 1.302715  198.4018 88.40457 162.1025 73.48890 36.29927       114.9608 
1 1 1 11  19 13 o 414.5742 75.58714 8.821167       1.851339  9.592473       2.035544  5.128870       4.453644  546.6133 75.57766 282.5352 130.9262 264.0781       151.1743 
1 1 1 11  19 14 o 373.0735 66.41845 5.525995       1.343149  7.216506       1.843324  3.612471       1.961145  459.5682 82.24581 286.5788 104.3133 172.9894       132.8369 
1 1 1 11  19 15 o 358.6563 65.90202 5.148675       1.231750  4.070597       1.692554  6.362502       1.795955  307.2660 97.16093 410.0467 89.06212 -102.7808      131.8040 
1 1 1 11  20 0  o 260.4964 57.02227 1.849566       0.8172685 1.480611       1.042733  2.437206       1.315959  232.1714 76.50375 288.8214 84.57738 -56.65005      114.0445 
1 1 1 11  20 1  o 263.8431 68.59129 1.984561       1.040068  2.318218       1.082223  -2.049674      3.763113  284.0050 74.38343 243.6811 115.2656 40.32390       137.1826 
1 1 1 11  20 2  o 187.5597 52.10396 0.5785027      0.7176428 0.2248789      0.9156520 1.141632       1.155484  159.6082 67.01423 215.5111 79.80215 -55.90283      104.2079 
1 1 1 11  20 3  o 215.9602 61.97352 0.7702194      1.151052  -4.435405      2.962343  1.695927       1.249211  186.0597 91.34750 245.8607 83.77650 -59.80101      123.9470 
1 1 1 11  20 4  o 310.8840 90.90282 2.776747       2.330340  2.620739       3.260689  2.939620       3.331654  306.6600 127.4283 315.1081 129.6739 -8.448090      181.8056 
1 1 1 11  20 5  o 537.9811 48.45360 8.213560       1.273676  7.514824       1.879646  8.806775       1.731910  511.3539 74.81921 564.6082 61.58808 -53.25430      96.90720 
1 1 1 11  20 6  o 353.6744 95.00401 3.968025       1.737255  3.968025       1.737255  0.000000       0.000000  353.6744 95.00401 ?        ?        ?              ?        
1 1 1 11  20 7  o 298.8719 61.83006 2.807238       1.006620  2.367986       1.459761  3.205483       1.389953  275.6367 90.50362 322.1070 84.26695 -46.47021      123.6601 
1 1 1 11  20 8  o 329.8629 59.77199 3.709287       1.107412  1.713998       1.752627  5.035303       1.428765  245.4392 96.42953 414.2865 70.65485 -168.8474      119.5440 
1 1 1 11  20 9  o 360.3715 62.64174 4.236957       1.128602  4.287724       1.711326  4.197883       1.501372  357.3660 93.50810 363.3770 83.37975 -6.011078      125.2835 
1 1 1 11  20 10 o 200.7114 57.87507 0.9711463      0.9673236 0.1191628      1.575719  1.486416       1.225408  181.3867 81.65333 220.0361 82.04163 -38.64948      115.7501 
1 1 1 11  20 11 o 105.4086 37.23640 -2.431294      0.7971312 -3.236830      1.326378  -1.975854      0.9973345 108.5981 54.54858 102.2191 50.70158 6.379082       74.47280 
1 1 1 11  20 12 o 304.9728 77.15666 3.773770       1.374976  5.365051       2.748780  3.242740       1.587911  320.2407 122.1036 289.7048 94.35731 30.53589       154.3133 
1 1 1 11  20 13 o 212.8985 87.60773 1.524305       1.520585  1.524305       1.520585  0.000000       0.000000  212.8985 87.60773 ?        ?        ?              ?        
1 1 1 11  20 14 o 172.3309 56.63305 0.1171319      1.207276  -0.5135561     1.808392  0.6242226      1.621542  163.4099 78.03469 181.2519 82.09625 -17.84192      113.2661 
1 1 1 11  21 0  o 524.7434 46.17441 7.651555       1.195409  6.865632       1.646638  8.527314       1.738203  494.4031 67.55368 555.0837 62.96669 -60.68060      92.34882 
1 1 1 11  21 1  o 325.1281 80.82061 2.544495       1.057172  2.317115       1.100782  5.244794       3.793421  280.6237 75.72675 369.6326 142.8053 -89.00897      161.6412 
1 1 1 11  21 2  o 659.9247 63.49554 12.29596       1.803339  14.84569       3.623195  11.45632       2.079166  678.8889 109.1126 640.9606 64.97063 37.92834       126.9911 
1 1 1 11  21 3  o 305.7714 88.89230 2.686884       2.316042  4.551764       3.251648  0.7665563      3.299634  349.3033 132.8949 262.2395 118.0945 87.06372       177.7846 
1 1 1 11  21 4  o 186.0556 59.42035 0.8244302E-01  1.027133  -4.589367      3.152296  0.6373616      1.086423  187.1251 92.32657 184.9862 74.82591 2.138901       118.8407 
1 1 1 11  21 5  o 502.6371 80.88974 9.480062       1.846843  7.396061       3.733147  10.15539       2.125116  413.5849 144.6467 591.6893 72.45634 -178.1044      161.7795 
1 1 1 11  21 6  o 202.1420 63.33808 0.5482912      1.053279  -2.278539      3.200411  0.8916613      1.115417  208.5046 100.6449 195.7794 76.92503 12.72513       126.6762 
1 1 1 11  21 7  o 285.7922 71.40337 3.017052       1.557502  4.137378       1.732044  -1.716270      3.560161  350.7089 95.13725 220.8754 106.5020 129.8335       142.8067 
1 1 1 11  21 8  o 191.3153 55.66290 0.7831303      0.8548270 0.9218990      1.344284  0.6889225      1.107614  200.1016 82.36077 182.5291 74.90084 17.57249       111.3258 
1 1 1 11  21 9  o 184.1252 55.53673 0.5918347      0.9125876 0.9762622      1.360619  0.2774827      1.230375  198.6550 82.41230 169.5954 74.46828 29.05963       111.0735 
1 1 1 11  21 10 o 173.8246 53.91917 0.2497982      0.8675535 1.164449       1.489156  -0.2201276     1.067400  204.1368 85.57317 143.5123 65.62273 60.62450       107.8383 
1 1 1 11  21 11 o 329.4420 64.70020 4.060941       1.110313  4.311725       1.690965  3.870868       1.472123  333.0528 95.40102 325.8312 87.42487 7.221558       129.4004 
1 1 1 11  21 12 o 300.0167 75.45047 2.930743       1.217299  7.539872       2.753044  1.810620       1.357178  377.6525 124.3027 222.3809 85.55663 155.2716       150.9009 
1 1 1 11  21 13 o 264.5869 70.51612 3.768901       1.528909  4.320644       1.682886  1.160966       3.658765  318.3581 96.24534 210.8158 103.0870 107.5423       141.0322 
1 1 1 11  22 0  o 426.5129 56.11686 5.310836       1.154651  4.505053       1.500888  6.479244       1.807326  387.1067 79.25119 465.9191 79.47112 -78.81247      112.2337 
1 1 1 11  22 1  o 258.4555 83.53233 0.5047529      2.422298  -0.6237758     3.211598  1.993829       3.689124  232.6385 108.9234 284.2726 126.6740 -51.63409      167.0647 
1 1 1 11  22 2  o 227.3517 64.83552 1.288735       1.152516  -1.587893      2.851993  1.850188       1.259978  207.1571 98.66817 247.5463 84.13779 -40.38922      129.6710 
1 1 1 11  22 3  f 317.4882 71.42564 0.3968524      1.016793  9.339898       3.218385  -0.5947598     1.071682  495.7614 127.5060 139.2150 64.41051 356.5464       142.8513 
1 1 1 11  22 4  o 160.9061 48.37246 0.2637115      0.6798129 0.1838815      0.8890778 0.3760829      1.054835  152.0255 65.01682 169.7867 71.64071 -17.76114      96.74491 
1 1 1 11  22 5  o 242.3943 111.7206 0.6595578      3.178889  0.6595578      3.178889  0.000000       0.000000  242.3943 111.7206 ?        ?        ?              ?        
1 1 1 11  22 6  o 290.7873 80.38213 2.725694       1.222894  0.000000       0.000000  2.725694       1.222894  ?        ?        290.7873 80.38213 ?              ?        
1 1 1 11  22 7  o 297.7343 76.42407 3.802642       1.587837  4.250468       1.768233  1.937705       3.608419  341.5152 97.46627 253.9533 117.7407 87.56197       152.8481 
1 1 1 11  22 8  o 210.7054 57.52279 1.378333       0.8649009 1.571071       1.304998  1.227356       1.155001  219.2147 84.00116 202.1961 78.60846 17.01860       115.0456 
1 1 1 11  22 9  o 160.1122 50.46718 0.1632563      0.8454134 -0.7004232     1.455259  0.6032193      1.038657  151.0822 71.52853 169.1421 71.21387 -18.05986      100.9344 
1 1 1 11  22 10 o 152.3159 49.12210 -0.4125318E-01 0.8413445 -0.4574667     1.332987  0.2343528      1.084706  148.8211 69.83666 155.8107 69.09966 -6.989609      98.24420 
1 1 1 11  22 11 f 138.2888 44.26017 -0.3277419     0.7455448 -2.185275      1.309334  0.5634699      0.9069277 117.0145 58.04924 159.5632 66.82916 -42.54866      88.52035 
1 1 1 11  22 12 o 195.3949 55.94648 1.028354       0.9099928 2.446219       1.406254  0.6907767E-02  1.193587  241.0895 88.24386 149.7002 68.79720 91.38930       111.8930 
1 1 1 11  23 0  o 311.6600 61.66905 3.099008       1.001864  2.695861       1.307301  3.672734       1.559539  289.5750 84.15610 333.7451 90.16673 -44.17010      123.3381 
1 1 1 11  23 1  o 474.3649 52.15720 6.980396       1.155796  8.305609       1.545767  5.300040       1.740611  542.8397 57.10173 405.8901 87.29768 136.9496       104.3144 
1 1 1 11  23 2  o 234.5428 68.62213 0.2431609      1.005718  4.404710       2.635376  -0.4662195     1.088065  326.9229 120.6255 142.1629 65.46357 184.7600       137.2443 
1 1 1 11  23 3  o 221.9185 65.40565 1.261102       0.8771757 1.358834       0.9068182 -0.1609162     3.459021  212.8745 71.38363 230.9625 109.6174 -18.08800      130.8113 
1 1 1 11  23 4  o 341.8994 73.43980 5.063894       1.531494  2.503431       3.566216  5.642881       1.695831  266.3380 121.0707 417.4608 83.15958 -151.1228      146.8796 
1 1 1 11  23 5  o 284.7696 57.45180 2.742151       0.9064815 1.919121       1.294609  3.533778       1.269671  239.0943 85.03832 330.4448 77.27431 -91.35048      114.9036 
1 1 1 11  23 6  o 550.6954 53.60913 9.810143       1.408496  9.051177       2.177905  10.35580       1.846658  514.9486 86.61391 586.4421 63.19642 -71.49353      107.2183 
1 1 1 11  23 7  o 434.0661 69.43616 6.675625       1.318524  8.522611       2.699335  6.096849       1.511056  431.6156 119.4691 436.5166 70.80019 -4.901001      138.8723 
1 1 1 11  23 8  o 199.9706 63.81145 1.021721       1.318228  1.370688       1.474214  -0.3704541     2.944525  204.6120 85.40783 195.3293 94.83199 9.282654       127.6229 
1 1 1 11  23 9  o 201.8908 57.44274 1.217291       0.8947712 2.220351       1.446424  0.5954962      1.138822  235.3159 88.84889 168.4658 72.83233 66.85010       114.8855 
1 1 1 11  23 10 o 204.7419 55.75494 1.505354       0.8993750 0.4117872      1.489409  2.132940       1.128309  171.4853 78.06460 237.9985 79.62645 -66.51324      111.5099 
1 1 1 11  23 11 o 295.3904 59.97043 3.386464       1.017261  5.380194       1.573971  1.956267       1.333096  373.3878 85.15083 217.3931 84.46979 155.9948       119.9409 
1 1 1 11  24 0  o 157.3432 55.15195 -0.9715688     0.8138823 -0.1609749     2.614878  -1.058520      0.8564227 206.4144 97.16309 108.2721 52.21384 98.14233       110.3039 
1 1 1 11  24 1  o 225.5850 59.00546 1.729909       0.8889906 -0.9879797     2.747725  2.047669       0.9395223 196.9514 94.62015 254.2186 70.52380 -57.26718      118.0109 
1 1 1 11  24 2  o 294.9187 78.49047 1.276566       1.081224  9.387520       3.446240  0.3910137      1.138719  421.5955 139.0891 168.2420 72.78218 253.3536       156.9809 
1 1 1 11  24 3  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 11  24 4  o 256.2195 69.62241 2.697719       1.250718  2.057201       2.906169  2.843320       1.385600  235.6660 107.9517 276.7729 87.95200 -41.10684      139.2448 
1 1 1 11  24 5  o 142.1222 44.45211 0.7759428E-01  0.6378652 0.3791836      0.9065790 -0.2180786     0.8976426 153.1966 65.58916 131.0477 60.01685 22.14885       88.90423 
1 1 1 11  24 6  o 252.2218 71.83760 2.997704       1.402796  3.102684       1.513337  2.356845       3.739080  275.2573 92.21643 229.1864 110.1757 46.07094       143.6752 
1 1 1 11  24 7  o 318.2010 69.17567 4.767898       1.255046  4.539026       2.976150  4.817402       1.384138  263.2635 115.7029 373.1385 75.85470 -109.8751      138.3513 
1 1 1 11  24 8  o 186.8585 54.77452 1.090166       0.8223242 1.329352       1.375602  0.9571621      1.025788  196.0280 82.21358 177.6889 72.40108 18.33904       109.5490 
1 1 1 11  24 9  o 156.3735 49.04464 0.4113884      0.7186186 0.5309725      1.331053  0.3621927      0.8537325 167.3433 75.21582 145.4038 62.96098 21.93948       98.08927 
1 1 1 11  24 10 o 197.1297 49.61313 1.132548       0.8769618 -1.656056      1.439525  2.778234       1.105858  126.1569 62.27203 268.1024 77.25311 -141.9456      99.22626 
1 1 1 11  25 0  o 208.5884 72.26591 -0.1052234     2.515555  -0.1656308     3.156532  -0.8232344E-04 4.164392  202.2627 98.19546 214.9141 106.0523 -12.65144      144.5318 
1 1 1 11  25 1  o 198.7330 99.71801 -2.466637      4.372618  0.000000       0.000000  -2.466637      4.372618  ?        ?        198.7330 99.71801 ?              ?        
1 1 1 11  25 2  o 188.1897 50.31731 1.120565       0.6522455 1.137670       1.004682  1.108104       0.8575264 189.4780 73.41183 186.9013 68.83334 2.576752       100.6346 
1 1 1 11  25 3  o 154.1143 54.98031 -0.6619305     0.8299071 -0.6955150     3.361150  -0.6597500     0.8564237 193.8320 95.58014 114.3966 54.36705 79.43543       109.9606 
1 1 1 11  25 4  o 182.3960 74.35156 1.026941       1.082399  0.000000       0.000000  1.026941       1.082399  ?        ?        182.3960 74.35156 ?              ?        
1 1 1 11  25 5  f 121.9303 56.08076 -0.2051394     0.7953283 0.000000       0.000000  -0.2051394     0.7953283 ?        ?        121.9303 56.08076 ?              ?        
1 1 1 11  25 6  o 175.0345 51.87323 0.8635461      0.7569690 1.260177       1.213577  0.6109582      0.9684572 190.2005 78.26630 159.8686 68.10075 30.33192       103.7465 
1 1 1 11  25 7  o 195.1034 55.42329 1.115090       0.8106238 2.485178       1.418678  0.4509242      0.9877515 236.9496 88.28905 153.2572 67.02245 83.69232       110.8466 
1 1 1 11  25 8  o 251.8241 69.94101 3.132533       1.164515  4.979296       2.886282  2.773457       1.272701  249.0639 111.4370 254.5842 84.55041 -5.520325      139.8820 
1 1 1 11  25 9  o 203.0448 65.79051 2.201922       1.410240  2.087622       1.506828  3.008719       4.003339  206.8040 86.33720 199.2856 99.29478 7.518463       131.5810 
1 1 1 11  26 0  o 230.0801 67.22423 2.230397       1.072262  3.407419       3.419773  2.102065       1.129205  227.6317 108.3164 232.5285 79.64886 -4.896835      134.4485 
1 1 1 11  26 1  o 115.0892 53.24582 -0.6041625     0.7160770 -8.172644      3.427720  -0.2587825     0.7322334 ?        ?        115.0892 53.24582 ?              ?        
1 1 1 11  26 2  o 126.3647 54.53509 0.2018607      0.6362455 0.000000       0.000000  0.2018607      0.6362455 ?        ?        126.3647 54.53509 ?              ?        
1 1 1 11  26 3  o 121.0116 38.63208 -0.5921294E-01 0.5104160 -0.3326145     0.7507529 0.1757805      0.6960243 113.5364 52.99674 128.4868 56.22362 -14.95032      77.26416 
1 1 1 11  26 4  o 183.8243 72.83083 1.192373       1.007623  0.000000       0.000000  1.192373       1.007623  ?        ?        183.8243 72.83083 ?              ?        
1 1 1 11  26 5  o 138.6497 59.92510 0.1686402      0.7567415 -4.581624      4.020951  0.3430683      0.7705098 ?        ?        138.6497 59.92510 ?              ?        
1 1 1 11  26 6  o 234.7004 78.78035 5.508852       2.482053  7.381114       3.864969  4.194769       3.237979  247.6076 117.0289 221.7932 105.4970 25.81438       157.5607 
1 1 1 11  26 7  o 200.1745 53.15577 1.669747       0.7904676 0.9003207      1.191709  2.274234       1.056283  166.9489 73.29795 233.4000 77.00361 -66.45105      106.3115 
1 1 1 11  26 8  o 194.6315 53.43242 1.705760       0.7723323 1.415003       1.249538  1.885514       0.9824812 179.7142 76.97394 209.5489 74.12900 -29.83466      106.8648 
1 1 1 11  27 0  o 163.1849 56.96378 0.1189651      0.7532799 2.453810       3.421709  0.4372809E-04  0.7722252 201.9292 98.94228 124.4407 56.47934 77.48846       113.9276 
1 1 1 11  27 1  o 137.3535 48.50965 -0.3230749     0.7016951 -3.217970      3.397377  -0.1940791     0.7171584 160.6672 81.43420 114.0397 52.73724 46.62749       97.01931 
1 1 1 11  27 2  o 127.7225 52.97718 0.3522060      0.5621186 0.000000       0.000000  0.3522060      0.5621186 ?        ?        127.7225 52.97718 ?              ?        
1 1 1 11  27 3  o 174.6431 61.55711 1.058797       0.6769005 0.000000       0.000000  1.058797       0.6769005 ?        ?        174.6431 61.55711 ?              ?        
1 1 1 11  27 4  o 132.4256 48.52477 -0.4154205     0.5327175 0.1859673      3.151198  -0.4331130     0.5404968 173.9912 86.91235 90.85997 43.18395 83.13124       97.04953 
1 1 1 11  27 5  o 189.0800 66.72807 2.537800       2.464090  5.081034       4.135121  1.137495       3.068361  201.2736 100.3861 176.8863 87.93841 24.38734       133.4561 
1 1 1 11  27 6  o 183.3110 64.34386 2.715957       2.311775  1.702649       3.475741  3.519854       3.095828  175.1631 88.02409 191.4589 93.87378 -16.29585      128.6877 
1 1 1 11  28 0  o 181.3356 64.70667 2.259709       2.795247  1.803234       3.612431  2.940849       4.412751  178.9320 89.89538 183.7393 93.09473 -4.807266      129.4133 
1 1 1 11  28 1  o 97.85383 46.83468 -0.4986445     0.6592677 0.000000       0.000000  -0.4986445     0.6592677 ?        ?        97.85383 46.83468 ?              ?        
1 1 1 11  28 2  o 182.7970 76.01778 1.561319       1.161688  0.000000       0.000000  1.561319       1.161688  ?        ?        182.7970 76.01778 ?              ?        
1 1 1 11  28 3  o 168.1883 55.94035 1.041845       0.9038915 3.014863       2.986700  0.8429153      0.9483649 182.3530 89.95305 154.0236 66.52625 28.32948       111.8807 
1 1 1 11  28 4  o ?        ?        -0.1877237     4.696908  0.000000       0.000000  -0.1877237     4.696908  ?        ?        ?        ?        ?              ?        
1 1 1 12  0  0  o 148.5964 65.21540 0.3783253      1.388777  0.3783253      1.388777  0.3783253      1.388777  148.5964 92.22851 148.5964 92.22851 0.000000       0.000000 
1 1 1 12  0  1  o 1494.181 56.08955 57.25008       5.961823  57.25008       5.961823  57.25008       5.961823  1494.181 79.32260 1494.181 79.32260 0.000000       0.000000 
1 1 1 12  0  2  f 1830.563 59.28923 85.80082       7.733554  85.80082       7.733554  85.80082       7.733554  1830.563 83.84763 1830.563 83.84763 0.000000       0.000000 
1 1 1 12  0  3  o 313.4883 104.6051 3.698767       2.652213  3.698767       2.652213  3.698767       2.652213  313.4883 147.9340 313.4883 147.9340 0.000000       0.000000 
1 1 1 12  0  4  o 514.5317 91.65415 7.923902       2.920155  7.923902       2.920155  7.923902       2.920155  514.5317 129.6185 514.5317 129.6185 0.000000       0.000000 
1 1 1 12  0  5  o 1189.593 38.94780 36.16433       3.301064  36.16433       3.301064  36.16433       3.301064  1189.593 55.08051 1189.593 55.08051 0.000000       0.000000 
1 1 1 12  0  6  o 685.4106 45.14450 12.25786       2.171232  12.25786       2.171232  12.25786       2.171232  685.4106 63.84397 685.4106 63.84397 0.000000       0.000000 
1 1 1 12  0  7  o 1585.963 58.47459 64.84991       6.598639  64.84991       6.598639  64.84991       6.598639  1585.963 82.69556 1585.963 82.69556 0.000000       0.000000 
1 1 1 12  0  8  o 164.3835 69.58155 0.7352521      1.460064  0.7352521      1.460064  0.7352521      1.460064  164.3835 98.40317 164.3835 98.40317 0.000000       0.000000 
1 1 1 12  0  9  o 1484.484 40.48243 56.41970       4.288165  56.41970       4.288165  56.41970       4.288165  1484.484 57.25080 1484.484 57.25080 0.000000       0.000000 
1 1 1 12  0  10 o 272.7191 104.6035 2.867783       2.869660  2.867783       2.869660  2.867783       2.869660  272.7191 147.9317 272.7191 147.9317 0.000000       0.000000 
1 1 1 12  0  11 o 1369.875 39.86483 48.28885       3.894883  48.28885       3.894883  48.28885       3.894883  1369.875 56.37738 1369.875 56.37738 0.000000       0.000000 
1 1 1 12  0  12 o 282.8045 81.92345 2.959306       1.636344  2.959306       1.636344  2.959306       1.636344  282.8045 115.8573 282.8045 115.8573 0.000000       0.000000 
1 1 1 12  0  13 o 306.7875 82.52781 3.408267       1.705097  3.408267       1.705097  3.408267       1.705097  306.7875 116.7120 306.7875 116.7120 0.000000       0.000000 
1 1 1 12  0  14 f 225.6718 81.02073 2.094884       1.636829  2.094884       1.636829  2.094884       1.636829  225.6718 114.5806 225.6718 114.5806 0.000000       0.000000 
1 1 1 12  0  15 o 169.7798 78.81913 0.1231872      2.409194  0.1231872      2.409194  0.1231872      2.409194  169.7798 111.4671 169.7798 111.4671 0.000000       0.000000 
1 1 1 12  0  16 o 738.9446 46.79573 14.87885       2.430137  14.87885       2.430137  14.87885       2.430137  738.9446 66.17915 738.9446 66.17915 0.000000       0.000000 
1 1 1 12  0  17 o 236.2959 83.56921 2.575645       1.726562  2.575645       1.726562  2.575645       1.726562  236.2959 118.1847 236.2959 118.1847 0.000000       0.000000 
1 1 1 12  0  18 o 148.6848 68.66034 0.4243842      1.792717  0.4243842      1.792717  0.4243842      1.792717  148.6848 97.10038 148.6848 97.10038 0.000000       0.000000 
1 1 1 12  0  19 o 320.2846 86.26252 4.372533       1.861992  4.372533       1.861992  4.372533       1.861992  320.2846 121.9936 320.2846 121.9936 0.000000       0.000000 
1 1 1 12  1  0  o 1411.933 48.45122 51.96798       3.240976  47.61406       5.521621  54.25644       4.003107  1362.895 80.37983 1460.971 54.12177 -98.07544      96.90244 
1 1 1 12  1  1  o 1461.043 49.32283 55.63128       3.378377  57.73699       4.126108  51.34827       5.884581  1507.087 54.07773 1414.998 82.50190 92.08960       98.64565 
1 1 1 12  1  2  o 2594.429 49.82848 171.6401       6.542421  165.6249       9.222731  177.7333       9.282318  2548.396 71.48401 2640.461 69.43734 -92.06421      99.65695 
1 1 1 12  1  3  o 967.1731 40.74406 23.87305       1.984113  25.29355       2.836801  22.51269       2.776102  995.5815 56.51480 938.7646 58.70596 56.81696       81.48811 
1 1 1 12  1  4  o 1284.976 46.62006 41.79842       2.887048  40.93778       3.568078  43.43020       4.913072  1268.383 55.56486 1301.569 74.87501 -33.18604      93.24012 
1 1 1 12  1  5  o 2807.662 64.80006 203.4082       8.671389  204.4119       10.62832  201.4099       14.99651  2826.044 74.28515 2789.280 106.1975 36.76440       129.6001 
1 1 1 12  1  6  o 2483.065 60.11190 158.7125       7.131968  159.0369       12.30995  158.5486       8.750158  2477.901 98.12703 2488.230 69.46111 -10.32935      120.2238 
1 1 1 12  1  7  f 1724.299 50.55494 76.09158       4.185663  77.24407       7.178646  75.49793       5.152087  1730.239 81.95071 1718.358 59.22237 11.88098       101.1099 
1 1 1 12  1  8  o 384.1739 65.13332 3.823720       1.214774  3.333175       1.515563  4.705161       2.031565  351.7768 85.85349 416.5710 97.97234 -64.79419      130.2666 
1 1 1 12  1  9  o 1494.968 56.36789 57.26344       4.266258  0.000000       0.000000  57.26344       4.266258  ?        ?        1494.968 56.36789 ?              ?        
1 1 1 12  1  10 o 1411.292 52.41558 52.51311       3.445932  53.73678       4.176998  49.90576       6.097219  1445.915 57.06079 1376.670 87.94110 69.24561       104.8312 
1 1 1 12  1  11 o 903.3090 41.12635 21.17250       1.870649  21.32043       2.637105  21.02268       2.653969  906.6516 57.75243 899.9664 58.56758 6.685181       82.25269 
1 1 1 12  1  12 f 1162.270 39.14399 35.03386       2.302736  35.35374       3.299902  34.73024       3.214882  1167.192 55.84380 1157.347 54.86784 9.845459       78.28799 
1 1 1 12  1  13 o 588.3550 48.55302 9.259440       1.409970  8.071733       1.947910  10.56661       2.043522  546.6956 72.14049 630.0145 65.00257 -83.31885      97.10605 
1 1 1 12  1  14 o 351.4191 66.01691 3.590868       1.251423  2.225307       1.787014  4.904989       1.753033  287.0098 100.0941 415.8284 86.10515 -128.8186      132.0338 
1 1 1 12  1  15 o 326.9442 78.74352 3.105095       1.525254  2.882055       1.929800  3.476324       2.489676  313.9168 104.1071 339.9717 118.1689 -26.05490      157.4870 
1 1 1 12  1  16 o 295.9342 105.0616 2.586105       1.975182  0.000000       0.000000  2.586105       1.975182  ?        ?        295.9342 105.0616 ?              ?        
1 1 1 12  1  17 o 236.4688 72.88860 0.8282894      1.533540  1.068938       1.786497  0.1544076      2.989530  229.1504 94.69631 243.7871 110.8314 -14.63678      145.7772 
1 1 1 12  1  18 o 255.0867 67.66008 1.629079       1.329347  -0.1590743     1.913451  3.297365       1.848206  196.8535 89.16994 313.3199 101.7854 -116.4663      135.3202 
1 1 1 12  1  19 o 294.4315 62.72213 2.801707       1.262704  0.1180173      1.925761  4.825672       1.672391  200.3215 90.21417 388.5414 87.16460 -188.2198      125.4443 
1 1 1 12  2  0  o 883.1343 40.55414 19.97164       1.791556  17.30967       2.515708  22.71090       2.551968  822.5268 60.84419 943.7417 53.63337 -121.2149      81.10828 
1 1 1 12  2  1  o 300.7216 65.36640 2.300696       1.100375  2.730253       1.569306  1.885232       1.543350  322.4333 91.75089 279.0098 93.12807 43.42349       130.7328 
1 1 1 12  2  2  o 774.4377 41.18824 15.30756       1.601111  14.47757       2.204449  16.23426       2.329334  752.1336 58.34909 796.7419 58.14866 -44.60834      82.37647 
1 1 1 12  2  3  o 731.3728 56.92938 13.93465       1.892890  14.08803       2.272179  13.58676       3.421934  741.3826 61.08000 721.3631 96.08878 20.01947       113.8588 
1 1 1 12  2  4  o 832.9998 40.29754 17.74996       1.680966  20.02927       2.412789  15.60019       2.343228  885.6381 54.07108 780.3615 59.76527 105.2767       80.59509 
1 1 1 12  2  5  o 1229.559 38.89617 38.53648       2.418054  40.89881       3.425354  36.18985       3.413963  1267.370 53.38489 1191.749 56.58359 75.62158       77.79234 
1 1 1 12  2  6  o 1533.162 39.48003 59.96333       3.064266  60.22634       4.317550  59.69639       4.349683  1536.619 55.49929 1529.704 56.16510 6.915161       78.96005 
1 1 1 12  2  7  o 283.8262 70.73004 1.596969       1.213539  1.029970       1.473859  2.790544       2.138404  235.3210 89.48541 332.3314 109.5596 -97.01041      141.4601 
1 1 1 12  2  8  f 907.3363 45.67570 20.80846       2.008246  19.72254       2.495810  22.80279       3.382289  876.2266 56.56356 938.4460 71.73312 -62.21942      91.35139 
1 1 1 12  2  9  o 795.8417 60.47732 16.35134       2.418475  0.000000       0.000000  16.35134       2.418475  ?        ?        795.8417 60.47732 ?              ?        
1 1 1 12  2  10 o 2126.488 56.58068 118.7596       5.747283  115.6337       9.835629  120.3803       7.082174  2094.094 92.77318 2158.883 64.79685 -64.78931      113.1614 
1 1 1 12  2  11 o 835.5471 57.26518 18.46379       2.142376  18.35110       2.529365  18.74989       4.030128  839.9269 59.87412 831.1673 97.63346 8.759644       114.5304 
1 1 1 12  2  12 o 606.0066 46.20916 9.766148       1.386612  9.057377       2.013662  10.40529       1.912200  583.0375 69.59452 628.9756 60.80911 -45.93817      92.41832 
1 1 1 12  2  13 o 1063.581 40.03660 29.64298       2.147646  30.31164       3.041306  28.97789       3.033170  1075.951 56.02579 1051.210 57.20863 24.74097       80.07320 
1 1 1 12  2  14 o 297.6567 59.04959 2.051707       1.187340  4.778750       1.681650  -0.6591961     1.676666  411.2842 83.61154 184.0292 83.40580 227.2550       118.0992 
1 1 1 12  2  15 o 272.3734 63.01921 1.658009       1.240304  3.759112       1.682222  -0.8446602     1.835952  357.4128 92.31780 187.3339 85.80856 170.0789       126.0384 
1 1 1 12  2  16 o 302.6221 104.8794 2.761870       1.960491  0.000000       0.000000  2.761870       1.960491  ?        ?        302.6221 104.8794 ?              ?        
1 1 1 12  2  17 o 265.6002 78.92361 1.618490       1.675954  1.374623       1.999091  2.195291       3.074466  244.5524 100.5206 286.6480 121.7019 -42.09558      157.8472 
1 1 1 12  2  18 o 188.5112 60.77761 -0.4696994     1.190442  -0.9892667     1.444836  0.6286111      2.100681  154.6728 72.62263 222.3496 97.47628 -67.67682      121.5552 
1 1 1 12  2  19 o 278.1851 73.96030 2.674689       1.440348  3.099416       1.860757  2.039777       2.275052  297.5116 102.2298 258.8586 106.9092 38.65295       147.9206 
1 1 1 12  3  0  o 1742.119 40.90485 77.23442       3.606044  75.47502       5.138233  78.94203       5.062053  1722.401 58.92448 1761.837 56.75150 -39.43530      81.80970 
1 1 1 12  3  1  o 226.0629 60.24732 0.9530128      0.9420055 0.7509490      1.390609  1.124365       1.280577  220.3744 86.09369 231.7515 84.30206 -11.37711      120.4946 
1 1 1 12  3  2  o 658.6240 44.01557 11.15165       1.447821  10.46286       2.045767  11.84282       2.049295  637.7455 64.23590 679.5024 60.19328 -41.75690      88.03114 
1 1 1 12  3  3  o 1025.456 39.99845 26.93660       2.058438  25.59093       3.014566  28.11213       2.817551  1000.815 59.76892 1050.097 53.17123 -49.28149      79.99690 
1 1 1 12  3  4  o 775.3599 40.79283 15.38148       1.588223  16.33846       2.278536  14.47713       2.214983  799.0752 56.69081 751.6447 58.67173 47.43054       81.58566 
1 1 1 12  3  5  o 528.6943 47.84294 7.257900       1.251135  7.313148       1.780692  7.204033       1.758266  530.6796 67.83039 526.7091 67.48944 3.970520       95.68587 
1 1 1 12  3  6  o 1196.106 47.34665 36.94900       2.710778  37.50000       3.359082  35.92009       4.590242  1212.459 54.72298 1179.752 77.28011 32.70728       94.69330 
1 1 1 12  3  7  o 475.2043 62.50774 5.631378       1.394233  4.661168       1.707966  7.569169       2.413790  417.6434 83.69308 532.7651 92.86732 -115.1217      125.0155 
1 1 1 12  3  8  o 684.9756 59.74305 13.20331       1.786421  10.24609       3.158796  14.59388       2.166090  617.0044 104.8765 752.9468 57.25249 -135.9424      119.4861 
1 1 1 12  3  9  o 1206.219 39.33844 37.28051       2.401961  38.09608       3.427332  36.49331       3.367237  1219.208 55.52578 1193.229 55.73991 25.97937       78.67687 
1 1 1 12  3  10 o 959.1437 56.27023 24.15691       2.702618  24.50414       3.956069  23.85303       3.700843  964.6654 81.77317 953.6219 77.32077 11.04352       112.5405 
1 1 1 12  3  11 o 1181.884 59.51269 37.28468       3.519056  33.34554       4.985497  41.19614       4.967943  1115.831 88.99249 1247.938 79.04034 -132.1063      119.0254 
1 1 1 12  3  12 o 946.9866 49.64500 23.27794       2.194596  25.09808       3.958768  22.47041       2.636865  965.8319 81.72764 928.1412 56.38350 37.69067       99.29001 
1 1 1 12  3  13 o 1215.702 39.90192 38.66774       2.454509  40.02886       3.466668  37.29949       3.475749  1237.927 55.31379 1193.476 57.52424 44.45117       79.80385 
1 1 1 12  3  14 o 889.7099 53.34858 22.09928       2.211975  23.28726       2.735959  19.85732       3.758538  938.1788 57.88509 841.2410 89.63035 96.93774       106.6972 
1 1 1 12  3  15 o 226.2093 70.18365 -0.1638079     1.423674  1.311551       2.599560  -0.7958964     1.701531  271.8621 113.4410 180.5565 82.66866 91.30560       140.3673 
1 1 1 12  3  16 o 254.1033 71.40270 1.491427       1.392424  2.002153       1.914231  0.9175318      2.029163  270.8285 102.2229 237.3782 99.71891 33.45029       142.8054 
1 1 1 12  3  17 o 196.0829 62.84602 -0.2749735     1.346308  -0.2672720     1.926051  -0.2823316     1.882626  197.2207 89.38825 194.9450 88.36420 2.275696       125.6920 
1 1 1 12  3  18 o 204.7819 64.00780 -0.5689411     1.367523  -2.269568      1.778838  1.888569       2.138354  151.3441 73.53041 258.2198 104.7916 -106.8757      128.0156 
1 1 1 12  3  19 o 311.9457 75.40488 3.538817       1.471290  4.370396       2.055574  2.665269       2.106807  346.7987 106.6773 277.0927 106.5999 69.70599       150.8098 
1 1 1 12  4  0  o 786.7708 53.96119 16.12031       2.020574  16.55085       2.527046  15.35714       3.364482  803.8755 62.58602 769.6660 87.92174 34.20953       107.9224 
1 1 1 12  4  1  o 1000.943 46.27788 24.25280       2.205620  21.70926       2.657358  29.88543       3.954451  922.0408 57.20913 1079.846 72.75771 -157.8054      92.55576 
1 1 1 12  4  2  o 986.9111 50.36224 24.05638       2.240444  22.96737       2.613334  27.07661       4.352098  948.7410 54.63912 1025.081 84.61671 -76.34027      100.7245 
1 1 1 12  4  3  o 999.1193 39.22051 25.20572       1.963730  27.96696       2.988527  23.10761       2.605064  1046.731 56.60509 951.5073 54.30338 95.22406       78.44102 
1 1 1 12  4  4  o 940.0349 39.23354 22.65687       1.851756  20.76959       2.646797  24.46630       2.591632  900.9656 58.34009 979.1042 52.47397 -78.13867      78.46709 
1 1 1 12  4  5  o 1286.383 46.81623 42.02650       2.920456  41.13449       3.636684  43.64645       4.900872  1270.070 56.55801 1302.695 74.62056 -32.62439      93.63245 
1 1 1 12  4  6  o 1192.354 46.41373 35.80505       2.674679  34.24343       3.302008  38.78469       4.561125  1158.090 56.31863 1226.617 73.79125 -68.52698      92.82745 
1 1 1 12  4  7  o 984.5377 49.74164 25.57869       2.300812  23.43893       3.939038  26.68680       2.834637  948.6389 82.84856 1020.437 55.07303 -71.79779      99.48328 
1 1 1 12  4  8  o 803.6135 55.80569 17.96149       1.993598  14.12766       3.498691  19.80477       2.425966  729.0814 97.20831 878.1457 54.84201 -149.0643      111.6114 
1 1 1 12  4  9  o 381.8296 60.04406 3.933860       1.130649  3.634905       1.562404  4.262545       1.638249  366.2470 85.77097 397.4122 84.05055 -31.16519      120.0881 
1 1 1 12  4  10 o 648.9462 47.94353 10.98740       1.545871  12.31500       2.257772  9.815761       2.121013  686.7119 65.74500 611.1804 69.79918 75.53149       95.88707 
1 1 1 12  4  11 o 750.3376 55.09112 15.85560       1.883369  12.29786       3.123760  17.88747       2.360692  671.0658 94.56752 829.6096 56.54300 -158.5438      110.1822 
1 1 1 12  4  12 o 320.5313 94.77888 2.872942       1.645475  2.872942       1.645475  0.000000       0.000000  320.5313 94.77888 ?        ?        ?              ?        
1 1 1 12  4  13 o 842.0389 50.01449 18.58251       1.992339  17.71392       2.422863  20.39633       3.501209  819.4943 58.78883 864.5837 80.93004 -45.08942      100.0290 
1 1 1 12  4  14 o 447.2819 86.13904 6.236966       2.004669  6.687191       2.885530  5.816935       2.787093  463.1874 121.5299 431.3763 122.1074 31.81113       172.2781 
1 1 1 12  4  15 o 486.1596 71.83208 7.230983       1.686537  6.328256       2.628163  7.862986       2.199042  448.3887 115.1691 523.9305 85.88057 -75.54175      143.6642 
1 1 1 12  4  16 o 249.8293 70.09692 1.485418       1.321498  1.435931       1.904504  1.531369       1.835184  249.0497 99.65498 250.6089 98.60627 -1.559235      140.1938 
1 1 1 12  4  17 o 264.7177 74.76277 1.833194       1.585998  0.5631646      2.316536  2.953740       2.175940  230.1071 101.5666 299.3283 109.7366 -69.22119      149.5255 
1 1 1 12  4  18 o 343.3361 79.77595 4.635893       1.782925  5.585579       2.082600  2.029811       3.449926  408.4152 101.2302 278.2570 123.3258 130.1582       159.5519 
1 1 1 12  4  19 o 235.5112 65.35850 1.380218       1.290419  -0.5387380     1.980006  2.797101       1.701378  186.7024 86.78591 284.3200 97.75038 -97.61758      130.7170 
1 1 1 12  5  0  o 862.8583 50.51615 18.38887       2.088166  16.82533       2.550556  21.56744       3.636609  810.4401 62.64930 915.2765 79.26279 -104.8364      101.0323 
1 1 1 12  5  1  o 984.2935 46.73169 23.87330       2.164152  22.32600       2.594212  27.41461       3.924639  935.2852 55.02950 1033.302 75.54572 -98.01642      93.46337 
1 1 1 12  5  2  o 1338.955 47.82607 43.99755       2.982266  41.35673       3.537156  50.49009       5.546161  1274.975 54.79855 1402.935 78.39930 -127.9606      95.65214 
1 1 1 12  5  3  o 1191.194 50.96748 36.82405       2.837229  37.66208       3.447603  35.06548       4.994211  1216.232 55.99089 1166.157 85.18072 50.07495       101.9350 
1 1 1 12  5  4  o 1591.670 49.02076 65.85886       3.727306  68.10461       4.626014  61.70285       6.293076  1634.800 55.89315 1548.540 80.54871 86.26074       98.04152 
1 1 1 12  5  5  o 1660.544 50.38763 72.75791       3.969779  77.22178       4.935182  64.57509       6.681886  1739.794 56.03016 1581.295 83.76320 158.4982       100.7753 
1 1 1 12  5  6  o 806.5203 40.90555 16.69657       1.658497  16.18248       2.308865  17.24461       2.383871  793.6367 57.86228 819.4039 57.83608 -25.76721      81.81110 
1 1 1 12  5  7  o 953.3956 48.81403 23.50124       2.219217  23.44922       3.781666  23.52856       2.740770  949.4521 79.40202 957.3391 56.80281 -7.886963      97.62807 
1 1 1 12  5  8  o 1602.215 40.12206 65.77318       3.254346  65.84789       4.579951  65.69698       4.625062  1603.240 56.42591 1601.189 57.05468 2.051270       80.24413 
1 1 1 12  5  9  o 982.2229 41.50092 24.97711       2.044686  22.57419       2.915270  27.30362       2.868543  934.3450 61.98124 1030.101 55.20535 -95.75568      83.00183 
1 1 1 12  5  10 o 843.4745 43.88855 18.57111       1.852537  17.36427       2.684639  19.66815       2.559598  815.8002 65.55430 871.1489 58.37340 -55.34863      87.77710 
1 1 1 12  5  11 o 851.5266 53.64999 19.62344       2.182791  17.91009       3.558707  20.65681       2.763732  814.2374 87.71355 888.8159 61.80306 -74.57855      107.3000 
1 1 1 12  5  12 o 270.4601 75.96498 1.469142       1.400488  1.718369       1.579040  0.5502985      3.031909  263.2073 93.88428 277.7129 119.4506 -14.50562      151.9300 
1 1 1 12  5  13 o 340.1068 68.60867 3.559889       1.405522  5.014111       1.743042  0.8565930      2.376508  422.2352 84.48935 257.9784 108.1210 164.2569       137.2173 
1 1 1 12  5  14 o 359.3135 71.78407 3.968786       1.646667  0.3589819      2.624857  6.311337       2.114503  251.5086 109.6425 467.1183 92.68399 -215.6098      143.5681 
1 1 1 12  5  15 o 791.5874 53.48465 16.47495       2.025050  14.35624       2.467948  20.84116       3.542842  724.1325 68.11913 859.0423 82.47553 -134.9098      106.9693 
1 1 1 12  5  16 o 427.0868 86.20792 5.964977       1.859244  5.301436       2.251406  7.387842       3.296874  403.9429 108.0031 450.2307 134.3970 -46.28778      172.4158 
1 1 1 12  5  17 o 426.4754 108.1815 6.170813       2.339368  0.000000       0.000000  6.170813       2.339368  ?        ?        426.4754 108.1815 ?              ?        
1 1 1 12  5  18 o 225.9802 73.27983 0.1235904      1.669395  -0.1922938     1.938367  1.030786       3.284903  195.5894 89.04477 256.3709 116.4077 -60.78151      146.5597 
1 1 1 12  5  19 o 256.5343 71.14722 2.097858       1.445729  3.173154       1.916828  0.6790610      2.201807  294.7711 103.6172 218.2974 97.52532 76.47374       142.2944 
1 1 1 12  6  0  o 1015.621 47.65339 27.21916       2.234804  28.65723       2.716906  24.21055       3.929769  1061.752 50.54377 969.4898 80.80043 92.26263       95.30678 
1 1 1 12  6  1  o 594.1572 60.27503 8.610723       1.594559  7.867640       1.858366  10.68489       3.104812  551.2368 68.03358 637.0776 99.51757 -85.84076      120.5501 
1 1 1 12  6  2  o 2282.916 52.55302 128.2795       5.760917  118.5044       6.991370  148.9547       10.16780  2155.495 64.06660 2410.337 83.32318 -254.8418      105.1060 
1 1 1 12  6  3  o 2551.692 66.84689 166.3462       8.635611  166.3462       8.635611  0.000000       0.000000  2551.692 66.84689 ?        ?        ?              ?        
1 1 1 12  6  4  o 1981.035 61.13708 100.2224       6.131695  100.2224       6.131695  0.000000       0.000000  1981.035 61.13708 ?        ?        ?              ?        
1 1 1 12  6  5  o 889.2524 38.63633 20.26278       1.724546  22.52333       2.468190  18.10652       2.410583  938.3705 52.16005 840.1343 57.01221 98.23615       77.27265 
1 1 1 12  6  6  o 950.8067 50.13074 22.75655       2.189380  24.88733       4.087152  21.89909       2.592747  977.6157 83.37583 923.9977 55.68515 53.61804       100.2615 
1 1 1 12  6  7  o 1470.693 40.34416 55.39550       3.001389  55.78627       4.168929  54.97500       4.324559  1476.449 55.77277 1464.936 58.30955 11.51392       80.68832 
1 1 1 12  6  8  o 341.7648 66.45148 3.093016       1.186837  2.533424       1.581409  3.814662       1.795850  309.1537 93.26163 374.3759 94.68616 -65.22217      132.9030 
1 1 1 12  6  9  o 557.6857 50.30957 8.062739       1.332393  11.35135       2.020507  5.532299       1.772361  661.0064 61.06724 454.3651 79.96877 206.6414       100.6191 
1 1 1 12  6  10 o 715.8914 54.31323 13.51463       1.879476  13.88887       3.058716  13.28762       2.382269  720.0486 85.58217 711.7340 66.89845 8.314636       108.6265 
1 1 1 12  6  11 f 834.9832 53.93037 18.68564       2.154332  18.27988       3.576085  18.91679       2.699078  821.1873 87.35791 848.7791 63.26559 -27.59174      107.8607 
1 1 1 12  6  12 o 577.1553 53.59731 8.994608       1.517490  8.690592       2.017594  9.390602       2.302659  567.7603 71.79630 586.5502 79.59885 -18.78986      107.1946 
1 1 1 12  6  13 o 512.3753 109.1585 7.789523       2.744895  7.789523       2.744895  0.000000       0.000000  512.3753 109.1585 ?        ?        ?              ?        
1 1 1 12  6  14 o 639.1636 70.15219 13.04290       1.934394  8.597545       3.258853  15.46125       2.403649  519.9994 125.2725 758.3278 63.18314 -238.3284      140.3044 
1 1 1 12  6  15 o 179.3413 57.66522 -0.9239326     1.213272  0.2789618      1.598458  -2.558867      1.863536  201.8969 86.78329 156.7857 75.95901 45.11122       115.3304 
1 1 1 12  6  16 o 284.0886 67.91181 2.309656       1.364354  4.005133       1.796616  -0.1605260E-03 2.096999  355.7608 97.05596 212.4163 95.01682 143.3445       135.8236 
1 1 1 12  6  17 f 262.7449 72.06306 1.824970       1.614155  3.452038       1.968086  -1.518693      2.821320  318.0785 105.1179 207.4113 98.60311 110.6672       144.1261 
1 1 1 12  6  18 o 221.1775 68.43030 0.6168616      1.417406  0.4151037E-01  1.797375  1.563148       2.305067  194.3246 87.36778 248.0303 105.3456 -53.70572      136.8606 
1 1 1 12  6  19 o 341.8469 84.92032 5.136849       1.892180  4.188145       3.130284  5.683086       2.375250  304.9518 125.6176 378.7419 114.3069 -73.79001      169.8406 
1 1 1 12  7  0  o 1570.389 38.75973 62.77273       3.081070  62.80540       4.319340  62.73888       4.396261  1570.885 54.31121 1569.894 55.31328 0.9902344      77.51946 
1 1 1 12  7  1  o 1582.120 47.53059 62.54982       3.575432  67.88526       6.355215  60.07902       4.324785  1628.258 77.09452 1535.983 55.61533 92.27478       95.06119 
1 1 1 12  7  2  o 298.3321 72.82932 1.842967       1.255444  2.973885       2.295323  1.360217       1.499646  344.7560 113.5012 251.9082 91.29031 92.84785       145.6586 
1 1 1 12  7  3  o 331.5097 68.25631 2.918712       1.229685  2.318138       1.825140  3.417962       1.664072  305.7725 101.2370 357.2469 91.57928 -51.47443      136.5126 
1 1 1 12  7  4  o 216.8541 67.39457 -0.3128092     1.189393  -0.4328198     1.344322  0.1196842      2.552016  173.9145 77.03684 259.7937 110.6049 -85.87920      134.7891 
1 1 1 12  7  5  o 1221.572 57.39162 38.54176       3.500223  32.38570       4.800590  45.52905       5.114429  1115.757 85.63814 1327.387 76.42842 -211.6295      114.7832 
1 1 1 12  7  6  o 1013.497 50.27991 25.43107       2.347387  29.43556       4.423248  23.86110       2.769568  1063.042 82.84187 963.9518 57.00439 99.08972       100.5598 
1 1 1 12  7  7  o 405.2265 61.60860 4.428772       1.222463  4.424962       1.655504  4.433341       1.812835  405.7935 83.37132 404.6595 90.72874 1.134033       123.2172 
1 1 1 12  7  8  o 408.5406 62.36864 4.484641       1.247087  4.098035       1.669391  4.972818       1.875913  388.7033 87.00143 428.3778 89.38758 -39.67444      124.7373 
1 1 1 12  7  9  o 493.4243 58.28291 6.964566       1.331599  4.022684       1.948173  9.544114       1.824260  381.5505 99.73686 605.2980 60.33366 -223.7476      116.5658 
1 1 1 12  7  10 o 855.4108 45.70633 19.37634       1.938385  16.79717       2.828439  21.66045       2.661732  798.0534 70.73845 912.7681 57.89944 -114.7147      91.41266 
1 1 1 12  7  11 o 266.2607 69.82617 1.546273       1.277172  2.304308       1.850976  0.8574036      1.764512  296.2001 101.9503 236.3212 95.44061 59.87894       139.6523 
1 1 1 12  7  12 o 227.3741 65.88686 -0.9675419E-02 1.381540  -2.267647      2.016424  1.988031       1.896656  173.5784 82.75471 281.1698 102.5474 -107.5914      131.7737 
1 1 1 12  7  13 o 480.2241 70.69708 6.267283       1.563935  5.403422       1.870070  8.277148       2.852458  435.0004 87.93868 525.4478 110.7208 -90.44733      141.3942 
1 1 1 12  7  14 o 553.2534 70.08690 9.251079       1.827458  7.997932       2.894407  10.08177       2.356560  506.8236 115.3897 599.6832 79.58580 -92.85953      140.1738 
1 1 1 12  7  15 o 269.1808 68.67603 1.922428       1.258527  2.918525       1.768141  0.8995572      1.791746  309.4998 99.46035 228.8619 94.72711 80.63782       137.3521 
1 1 1 12  7  16 o 270.4263 73.19820 2.131334       1.418860  2.612978       1.950619  1.590171       2.067632  288.0479 104.1573 252.8048 102.8745 35.24303       146.3964 
1 1 1 12  7  17 o 332.0384 68.64281 3.568911       1.349083  1.744666       1.854043  5.621627       1.966721  248.3454 98.66669 415.7314 95.45797 -167.3861      137.2856 
1 1 1 12  7  18 o 303.1539 80.74317 2.872246       1.521174  5.269843       2.983634  2.030126       1.768253  352.3173 128.5998 253.9905 97.67260 98.32677       161.4863 
1 1 1 12  7  19 o 265.2845 99.31075 2.562512       1.799116  2.562512       1.799116  0.000000       0.000000  265.2845 99.31075 ?        ?        ?              ?        
1 1 1 12  8  0  o 2161.437 63.95127 120.2655       6.994914  122.3218       10.07326  118.3506       9.720755  2178.909 91.31611 2143.964 89.55684 34.94482       127.9025 
1 1 1 12  8  1  o 2435.681 66.38585 153.1539       8.147889  173.0694       11.70122  134.4079       11.35241  2591.721 89.17828 2279.641 98.36441 312.0803       132.7717 
1 1 1 12  8  2  o 1091.353 56.75075 30.78247       3.091924  30.72628       4.647942  30.82708       4.141098  1089.123 84.96684 1093.582 75.25443 -4.459351      113.5015 
1 1 1 12  8  3  o 875.5166 61.95205 19.81016       2.692223  22.95870       4.006619  17.21834       3.635182  939.6703 85.14542 811.3629 90.01379 128.3075       123.9041 
1 1 1 12  8  4  o 628.7108 63.98390 10.22852       2.008215  0.000000       0.000000  10.22852       2.008215  ?        ?        628.7108 63.98390 ?              ?        
1 1 1 12  8  5  o 658.7374 63.38634 11.56633       2.036070  12.59962       2.786344  10.38241       2.982534  693.6151 80.86537 623.8598 97.63251 69.75525       126.7727 
1 1 1 12  8  6  o 1060.047 52.15794 30.53121       2.564530  33.53181       3.181861  24.96818       4.332439  1144.612 54.90845 975.4824 88.69534 169.1300       104.3159 
1 1 1 12  8  7  o 1660.752 41.33975 70.80212       3.475330  71.05340       4.960032  70.55979       4.870898  1663.474 58.89587 1658.030 58.02738 5.444092       82.67950 
1 1 1 12  8  8  o 1895.778 43.80387 92.68604       4.201353  88.30907       5.910021  97.15785       5.973712  1849.870 63.10506 1941.685 60.76896 -91.81555      87.60773 
1 1 1 12  8  9  f 727.7817 41.84994 13.83791       1.520696  12.63365       2.184826  14.96953       2.117913  695.5516 62.71925 760.0120 55.42531 -64.46039      83.69988 
1 1 1 12  8  10 o 575.3318 53.49944 8.860323       1.516717  8.108176       2.099546  9.681259       2.193457  548.5948 77.77214 602.0687 73.48641 -53.47388      106.9989 
1 1 1 12  8  11 o 392.8144 65.07500 4.388856       1.271088  4.090950       1.860147  4.649806       1.740949  378.3088 96.74123 407.3200 87.06408 -29.01123      130.1500 
1 1 1 12  8  12 o 706.6257 64.39753 14.01598       2.247437  13.60206       3.212297  14.41286       3.145469  694.2645 93.79266 718.9869 88.26723 -24.72247      128.7951 
1 1 1 12  8  13 o 382.8424 74.57365 4.620658       1.529739  3.204122       2.516220  5.451181       1.926685  331.5311 118.4867 434.1537 90.58602 -102.6226      149.1473 
1 1 1 12  8  14 o 389.3834 67.54950 4.628527       1.339307  5.479835       1.819244  3.621189       1.978951  434.9206 85.67020 343.8463 104.4622 91.07428       135.0990 
1 1 1 12  8  15 f 707.8574 47.34050 13.91502       1.673145  14.60785       2.350724  13.20364       2.381955  728.0856 64.43833 687.6292 69.36999 40.45642       94.68101 
1 1 1 12  8  16 o 635.4246 53.41204 11.78600       1.684177  11.99796       2.414852  11.58526       2.350042  640.5855 75.93981 630.2637 75.13009 10.32184       106.8241 
1 1 1 12  8  17 o 392.7854 73.35283 5.337601       1.507447  4.242388       2.114151  6.470278       2.150006  344.0574 108.5678 441.5134 98.66908 -97.45602      146.7057 
1 1 1 12  8  18 o 273.7952 80.29634 2.520012       1.723851  2.987650       3.188307  2.326833       2.049206  284.0696 122.3388 263.5207 104.0347 20.54889       160.5927 
1 1 1 12  9  0  o 1861.267 60.43077 89.30225       5.688930  89.19791       8.223961  89.39801       7.877915  1859.474 87.35895 1863.059 83.52201 -3.585815      120.8615 
1 1 1 12  9  1  o 1385.054 57.21863 49.70277       3.973372  47.86961       5.860576  51.26223       5.405380  1359.638 85.57658 1410.470 75.97720 -50.83191      114.4373 
1 1 1 12  9  2  o 1555.793 48.71983 60.08484       3.612663  68.01524       6.443782  56.44947       4.362816  1625.257 78.31322 1486.329 57.97868 138.9281       97.43967 
1 1 1 12  9  3  o 366.9740 97.16790 3.631643       1.833736  0.000000       0.000000  3.631643       1.833736  ?        ?        366.9740 97.16790 ?              ?        
1 1 1 12  9  4  o 1217.555 54.44795 37.89904       3.356247  0.000000       0.000000  37.89904       3.356247  ?        ?        1217.555 54.44795 ?              ?        
1 1 1 12  9  5  o 627.1055 60.32938 9.782545       1.730677  12.04258       3.219337  8.863904       2.052492  671.9089 97.48563 582.3019 71.09912 89.60699       120.6588 
1 1 1 12  9  6  o 668.0288 57.50856 11.56422       1.815021  11.14023       2.236132  12.38296       3.107359  653.8318 68.57439 682.2258 92.33900 -28.39392      115.0171 
1 1 1 12  9  7  o 565.4594 65.24638 8.573120       1.744544  8.499132       2.201050  8.698136       2.861095  566.3934 78.90166 564.5253 103.9370 1.868164       130.4928 
1 1 1 12  9  8  o 1680.651 41.68515 72.87913       3.546842  72.87595       5.020771  72.88229       5.011226  1680.583 59.01016 1680.719 58.89320 -0.1362305     83.37031 
1 1 1 12  9  9  o 1049.202 40.09344 28.60248       2.118729  26.67605       3.028054  30.45024       2.965595  1012.593 59.32592 1085.810 53.94786 -73.21729      80.18688 
1 1 1 12  9  10 o 578.4853 51.89544 8.841146       1.458493  11.28360       2.206302  6.945340       1.943788  651.5757 67.87966 505.3948 78.51687 146.1809       103.7909 
1 1 1 12  9  11 o 558.2893 66.94002 9.199764       1.749194  11.07466       2.318297  6.721569       2.665313  640.2403 72.81786 476.3384 112.3451 163.9019       133.8800 
1 1 1 12  9  12 o 906.1637 41.78499 21.43713       1.890119  18.31630       2.508287  25.53772       2.875181  830.0748 60.09307 982.2526 58.07550 -152.1778      83.56998 
1 1 1 12  9  13 o 291.7369 96.79445 2.440852       1.668148  0.000000       0.000000  2.440852       1.668148  ?        ?        291.7369 96.79445 ?              ?        
1 1 1 12  9  14 o 230.0739 69.51262 0.7003540      1.344867  0.9566240      1.571778  0.8344177E-06  2.598369  223.3282 90.11812 236.8196 105.8619 -13.49147      139.0252 
1 1 1 12  9  15 f 226.8567 65.95712 0.7675788      1.243345  -0.1246958     1.642726  1.964284       1.902433  188.9569 84.34081 264.7565 101.4298 -75.79958      131.9142 
1 1 1 12  9  16 o 412.6502 71.34781 5.791305       1.512655  7.077444       2.086101  4.365294       2.196609  474.8208 90.07601 350.4796 110.6723 124.3412       142.6956 
1 1 1 12  9  17 o 338.4998 66.00906 4.108045       1.417236  1.076964       2.214841  6.209588       1.844221  232.3100 101.0008 444.6895 85.01548 -212.3795      132.0181 
1 1 1 12  9  18 f 336.8293 75.93437 4.323013       1.461981  4.455150       1.999676  4.171277       2.142847  345.9140 104.9894 327.7445 109.7330 18.16946       151.8687 
1 1 1 12  10 0  o 263.2740 62.71904 1.597197       1.008796  1.009246       1.365083  2.304636       1.497383  229.1183 86.36146 297.4298 90.97477 -68.31149      125.4381 
1 1 1 12  10 1  o 1195.440 47.25665 36.80201       2.746876  36.49358       4.520186  36.98259       3.458785  1188.092 75.54134 1202.789 56.80027 -14.69775      94.51330 
1 1 1 12  10 2  o 1357.964 48.15998 47.61063       3.132987  46.95433       5.324360  47.95823       3.874814  1346.419 78.44936 1369.510 55.88588 -23.09119      96.31995 
1 1 1 12  10 3  o 1628.542 57.12964 68.19041       4.673064  58.91950       6.326579  79.32153       6.932299  1505.422 83.33391 1751.661 78.17060 -246.2397      114.2593 
1 1 1 12  10 4  o 583.8662 54.04639 9.296489       1.482974  6.616223       2.171667  11.63842       2.029980  496.8442 89.63332 670.8882 60.41454 -174.0440      108.0928 
1 1 1 12  10 5  o 1373.891 49.15713 48.60300       3.213046  49.37568       5.576502  48.21901       3.931170  1376.515 80.36906 1371.267 56.62604 5.248413       98.31426 
1 1 1 12  10 6  o 1251.814 49.97206 41.54906       2.913163  38.17131       5.102532  43.18248       3.548300  1206.102 84.08997 1297.526 54.01578 -91.42444      99.94412 
1 1 1 12  10 7  o 1558.858 51.67698 62.35501       3.809279  60.59093       4.610754  66.14816       6.761027  1532.890 59.41243 1584.826 84.57070 -51.93555      103.3540 
1 1 1 12  10 8  o 892.3817 41.77332 20.70244       1.876071  21.03411       2.636542  20.36228       2.670107  900.0044 58.17504 884.7589 59.96420 15.24548       83.54664 
1 1 1 12  10 9  o 1212.480 40.37298 38.18652       2.476314  36.20474       3.476028  40.22874       3.528637  1179.941 58.18878 1245.018 55.98193 -65.07642      80.74596 
1 1 1 12  10 10 o 631.3914 51.27658 10.73660       1.600723  11.96901       2.287584  9.554216       2.240674  669.2895 68.47600 593.4932 76.34258 75.79633       102.5532 
1 1 1 12  10 11 o 787.5431 49.79883 16.68371       1.916142  16.54564       2.456882  16.89810       3.061448  788.6952 62.03123 786.3909 77.92188 2.304260       99.59766 
1 1 1 12  10 12 o 768.9551 57.23020 16.53205       2.103580  16.04141       3.438662  16.82546       2.659204  749.2370 92.62680 788.6732 67.24178 -39.43616      114.4604 
1 1 1 12  10 13 o 522.6766 65.03944 8.098498       1.615897  7.389127       2.532189  8.585824       2.098789  492.4480 104.7860 552.9051 77.07404 -60.45706      130.0789 
1 1 1 12  10 14 o 246.4214 66.23998 1.226713       1.396166  2.791576       1.634193  -3.002204      2.686457  302.7310 95.44387 190.1117 91.87713 112.6193       132.4800 
1 1 1 12  10 15 o 511.2225 60.62714 7.874537       1.505896  7.578419       2.017801  8.246816       2.262454  503.7679 81.93159 518.6770 89.38577 -14.90906      121.2543 
1 1 1 12  10 16 o 222.5153 67.47258 0.8634949      1.341258  0.4362115      1.744603  1.481068       2.097406  202.7263 88.85359 242.3043 101.5640 -39.57806      134.9452 
1 1 1 12  10 17 o 380.6516 69.94847 4.890308       1.342881  5.759643       2.115710  4.303792       1.737810  404.9734 102.9636 356.3298 94.70820 48.64368       139.8969 
1 1 1 12  10 18 f 374.2999 65.15925 5.373558       1.405212  2.414309       2.150043  7.580224       1.856627  257.9049 104.9221 490.6949 77.29330 -232.7900      130.3185 
1 1 1 12  11 0  o 1202.210 53.16314 36.93998       3.235746  0.000000       0.000000  36.93998       3.235746  ?        ?        1202.210 53.16314 ?              ?        
1 1 1 12  11 1  o 904.5580 46.11608 20.85838       2.054931  22.44181       3.299788  19.85530       2.626366  930.8756 70.54237 878.2405 59.41840 52.63513       92.23216 
1 1 1 12  11 2  o 555.1505 57.88896 7.824466       1.529464  9.486845       2.577595  6.921103       1.900118  597.9255 87.76169 512.3754 75.51432 85.55017       115.7779 
1 1 1 12  11 3  o 1887.366 42.84685 91.43073       4.090121  86.02122       5.723783  97.07523       5.846787  1829.811 61.78645 1944.921 59.37882 -115.1101      85.69370 
1 1 1 12  11 4  o 626.0756 47.73083 10.30826       1.468197  9.566868       2.208089  10.89581       1.965677  603.7433 73.77524 648.4078 60.58171 -44.66449      95.46166 
1 1 1 12  11 5  o 1016.284 39.77816 26.61242       2.036924  27.92414       2.888362  25.31464       2.872989  1041.674 54.96373 990.8942 57.51692 50.77991       79.55632 
1 1 1 12  11 6  o 1348.123 55.93213 47.66584       3.793366  47.60250       5.531930  47.72205       5.211645  1345.792 81.57757 1350.454 76.54224 -4.662109      111.8643 
1 1 1 12  11 7  o 1786.592 42.33915 82.60107       3.829271  81.23204       5.404200  83.98151       5.426685  1771.476 60.25768 1801.708 59.49309 -30.23206      84.67831 
1 1 1 12  11 8  o 845.2100 56.83594 20.09161       2.133709  21.67036       2.576801  16.64793       3.805705  912.7695 56.03268 777.6505 98.90214 135.1190       113.6719 
1 1 1 12  11 9  o 880.2245 42.06581 20.32635       1.860492  20.63286       2.717792  20.05603       2.552269  885.6910 60.98246 874.7579 57.95920 10.93317       84.13161 
1 1 1 12  11 10 o 667.3007 55.74333 11.99668       1.808446  11.29713       2.308908  13.10697       2.908823  646.4250 71.76240 688.1762 85.31960 -41.75116      111.4867 
1 1 1 12  11 11 o 660.8227 48.89459 11.83947       1.610795  12.14288       2.321899  11.55796       2.236516  668.7626 69.59804 652.8828 68.69379 15.87976       97.78918 
1 1 1 12  11 12 o 702.2137 61.01966 14.74954       1.953957  10.53457       3.025786  17.76457       2.559098  592.6901 104.6658 811.7374 62.75883 -219.0473      122.0393 
1 1 1 12  11 13 f 526.8628 59.23560 8.028610       1.519723  8.178224       2.067292  7.852685       2.241715  536.1348 78.48744 517.5909 88.74203 18.54388       118.4712 
1 1 1 12  11 14 o 293.2751 71.45409 2.665864       1.352811  3.526605       1.802653  1.556119       2.046858  332.7737 99.38885 253.7765 102.6869 78.99719       142.9082 
1 1 1 12  11 15 o 226.7401 70.02405 0.8369952      1.410025  1.011165       1.634771  0.3309638      2.786503  218.3859 90.44421 235.0944 106.9267 -16.70857      140.0481 
1 1 1 12  11 16 o 337.1209 68.30420 3.967382       1.265935  3.026520       1.888739  4.734820       1.705810  293.2506 102.8679 380.9912 89.88909 -87.74054      136.6084 
1 1 1 12  11 17 o 235.3443 70.78757 1.469572       1.526918  -0.8123762     3.113756  2.192048       1.752038  215.2733 102.6890 255.4154 97.46017 -40.14203      141.5751 
1 1 1 12  11 18 o 380.2417 96.22574 7.699664       2.305983  7.018425       2.903440  8.863563       3.795080  378.9002 127.7273 381.5833 143.9559 -2.683105      192.4515 
1 1 1 12  12 0  o 1110.256 45.37070 31.92097       2.447369  31.19385       4.014908  32.35091       3.087259  1096.498 72.73717 1124.014 54.25225 -27.51550      90.74141 
1 1 1 12  12 1  o 1562.408 40.17774 62.60254       3.177780  63.24682       4.480572  61.95044       4.507669  1570.664 56.34644 1554.153 57.28946 16.51160       80.35548 
1 1 1 12  12 2  o 1173.642 39.23079 35.31792       2.330979  35.30452       3.286327  35.33150       3.306771  1173.462 55.31696 1173.822 55.64400 -0.3602295     78.46159 
1 1 1 12  12 3  o 508.8620 55.49611 6.819446       1.375309  5.855474       1.861076  7.979230       2.041364  467.8834 81.53099 549.8406 75.31249 -81.95728      110.9922 
1 1 1 12  12 4  o 1020.493 40.07929 26.85189       2.061840  26.71049       2.949381  26.98704       2.883500  1017.595 57.48480 1023.392 55.86498 -5.797119      80.15858 
1 1 1 12  12 5  o 203.2255 59.20810 0.2964440      1.015401  -0.4468061     1.512500  0.9062722      1.370035  183.6663 81.51757 222.7848 85.89110 -39.11850      118.4162 
1 1 1 12  12 6  o 634.5678 47.66216 10.70903       1.477643  8.627602       2.102540  12.74040       2.077099  569.6401 74.70654 699.4955 59.20858 -129.8553      95.32431 
1 1 1 12  12 7  f 550.6605 69.95482 8.458166       1.622325  8.307152       3.263160  8.507748       1.869777  534.3450 123.1512 566.9761 66.39636 -32.63116      139.9096 
1 1 1 12  12 8  o 746.2864 69.48361 15.33521       2.545556  13.80215       3.383597  17.33446       3.863957  703.7634 97.59281 788.8094 98.93196 -85.04608      138.9672 
1 1 1 12  12 9  f 1010.690 41.09974 26.88494       2.092250  26.78077       3.018542  26.98126       2.902637  1007.937 59.41623 1013.442 56.80198 -5.504822      82.19947 
1 1 1 12  12 10 o 298.8366 72.04284 2.261863       1.426942  3.893779       2.020571  0.6382256      2.015440  361.8864 104.4677 235.7868 99.23297 126.0996       144.0857 
1 1 1 12  12 11 o 436.9351 71.99567 5.650272       1.502936  6.012425       2.576841  5.463561       1.850235  438.6321 114.7291 435.2380 87.00998 3.394165       143.9913 
1 1 1 12  12 12 o 255.8698 66.28484 1.645067       1.147581  2.397097       1.672351  0.9758081      1.577637  286.9599 96.93630 224.7797 90.43269 62.18019       132.5697 
1 1 1 12  12 13 o 393.6898 86.90417 4.661361       1.607686  4.205669       1.774792  6.745125       3.795210  369.3843 94.51541 417.9953 145.8636 -48.61102      173.8083 
1 1 1 12  12 14 o 468.5104 72.53396 7.072061       1.651725  7.646948       2.583718  6.674735       2.147965  477.6494 109.2207 459.3714 95.47537 18.27802       145.0679 
1 1 1 12  12 15 o 249.2890 77.29208 1.376719       1.887273  1.965795       2.560343  0.6758242      2.792795  261.2811 111.0008 237.2969 107.5875 23.98424       154.5842 
1 1 1 12  12 16 o 231.2753 72.23645 1.065791       1.541056  0.9304858      1.826621  1.399923       2.870443  215.2804 92.65696 247.2703 110.8472 -31.98987      144.4729 
1 1 1 12  12 17 o 418.8780 77.28693 6.681575       1.651711  6.195915       2.234137  7.267004       2.452903  403.8197 107.4101 433.9362 111.1582 -30.11652      154.5739 
1 1 1 12  13 0  o 942.5370 38.38007 22.86985       1.821747  22.57773       2.626650  23.14061       2.528814  936.3240 55.66115 948.7501 52.85788 -12.42603      76.76014 
1 1 1 12  13 1  o 744.4104 42.41469 14.33127       1.582343  14.05726       2.168377  14.64340       2.314286  737.1431 58.58635 751.6777 61.34871 -14.53467      84.82938 
1 1 1 12  13 2  o 721.6287 44.20071 13.58741       1.585524  15.44814       2.243313  11.73013       2.241226  772.9042 57.74696 670.3531 66.93353 102.5511       88.40141 
1 1 1 12  13 3  o 1007.057 41.09464 26.16404       2.084327  24.75168       2.887232  27.70120       3.012099  978.4788 58.55255 1035.635 57.67736 -57.15619      82.18929 
1 1 1 12  13 4  o 1021.161 38.79317 26.95596       1.993825  27.47610       2.748708  26.37838       2.896479  1032.346 52.76834 1009.977 56.87832 22.36841       77.58635 
1 1 1 12  13 5  o 364.5079 65.49876 3.710580       1.212329  3.313632       1.811925  4.032315       1.631257  346.0291 98.63143 382.9867 86.21015 -36.95761      130.9975 
1 1 1 12  13 6  o 789.6724 41.68710 16.27913       1.650829  14.92358       2.305124  17.70637       2.365287  754.9922 60.82289 824.3525 57.02483 -69.36029      83.37419 
1 1 1 12  13 7  o 339.7690 80.22021 2.951540       1.422053  3.749202       3.019146  2.724125       1.612073  366.8601 129.9294 312.6780 94.12478 54.18210       160.4404 
1 1 1 12  13 8  o 461.3447 65.52928 5.921772       1.424341  6.485492       2.405064  5.617254       1.767672  472.4948 103.4127 450.1946 80.51185 22.30020       131.0586 
1 1 1 12  13 9  o 512.8057 82.17690 7.347994       2.061422  7.347994       2.061422  0.000000       0.000000  512.8057 82.17690 ?        ?        ?              ?        
1 1 1 12  13 10 o 313.9152 73.79464 3.056756       1.462595  0.4267288      2.993888  3.881192       1.676232  264.0493 116.0477 363.7812 91.18947 -99.73190      147.5893 
1 1 1 12  13 11 o 748.2079 58.86367 16.07209       2.017115  15.27927       3.514036  16.46169       2.463371  717.1284 99.46727 779.2875 62.97609 -62.15918      117.7273 
1 1 1 12  13 12 o 539.6484 65.73056 8.727024       1.668452  8.554977       2.724598  8.830249       2.110431  522.5254 106.6045 556.7715 76.92526 -34.24609      131.4611 
1 1 1 12  13 13 o 379.1017 76.21212 5.661436       1.729122  6.734216       1.925019  1.180703       3.934178  475.8176 82.92624 282.3857 127.8921 193.4319       152.4242 
1 1 1 12  13 14 o 234.5458 72.41617 0.7904157E-02  1.939243  2.761917       2.392751  -5.263879      3.310498  285.8126 112.5502 183.2791 91.15288 102.5335       144.8323 
1 1 1 12  13 15 o 186.2581 65.21006 -2.237098      1.331181  -2.825765      1.445940  1.036018       3.409544  122.7651 60.91903 249.7513 115.3182 -126.9862      130.4201 
1 1 1 12  13 16 o 210.4800 62.95836 0.9901346      1.165289  1.380301       1.649391  0.6013114      1.646549  222.8412 91.41752 198.1187 86.59016 24.72247       125.9167 
1 1 1 12  13 17 o 292.0554 75.12045 2.966290       1.351352  5.563043       2.502408  1.897269       1.605595  349.4611 118.5748 234.6497 92.26238 114.8114       150.2409 
1 1 1 12  14 0  o 1437.264 38.43018 53.10703       2.795775  52.78372       3.909252  53.44551       3.999955  1432.976 53.88540 1441.552 54.80764 -8.576172      76.86035 
1 1 1 12  14 1  o 624.5587 74.24368 10.49672       1.743557  10.39680       1.924773  10.95364       4.116079  631.6843 60.94237 617.4332 135.4050 14.25116       148.4874 
1 1 1 12  14 2  o 325.8544 63.29800 2.904579       1.103288  2.074419       1.578112  3.698259       1.543049  283.9836 94.14240 367.7253 84.63897 -83.74170      126.5960 
1 1 1 12  14 3  f 896.1025 42.32495 20.83242       1.904713  20.31112       2.594028  21.44229       2.805756  884.5281 58.25280 907.6770 61.41839 -23.14886      84.64991 
1 1 1 12  14 4  o 457.7415 73.99241 5.523982       1.477962  6.672616       3.061781  5.175025       1.687597  478.8622 124.9667 436.6208 79.26437 42.24142       147.9848 
1 1 1 12  14 5  o 1071.574 40.71965 29.96338       2.196419  28.75559       3.196512  31.04372       3.023145  1048.837 60.45450 1094.312 54.56751 -45.47510      81.43930 
1 1 1 12  14 6  o 662.8741 46.68505 11.67651       1.545824  11.56000       2.186072  11.79303       2.186178  659.3657 66.38988 666.3824 65.65334 -7.016724      93.37011 
1 1 1 12  14 7  o 167.0404 53.46135 -0.8595271     0.9562808 0.1473538      1.543226  -1.487148      1.218398  199.5138 85.50098 134.5670 64.20317 64.94682       106.9227 
1 1 1 12  14 8  o 231.8411 66.23510 0.8150585      1.135673  1.474965       2.003244  0.5025197      1.378621  262.2253 103.0716 201.4569 83.21411 60.76834       132.4702 
1 1 1 12  14 9  o 280.0933 73.86438 1.482413       1.387426  3.679414       2.432860  0.4235062      1.689005  347.2336 116.9198 212.9530 90.29697 134.2806       147.7288 
1 1 1 12  14 10 o 326.3950 125.3523 3.141281       2.910120  0.000000       0.000000  3.141281       2.910120  ?        ?        326.3950 125.3523 ?              ?        
1 1 1 12  14 11 o 329.9890 80.13902 3.687649       1.776380  4.687382       2.002748  -0.2951431E-05 3.846441  387.9332 100.9883 272.0449 124.4605 115.8882       160.2780 
1 1 1 12  14 12 o 709.6182 46.25403 14.01464       1.637959  14.00998       2.235725  14.02004       2.406543  712.0989 62.65244 707.1375 68.06184 4.961487       92.50806 
1 1 1 12  14 13 f 527.3629 60.18111 8.422339       1.544917  7.410920       2.088994  9.643314       2.295223  489.8002 87.45158 564.9255 82.69995 -75.12537      120.3622 
1 1 1 12  14 14 o 313.3066 69.75349 3.488227       1.290515  4.302108       1.739212  2.491145       1.925030  356.3802 94.75818 270.2331 102.3870 86.14706       139.5070 
1 1 1 12  14 15 o 220.3818 64.12296 1.182968       1.268762  -0.8524284     2.240305  2.144039       1.539432  188.1808 88.98958 252.5828 92.34649 -64.40201      128.2459 
1 1 1 12  14 16 o 228.5253 93.53413 1.628321       1.721704  1.628321       1.721704  0.000000       0.000000  228.5253 93.53413 ?        ?        ?              ?        
1 1 1 12  15 0  o 300.9570 60.66425 2.496814       0.9940014 3.085314       1.337452  1.770660       1.485661  335.7676 79.84552 266.1463 91.35262 69.62131       121.3285 
1 1 1 12  15 1  o 279.0500 63.80281 2.059660       1.042574  2.445849       1.379310  1.544942       1.592382  299.4396 86.27586 258.6605 94.01952 40.77911       127.6056 
1 1 1 12  15 2  o 508.3344 52.49796 6.950835       1.304463  7.608176       1.832860  6.276097       1.856955  534.9698 69.30183 481.6989 78.87584 53.27090       104.9959 
1 1 1 12  15 3  o 458.4629 61.44634 5.787712       1.365870  5.730418       1.827062  5.860299       2.056494  457.8137 81.83139 459.1120 91.68552 -1.298279      122.8927 
1 1 1 12  15 4  o 887.8089 39.40326 20.54564       1.759496  21.12935       2.572060  20.03222       2.412230  899.1663 56.79298 876.4515 54.63538 22.71484       78.80652 
1 1 1 12  15 5  o 584.2611 52.16036 9.312159       1.472916  8.764278       2.286761  9.700621       1.925540  564.7458 82.40751 603.7764 63.96731 -39.03058      104.3207 
1 1 1 12  15 6  o 415.3034 78.84888 4.404566       1.453344  6.858356       3.183999  3.758772       1.633433  468.2030 129.8074 362.4038 89.54675 105.7992       157.6978 
1 1 1 12  15 7  o 280.9240 77.02700 1.719782       1.298084  2.268577       3.030668  1.596483       1.436523  311.8516 125.3837 249.9964 89.50739 61.85521       154.0540 
1 1 1 12  15 8  o 427.9670 123.3521 5.886825       2.819072  5.886825       2.819072  0.000000       0.000000  427.9670 123.3521 ?        ?        ?              ?        
1 1 1 12  15 9  o 656.8884 112.6316 13.37141       3.610900  0.000000       0.000000  13.37141       3.610900  ?        ?        656.8884 112.6316 ?              ?        
1 1 1 12  15 10 o 279.8660 117.5068 1.692992       2.815300  0.000000       0.000000  1.692992       2.815300  ?        ?        279.8660 117.5068 ?              ?        
1 1 1 12  15 11 o 411.8502 78.62193 4.289203       1.509576  9.331624       3.196427  2.841697       1.712597  521.9099 122.9882 301.7904 97.97717 220.1195       157.2439 
1 1 1 12  15 12 o 333.6715 63.89971 3.572737       1.161759  4.754544       1.621623  2.326567       1.665195  394.5115 83.77903 272.8315 96.50786 121.6800       127.7994 
1 1 1 12  15 13 o 249.1115 67.24547 1.866687       1.235879  2.679514       1.684411  0.9188558      1.818924  281.1338 97.22704 217.0892 92.92316 64.04456       134.4909 
1 1 1 12  15 14 o 232.3785 64.14304 1.597131       1.120568  2.296989       1.593487  0.9124607      1.576100  259.0478 94.06865 205.7093 87.22618 53.33844       128.2861 
1 1 1 12  15 15 o 273.1970 74.75354 2.948161       1.530686  1.913087       2.669923  3.454938       1.868193  246.4134 108.8873 299.9806 102.4496 -53.56725      149.5071 
1 1 1 12  15 16 f 301.6316 77.44984 4.313602       1.674957  4.937763       1.986822  2.780241       3.114104  349.4007 104.3397 253.8626 114.4864 95.53810       154.8997 
1 1 1 12  16 0  o 327.1371 63.75761 2.970966       1.070730  2.933638       1.364143  3.030869       1.728075  325.0937 82.68961 329.1805 97.06986 -4.086761      127.5152 
1 1 1 12  16 1  o 603.2360 50.77621 9.750521       1.514636  9.636976       2.226017  9.848410       2.066864  598.3998 75.13378 608.0721 68.32136 -9.672302      101.5524 
1 1 1 12  16 2  o 153.8518 70.84987 -0.8567038     1.274711  0.000000       0.000000  -0.8567038     1.274711  ?        ?        153.8518 70.84987 ?              ?        
1 1 1 12  16 3  o 329.8915 64.92464 3.114205       1.148780  3.796614       1.570595  2.329100       1.684634  367.1229 86.00864 292.6601 97.27973 74.46277       129.8493 
1 1 1 12  16 4  o 474.7665 76.98958 7.203905       1.588612  5.362797       3.399939  7.718118       1.796814  414.5043 138.2191 535.0286 67.86055 -120.5243      153.9792 
1 1 1 12  16 5  o 248.3470 76.19933 0.2777586E-01  1.558400  -0.5819256     1.802123  1.835658       3.103209  192.9996 87.06046 303.6944 125.0833 -110.6948      152.3987 
1 1 1 12  16 6  o 288.7341 81.19492 1.478426       1.460662  1.003366       1.626600  3.456892       3.319489  230.6095 92.16090 346.8586 133.7043 -116.2491      162.3898 
1 1 1 12  16 7  o 436.1623 63.02706 5.534216       1.344576  5.100399       1.870735  5.997810       1.933872  416.7602 91.19692 455.5643 87.02162 -38.80411      126.0541 
1 1 1 12  16 8  o 518.2989 71.77896 7.930823       1.740951  8.959250       2.982190  7.399130       2.144266  532.4131 114.0716 504.1847 87.15820 28.22836       143.5579 
1 1 1 12  16 9  o 182.6215 80.36446 -0.3168740E-01 1.439860  0.000000       0.000000  -0.3168740E-01 1.439860  ?        ?        182.6215 80.36446 ?              ?        
1 1 1 12  16 10 o 281.3153 67.12601 2.416545       1.137652  2.138964       1.747073  2.620900       1.499026  270.1838 98.43884 292.4468 91.28747 -22.26294      134.2520 
1 1 1 12  16 11 o 424.7543 68.12065 5.830853       1.425359  5.325224       2.164920  6.217733       1.893717  398.3517 105.6273 451.1568 86.04974 -52.80505      136.2413 
1 1 1 12  16 12 o 216.6714 60.79400 0.7971692      1.135938  2.344992       1.559825  -0.9506571     1.657541  267.8977 93.51040 165.4450 77.71387 102.4527       121.5880 
1 1 1 12  16 13 o 261.8079 63.63805 2.225408       1.203904  3.715411       1.588553  0.2148316      1.845305  328.5034 91.90655 195.1124 88.04768 133.3911       127.2761 
1 1 1 12  16 14 o 483.9865 60.42152 7.688586       1.423453  8.464383       2.088840  7.015965       1.944984  508.8977 84.00729 459.0753 86.86666 49.82239       120.8430 
1 1 1 12  16 15 f 197.9730 58.31588 0.5050142      1.067987  2.241665       1.576118  -0.9692996     1.452203  247.8938 92.92262 148.0522 70.48653 99.84157       116.6318 
1 1 1 12  17 0  o 361.7625 57.80230 3.665604       1.012502  3.654862       1.289459  3.682879       1.635117  364.1990 72.48254 359.3260 90.05944 4.873047       115.6046 
1 1 1 12  17 1  o 901.8594 60.76375 22.31069       2.337530  22.58279       4.684884  22.22050       2.697264  885.8156 106.6058 917.9031 58.34503 -32.08746      121.5275 
1 1 1 12  17 2  o 599.0071 67.04869 9.342416       1.868709  13.31901       3.346623  7.540794       2.252594  681.5313 99.96343 516.4829 89.38356 165.0484       134.0974 
1 1 1 12  17 3  o 458.4378 75.74418 5.822648       1.696582  5.822648       1.696582  0.000000       0.000000  458.4378 75.74418 ?        ?        ?              ?        
1 1 1 12  17 4  o 627.3092 53.56832 10.17144       1.610362  14.18142       2.712098  7.987799       2.001357  717.6367 75.79459 536.9817 75.71947 180.6550       107.1366 
1 1 1 12  17 5  o 484.0858 58.24976 6.610826       1.370368  7.675162       2.023901  5.709795       1.862173  522.5826 78.96027 445.5889 85.65871 76.99377       116.4995 
1 1 1 12  17 6  o 668.8669 51.59675 12.31807       1.706827  11.59960       2.260602  13.27074       2.603109  648.5056 69.96163 689.2281 75.85690 -40.72253      103.1935 
1 1 1 12  17 7  o 454.8687 62.68288 6.215808       1.381589  7.244289       1.892487  5.042176       2.021626  505.0718 76.39757 404.6656 99.39811 100.4062       125.3658 
1 1 1 12  17 8  o 317.4435 71.66588 3.127273       1.270129  3.214315       2.123103  3.078758       1.585056  318.0605 109.2041 316.8265 92.83567 1.233978       143.3318 
1 1 1 12  17 9  o 426.0176 70.95195 5.906150       1.441330  5.359622       2.559855  6.159841       1.744062  392.5875 118.7062 459.4478 77.75319 -66.86032      141.9039 
1 1 1 12  17 10 o 442.7538 91.40500 7.659113       2.392616  4.517782       3.424891  10.65364       3.343903  340.0213 134.4133 545.4863 123.9054 -205.4649      182.8100 
1 1 1 12  17 11 o 329.1147 87.99619 2.749377       1.657723  1.445483       1.835026  8.535441       3.865561  234.9371 96.40748 423.2923 147.2376 -188.3552      175.9924 
1 1 1 12  17 12 o 188.7518 58.04574 0.2896292      1.076304  -0.6318490     1.509729  1.242002       1.534828  161.5196 75.31361 215.9840 88.34642 -54.46442      116.0915 
1 1 1 12  17 13 o 240.1297 65.74368 1.893165       1.195029  2.753632       1.652287  0.9493345      1.730475  273.1964 96.18716 207.0629 89.64906 66.13353       131.4874 
1 1 1 12  17 14 o 292.3091 65.64706 3.195326       1.158112  2.105410       1.658420  4.232715       1.617964  241.8259 94.14478 342.7922 91.51452 -100.9664      131.2941 
1 1 1 12  17 15 o 290.2175 69.61249 3.413804       1.237065  4.500659       1.866385  2.562195       1.652097  328.2607 101.7617 252.1742 95.01659 76.08655       139.2250 
1 1 1 12  18 0  o 366.0903 81.54556 2.038486       1.124466  1.410245       1.179221  8.336136       3.733543  233.3777 81.31420 498.8028 141.3744 -265.4251      163.0911 
1 1 1 12  18 1  o 208.5357 67.18223 0.2399324      1.014182  0.5360768      1.050161  -3.861169      3.908000  183.8134 73.84155 233.2581 112.2552 -49.44473      134.3645 
1 1 1 12  18 2  o 799.8282 41.80166 17.26468       1.660838  19.02223       2.277930  15.27008       2.426681  847.8243 53.34216 751.8323 64.37491 95.99200       83.60332 
1 1 1 12  18 3  o 929.9760 52.62319 24.34002       2.273634  22.40175       3.917243  25.32472       2.792067  885.3618 88.58156 974.5901 56.83404 -89.22839      105.2464 
1 1 1 12  18 4  o 212.4869 58.86287 0.6441138      1.021561  -0.6969699     1.504720  1.790717       1.391344  169.9977 77.79995 254.9760 88.35450 -84.97826      117.7257 
1 1 1 12  18 5  o 370.4269 66.88562 4.182809       1.255885  4.318420       1.684419  4.013057       1.884564  380.5689 89.01130 360.2850 99.85856 20.28384       133.7712 
1 1 1 12  18 6  f 223.1959 65.25261 0.6632509      1.157905  1.708755       1.972419  0.1134778      1.430303  260.0987 102.2629 186.2932 81.07971 73.80557       130.5052 
1 1 1 12  18 7  o 262.8711 56.52325 1.766759       1.114632  -1.499779      1.801929  3.791340       1.418605  168.0385 79.56715 357.7037 80.30304 -189.6652      113.0465 
1 1 1 12  18 8  o 340.8377 77.87298 4.241711       1.920273  6.156343       2.262548  -0.6896586     3.631105  434.5061 104.1984 247.1693 115.7562 187.3368       155.7460 
1 1 1 12  18 9  o 393.5491 60.46595 4.905113       1.185349  6.280315       1.650570  3.440558       1.703348  463.3412 72.76128 323.7570 96.59359 139.5841       120.9319 
1 1 1 12  18 10 o 271.8664 78.69572 1.669111       1.325844  4.780094       3.302288  1.071261       1.447645  331.8130 131.7264 211.9198 86.14077 119.8931       157.3914 
1 1 1 12  18 11 o 351.8519 84.35216 4.150525       1.580923  2.881772       1.802647  8.377331       3.290245  280.8128 100.2960 422.8910 135.6535 -142.0782      168.7043 
1 1 1 12  18 12 o 221.9684 63.99054 1.511313       1.133270  1.593442       1.634984  1.435367       1.572228  225.1500 91.53472 218.7867 89.44579 6.363297       127.9811 
1 1 1 12  18 13 o 511.7686 57.46474 8.623852       1.398131  11.11012       2.027990  6.371697       1.930148  601.0315 67.83445 422.5056 92.77538 178.5259       114.9295 
1 1 1 12  18 14 o 477.0653 66.59599 8.392873       1.550421  7.986681       2.143848  8.838258       2.244892  464.2162 94.43423 489.9144 93.92698 -25.69824      133.1920 
1 1 1 12  19 0  o 300.1730 78.98394 2.629298       1.525388  0.8963569      3.508488  3.033220       1.693858  282.8793 124.9202 317.4667 96.68916 -34.58740      157.9679 
1 1 1 12  19 1  o 278.8942 61.41131 2.190586       0.9250740 1.995947       1.142074  2.561909       1.577447  263.6718 79.19105 294.1165 93.88383 -30.44479      122.8226 
1 1 1 12  19 2  o 218.1410 67.88775 0.3795984      1.230912  -0.3115056     2.810053  0.5436920      1.369268  237.4852 107.7683 198.7968 82.58921 38.68834       135.7755 
1 1 1 12  19 3  o 736.6682 81.38626 17.27608       2.916087  17.27189       3.926688  17.28122       4.354327  746.4965 106.9565 726.8400 122.6997 19.65656       162.7725 
1 1 1 12  19 4  o 726.4644 45.44472 14.53584       1.652576  14.81671       2.398227  14.28190       2.280412  732.1514 65.38830 720.7775 63.12891 11.37390       90.88943 
1 1 1 12  19 5  o 235.5085 60.82594 1.161178       1.075738  2.650911       1.510771  -0.3709180     1.532101  293.9880 91.62405 177.0291 80.02633 116.9589       121.6519 
1 1 1 12  19 6  o 217.6414 60.90030 0.2170992      1.055591  2.624290       1.803347  -1.037595      1.301946  289.1585 100.5670 146.1243 68.71430 143.0343       121.8006 
1 1 1 12  19 7  o 119.7417 41.58569 -2.177624      0.8723139 -3.541271      1.468237  -1.433681      1.084463  117.9140 58.96367 121.5694 58.65801 -3.655441      83.17137 
1 1 1 12  19 8  o 225.5306 66.60789 1.083950       1.219264  1.362723       2.073567  0.9366285      1.507389  240.0037 100.8120 211.0575 87.08259 28.94620       133.2158 
1 1 1 12  19 9  o 178.9362 55.72178 0.7863645E-01  1.032328  -1.600358      1.844927  0.8439338      1.245574  162.2617 77.84223 195.6107 79.75119 -33.34895      111.4436 
1 1 1 12  19 10 o 237.9266 61.87408 1.711522       1.198649  -0.9233415     2.053887  3.072444       1.476094  178.7040 84.71348 297.1492 90.20662 -118.4452      123.7482 
1 1 1 12  19 11 o 388.6234 78.28059 4.981446       1.489728  10.02756       2.985537  3.308524       1.719024  484.2757 121.8681 292.9712 98.28305 191.3046       156.5612 
1 1 1 12  19 12 o 209.9217 68.64027 0.8999122      1.349119  1.057493       1.419056  -0.5816016     4.351120  198.5687 83.40201 221.2747 109.0415 -22.70598      137.2805 
1 1 1 12  19 13 o 196.3754 57.80603 0.9303822      1.003041  1.946106       1.441210  -0.2378970E-01 1.396859  229.7946 88.22367 162.9562 74.71767 66.83839       115.6121 
1 1 1 12  19 14 o 219.3102 64.89092 1.947777       1.208961  2.044016       1.691735  1.847332       1.728311  222.6050 92.08389 216.0153 91.45428 6.589722       129.7818 
1 1 1 12  20 0  o 242.6998 73.16572 1.111899       1.384329  -1.071686      3.576560  1.496671       1.501350  245.5693 114.9676 239.8303 90.52818 5.738998       146.3314 
1 1 1 12  20 1  o 227.7566 58.52253 1.366637       0.8438139 1.356138       1.038401  1.387048       1.447839  222.2011 76.36767 233.3121 88.69907 -11.11102      117.0451 
1 1 1 12  20 2  o 362.3925 79.49171 3.554212       1.371691  6.550732       3.036240  2.785792       1.537541  424.5275 129.4862 300.2574 92.24455 124.2701       158.9834 
1 1 1 12  20 3  o 336.4201 58.88614 3.299000       1.019054  2.207873       1.339666  4.797348       1.569876  270.4772 86.53820 402.3631 79.88396 -131.8859      117.7723 
1 1 1 12  20 4  o 266.5153 62.09175 1.859218       1.065550  0.5529550      1.416267  3.563153       1.617544  197.1781 83.09505 335.8526 92.28627 -138.6745      124.1835 
1 1 1 12  20 5  o 241.2793 94.46326 1.562727       1.676868  1.562727       1.676868  0.000000       0.000000  241.2793 94.46326 ?        ?        ?              ?        
1 1 1 12  20 6  o 246.3005 88.34379 1.824470       1.400016  0.000000       0.000000  1.824470       1.400016  ?        ?        246.3005 88.34379 ?              ?        
1 1 1 12  20 7  o 187.6648 56.87146 0.4035445      1.002656  -0.8254061     1.742197  1.012181       1.226052  172.0762 80.45848 203.2535 80.39830 -31.17737      113.7429 
1 1 1 12  20 8  o 326.7586 62.72446 3.383033       1.158695  5.739099       1.787568  1.675809       1.521648  419.7744 86.97223 233.7428 90.40611 186.0316       125.4489 
1 1 1 12  20 9  o 423.4844 60.96362 6.050901       1.261712  5.034057       1.805405  7.021615       1.763977  375.8739 94.86806 471.0950 76.59178 -95.22107      121.9272 
1 1 1 12  20 10 o 303.0780 68.25094 3.527675       1.303271  1.862103       1.823023  5.268704       1.863861  231.5046 95.66355 374.6515 97.37169 -143.1469      136.5019 
1 1 1 12  20 11 o 159.7842 55.16778 -1.243692      1.243833  -1.512596      2.548311  -1.159592      1.425127  178.3385 86.95028 141.2298 67.92338 37.10869       110.3356 
1 1 1 12  20 12 o 237.0873 78.62653 1.477519       1.701669  0.5483587      1.845134  6.765136       4.401619  189.2916 86.44801 284.8831 131.3593 -95.59143      157.2531 
1 1 1 12  20 13 o 233.5996 97.90806 2.509534       1.948892  0.000000       0.000000  2.509534       1.948892  ?        ?        233.5996 97.90806 ?              ?        
1 1 1 12  21 0  o 178.0882 52.48740 0.4271298      0.7999920 0.7986208      1.006898  -0.2088072     1.317403  188.8567 73.40318 167.3198 75.04455 21.53693       104.9748 
1 1 1 12  21 1  o 305.2341 58.51691 2.706577       0.9257635 1.980245       1.181768  3.860331       1.489434  256.2522 81.20379 354.2159 84.27848 -97.96371      117.0338 
1 1 1 12  21 2  o 318.2581 74.08024 2.643915       1.277899  5.736067       2.541120  1.597215       1.478448  398.1757 117.7944 238.3405 89.86665 159.8353       148.1605 
1 1 1 12  21 3  o 391.6598 72.80817 4.531164       1.390546  4.531164       1.390546  0.000000       0.000000  391.6598 72.80817 ?        ?        ?              ?        
1 1 1 12  21 4  o 615.8441 137.2530 14.96633       4.169980  14.96633       4.169980  0.000000       0.000000  615.8441 137.2530 ?        ?        ?              ?        
1 1 1 12  21 5  o 202.9462 99.16405 -2.925011      3.366573  0.000000       0.000000  -2.925011      3.366573  ?        ?        202.9462 99.16405 ?              ?        
1 1 1 12  21 6  o 275.1456 67.55244 2.071567       1.157716  4.482322       2.032677  0.9140592      1.408490  347.9526 105.9067 202.3385 83.88748 145.6141       135.1049 
1 1 1 12  21 7  o 288.8819 56.83875 2.467911       1.051185  5.088183       1.574507  0.3607769      1.411943  396.7202 81.12939 181.0436 79.62785 215.6767       113.6775 
1 1 1 12  21 8  o 232.5422 64.27991 1.780534       1.088313  2.425889       1.688579  1.321967       1.423389  254.4888 96.02022 210.5956 85.48537 43.89314       128.5598 
1 1 1 12  21 9  o 236.3720 63.54200 2.053712       1.050794  2.051599       1.485199  2.055831       1.486897  236.2905 89.83501 236.4535 89.88891 -0.1630402     127.0840 
1 1 1 12  21 10 o 154.6546 51.22075 -0.3977435     1.001986  -0.6980619     1.554911  -0.1844757     1.310320  154.5473 73.39223 154.7619 71.46916 -0.2145386     102.4415 
1 1 1 12  21 11 o 255.6194 64.32084 2.679815       1.108324  1.803789       1.655223  3.391809       1.492231  218.9597 90.87172 292.2791 91.05499 -73.31940      128.6417 
1 1 1 12  21 12 o 196.2122 59.77683 1.268358       1.084636  0.8533383      1.512740  1.707447       1.555988  182.8506 81.32214 209.5738 87.63440 -26.72325      119.5537 
1 1 1 12  22 0  o 240.9829 80.41501 -0.7862146     2.663458  1.772526       3.624376  -3.790425      3.927221  270.5676 122.6273 211.3981 104.0617 59.16945       160.8300 
1 1 1 12  22 1  o 218.0952 56.03519 1.377330       0.8027683 1.556914       1.028432  1.097271       1.284301  227.7029 76.02139 208.4875 82.34389 19.21544       112.0704 
1 1 1 12  22 2  o 194.9030 71.26797 1.035122       0.9169161 1.035122       0.9169161 0.000000       0.000000  194.9030 71.26797 ?        ?        ?              ?        
1 1 1 12  22 3  o 396.9897 71.31471 4.752245       1.380633  4.752245       1.380633  0.000000       0.000000  396.9897 71.31471 ?        ?        ?              ?        
1 1 1 12  22 4  o 219.9822 71.91347 -0.2095471     1.051623  -0.6677842     1.104193  4.262025       3.449294  137.0342 64.06745 302.9301 128.7694 -165.8960      143.8269 
1 1 1 12  22 5  o 343.1053 74.54112 5.487938       1.852237  7.089351       2.139942  0.7045196      3.698450  448.1229 97.12710 238.0876 113.1010 210.0353       149.0822 
1 1 1 12  22 6  o 198.7361 63.59527 0.6458511      1.270399  1.191070       1.349033  -3.626185      3.776196  204.2955 83.11114 193.1767 96.28069 11.11877       127.1905 
1 1 1 12  22 7  o 391.1335 76.73766 6.823369       1.532196  6.784288       3.456120  6.832929       1.709354  326.1970 132.9020 456.0701 76.75761 -129.8731      153.4753 
1 1 1 12  22 8  o 299.2322 66.40341 3.674739       1.162572  2.964972       1.802723  4.180102       1.521154  262.7256 99.19209 335.7390 88.30957 -73.01340      132.8068 
1 1 1 12  22 9  o 152.1063 49.10052 -0.1501076     0.8854619 -1.354094      1.459382  0.5513417      1.113926  137.2438 66.66170 166.9689 72.10869 -29.72505      98.20104 
1 1 1 12  22 10 o 215.6946 61.71458 1.741218       1.056843  2.312548       1.538130  1.230275       1.454572  235.5790 90.95631 195.8102 83.43686 39.76877       123.4292 
1 1 1 12  22 11 o 216.2790 56.69196 0.8005089      1.025001  4.129328       1.626575  -1.392023      1.320085  306.0708 95.01855 126.4873 61.86589 179.5835       113.3839 
1 1 1 12  23 0  o 323.3327 84.28757 3.482594       1.393861  3.482594       1.393861  0.000000       0.000000  323.3327 84.28757 ?        ?        ?              ?        
1 1 1 12  23 1  o 233.1891 77.35480 1.745056       1.065407  1.745056       1.065407  0.000000       0.000000  233.1891 77.35480 ?        ?        ?              ?        
1 1 1 12  23 2  f 123.4087 56.12538 -0.2470608     0.7675555 -0.2470608     0.7675555 0.000000       0.000000  123.4087 56.12538 ?        ?        ?              ?        
1 1 1 12  23 3  o 185.8776 65.22560 -3.350404      2.357660  -2.280106      3.138941  -4.735772      3.571195  190.3688 93.57802 181.3864 90.88824 8.982422       130.4512 
1 1 1 12  23 4  o 182.5233 77.94101 0.7073603      1.274168  0.000000       0.000000  0.7073603      1.274168  ?        ?        182.5233 77.94101 ?              ?        
1 1 1 12  23 5  o 183.0857 62.19402 0.2419954E-01  1.039157  0.7180697      3.357803  -0.4929470E-01 1.092805  217.7699 104.6156 148.4014 67.29014 69.36853       124.3880 
1 1 1 12  23 6  o 195.4400 67.31055 -0.1181191E-01 1.268872  -0.3619640     1.341285  2.970889       3.914693  151.0148 70.60626 239.8651 114.6194 -88.85030      134.6211 
1 1 1 12  23 7  o 179.0422 60.70938 -0.8629433E-01 1.358090  -0.5867054E-01 1.526828  -0.1909575     2.971976  163.6600 76.11987 194.4244 94.59536 -30.76439      121.4188 
1 1 1 12  23 8  o 108.3460 52.17762 -1.886221      0.7119259 -4.304153      1.310429  -0.8737335     0.8479815 ?        ?        108.3460 52.17762 ?              ?        
1 1 1 12  23 9  f 180.3138 59.41868 0.6023890      1.171420  -0.7220507     3.061669  0.8295223      1.267893  184.1349 90.87673 176.4928 76.57506 7.642136       118.8374 
1 1 1 12  23 10 o 156.5392 51.65797 0.5724934E-01  0.9748203 0.5063386      1.576079  -0.2209953     1.240581  169.9604 78.45090 143.1180 67.22827 26.84244       103.3159 
1 1 1 12  24 0  o 177.1670 51.96602 0.7320384      0.7433105 1.006903       1.217025  0.5685029      0.9387418 190.5016 78.38232 163.8324 68.25014 26.66914       103.9320 
1 1 1 12  24 1  o 256.7108 82.23753 2.376338       1.209529  2.376338       1.209529  0.000000       0.000000  256.7108 82.23753 ?        ?        ?              ?        
1 1 1 12  24 2  o 299.1076 60.91834 3.255637       0.9752837 2.635043       1.290396  4.082447       1.489437  265.8639 84.91821 332.3513 87.36746 -66.48746      121.8367 
1 1 1 12  24 3  o 269.4669 92.27106 2.959202       1.515456  0.000000       0.000000  2.959202       1.515456  ?        ?        269.4669 92.27106 ?              ?        
1 1 1 12  24 4  o 189.3760 60.59266 0.8325846      1.210713  -2.903367      3.506534  1.338243       1.290048  179.5201 89.96915 199.2319 81.18763 -19.71185      121.1853 
1 1 1 12  24 5  o 289.5238 75.65774 3.968724       1.337634  5.710768       3.071776  3.561092       1.485916  283.9522 121.1292 295.0953 90.68671 -11.14313      151.3155 
1 1 1 12  24 6  o 340.7826 80.14506 5.694614       1.450532  9.323327       3.864037  5.099377       1.564986  315.7163 135.2962 365.8489 85.95268 -50.13257      160.2901 
1 1 1 12  24 7  o 218.4511 72.41917 1.871606       1.592576  1.215204       1.738952  5.285559       3.965804  192.8992 86.38901 244.0031 116.2544 -51.10397      144.8383 
1 1 1 12  24 8  o 134.5143 48.53847 -2.201091      1.130123  -1.918537      1.207306  -4.201389      3.212282  111.7866 55.50425 157.2421 79.64428 -45.45559      97.07694 
1 1 1 12  24 9  o 176.4681 60.14167 0.6537081E-01  1.068635  3.692048       2.706580  -0.6044012     1.163135  223.7772 103.1207 129.1590 61.92088 94.61815       120.2833 
1 1 1 12  25 0  o 235.3612 54.57478 2.128958       0.7904539 1.515290       1.299003  2.489803       0.9961016 203.6530 82.01473 267.0693 72.02229 -63.41635      109.1496 
1 1 1 12  25 1  o 198.3683 65.87037 1.026704       1.198734  0.9529254      1.247647  1.912693       4.323562  181.0083 77.20557 215.7284 106.7470 -34.72002      131.7407 
1 1 1 12  25 2  o 119.0187 57.45807 -0.9599762     1.043961  0.000000       0.000000  -0.9599762     1.043961  ?        ?        119.0187 57.45807 ?              ?        
1 1 1 12  25 3  f 257.9050 75.45169 3.295948       1.364429  6.273270       3.665941  2.817193       1.470042  262.8705 120.7188 252.9395 90.54726 9.931000       150.9034 
1 1 1 12  25 4  f 207.5275 61.82528 1.856634       1.250993  -2.421127      3.646143  2.427391       1.331837  176.1625 88.73444 238.8925 86.11423 -62.73003      123.6506 
1 1 1 12  25 5  o 201.4506 55.46322 1.566979       0.8218606 1.769309       1.124252  1.334749       1.204463  211.9487 78.66995 190.9525 78.20303 20.99614       110.9264 
1 1 1 12  25 6  o 175.2856 57.29112 0.7953552      1.045795  -3.250188      4.132764  1.072131       1.080977  172.8916 87.84992 177.6796 73.56277 -4.788010      114.5822 
1 1 1 12  25 7  o 209.2021 56.38572 2.023561       1.090323  -1.532642      2.375530  2.972665       1.227225  154.1606 76.75880 264.2435 82.61648 -110.0828      112.7714 
1 1 1 12  25 8  o 196.6076 66.00946 1.837797       1.340155  1.311799       1.419426  6.156356       4.067151  178.6980 79.15745 214.5172 105.6555 -35.81923      132.0189 
1 1 1 12  26 0  o 250.5396 68.98063 2.241743       0.9026785 0.000000       0.000000  2.241743       0.9026785 ?        ?        250.5396 68.98063 ?              ?        
1 1 1 12  26 1  o 214.1986 55.82020 1.795956       0.9415032 3.011937       1.262642  0.2731736      1.412979  269.0063 83.75024 159.3909 73.82056 109.6154       111.6404 
1 1 1 12  26 2  o 212.1438 71.22264 0.7861927      1.159447  8.597121       3.673519  -0.7800425E-01 1.221905  280.0306 125.4752 144.2570 67.42875 135.7736       142.4453 
1 1 1 12  26 3  o 140.6614 43.40356 0.2051843      0.6490480 0.8315888      0.7974027 -1.024528      1.117254  162.2335 64.62719 119.0894 57.95517 43.14407       86.80711 
1 1 1 12  26 4  o 150.6087 45.81625 0.2501742      0.5826725 -0.2169060     0.6871225 1.445808       1.099354  110.8345 51.38376 190.3829 75.86979 -79.54836      91.63251 
1 1 1 12  26 5  o 215.8455 64.29023 2.577374       1.172467  3.101535       3.409686  2.507085       1.248608  199.2055 97.84219 232.4855 83.42567 -33.28001      128.5805 
1 1 1 12  26 6  o 144.5074 46.48877 0.2601772      0.7323707 0.9593381      1.157968  -0.2059461     0.9454930 164.9073 72.33080 124.1075 58.42155 40.79982       92.97754 
1 1 1 12  27 0  o 180.3195 65.80366 1.206635       0.7811415 0.000000       0.000000  1.206635       0.7811415 ?        ?        180.3195 65.80366 ?              ?        
1 1 1 12  27 1  o 176.5623 61.97522 0.3113841      0.9564832 6.599098       3.687249  -0.1422397     0.9903849 224.5378 108.2969 128.5868 60.29511 95.95105       123.9504 
1 1 1 12  27 2  o 168.5209 58.93710 0.4228675      1.138795  4.031853       3.758147  0.5798152E-01  1.194978  196.6651 97.69572 140.3768 65.95357 56.28831       117.8742 
1 1 1 12  27 3  o 117.7859 39.58125 -0.3238161     0.6174698 -0.4160733     0.7802311 -0.1691958     1.010081  108.6394 51.70684 126.9324 59.94250 -18.29298      79.16250 
1 1 1 12  27 4  o 149.1712 53.39310 -0.2011308     0.9521785 2.945667       3.664233  -0.4290090     0.9860524 179.8913 90.39753 118.4511 56.84697 61.44019       106.7862 
1 1 1 12  28 0  o 131.7920 55.88039 0.4917147      0.6372350 0.3796095      3.718276  0.4951070      0.6468045 ?        ?        131.7920 55.88039 ?              ?        
1 1 1 13  0  0  o 1706.833 59.28053 74.74583       7.204534  74.74583       7.204534  74.74583       7.204534  1706.833 83.83533 1706.833 83.83533 0.000000       0.000000 
1 1 1 13  0  1  o 99.46223 50.13713 -2.292639      1.579168  -2.292639      1.579168  -2.292639      1.579168  99.46223 70.90462 99.46223 70.90462 0.000000       0.000000 
1 1 1 13  0  2  o 201.8583 87.90961 0.8370182      2.476116  0.8370182      2.476116  0.8370182      2.476116  201.8583 124.3230 201.8583 124.3230 0.000000       0.000000 
1 1 1 13  0  3  o 2411.423 48.48787 148.3606       8.356224  148.3606       8.356224  148.3606       8.356224  2411.423 68.57220 2411.423 68.57220 0.000000       0.000000 
1 1 1 13  0  4  o 967.5739 40.18527 24.04346       2.761891  24.04346       2.761891  24.04346       2.761891  967.5739 56.83056 967.5739 56.83056 0.000000       0.000000 
1 1 1 13  0  5  o 2361.912 47.78076 142.5460       8.065113  142.5460       8.065113  142.5460       8.065113  2361.912 67.57220 2361.912 67.57220 0.000000       0.000000 
1 1 1 13  0  6  o 2561.108 71.55843 169.7589       13.07508  169.7589       13.07508  169.7589       13.07508  2561.108 101.1989 2561.108 101.1989 0.000000       0.000000 
1 1 1 13  0  7  o 2397.660 69.09871 148.9752       11.81717  148.9752       11.81717  148.9752       11.81717  2397.660 97.72034 2397.660 97.72034 0.000000       0.000000 
1 1 1 13  0  8  o 159.9243 75.59648 -0.7332398     2.385978  -0.7332398     2.385978  -0.7332398     2.385978  159.9243 106.9096 159.9243 106.9096 0.000000       0.000000 
1 1 1 13  0  9  o 239.4691 97.42600 2.017764       2.675462  2.017764       2.675462  2.017764       2.675462  239.4691 137.7812 239.4691 137.7812 0.000000       0.000000 
1 1 1 13  0  10 o 956.6873 42.93519 23.77459       2.913752  23.77459       2.913752  23.77459       2.913752  956.6873 60.71953 956.6873 60.71953 0.000000       0.000000 
1 1 1 13  0  11 o 835.5911 45.81401 18.35586       2.702985  18.35586       2.702985  18.35586       2.702985  835.5911 64.79079 835.5911 64.79079 0.000000       0.000000 
1 1 1 13  0  12 o 179.7224 72.58985 1.177726       1.469302  1.177726       1.469302  1.177726       1.469302  179.7224 102.6575 179.7224 102.6575 0.000000       0.000000 
1 1 1 13  0  13 o 312.7852 84.62106 3.610425       1.788518  3.610425       1.788518  3.610425       1.788518  312.7852 119.6723 312.7852 119.6723 0.000000       0.000000 
1 1 1 13  0  14 o 211.1916 81.20715 1.864342       1.733525  1.864342       1.733525  1.864342       1.733525  211.1916 114.8442 211.1916 114.8442 0.000000       0.000000 
1 1 1 13  0  15 o 599.3958 66.42979 10.57096       2.641815  10.57096       2.641815  10.57096       2.641815  599.3958 93.94592 599.3958 93.94592 0.000000       0.000000 
1 1 1 13  0  16 o 260.4186 106.0127 3.746624       3.170826  3.746624       3.170826  3.746624       3.170826  260.4186 149.9246 260.4186 149.9246 0.000000       0.000000 
1 1 1 13  0  17 o 291.6948 94.18395 4.032150       2.139751  4.032150       2.139751  4.032150       2.139751  291.6948 133.1962 291.6948 133.1962 0.000000       0.000000 
1 1 1 13  0  18 o 120.7948 59.47994 -0.9458711     1.844169  -0.9458711     1.844169  -0.9458711     1.844169  120.7948 84.11734 120.7948 84.11734 0.000000       0.000000 
1 1 1 13  1  0  o 900.7660 51.76433 21.27259       2.191328  22.11970       2.703055  19.64849       3.742777  930.2806 57.67715 871.2514 85.97401 59.02917       103.5287 
1 1 1 13  1  1  o 663.9713 46.08919 11.38390       1.522009  12.54211       2.152390  10.22558       2.152503  698.7828 61.46612 629.1599 68.69329 69.62286       92.17838 
1 1 1 13  1  2  o 1010.326 46.47041 25.62976       2.261796  24.38630       2.787079  28.02834       3.870867  976.7046 56.60683 1043.947 73.71338 -67.24268      92.94082 
1 1 1 13  1  3  o 1973.844 54.39845 100.5889       5.128279  101.9291       6.311341  97.98450       8.797994  1997.811 62.39987 1949.877 89.12363 47.93408       108.7969 
1 1 1 13  1  4  o 499.5289 68.31196 7.227268       1.575388  4.902184       2.623636  8.538264       1.970085  425.8293 117.7489 573.2285 69.29137 -147.3992      136.6239 
1 1 1 13  1  5  o 517.5922 79.89159 7.360017       2.048516  9.179266       2.884436  5.508623       2.909808  585.9229 100.8777 449.2616 123.9127 136.6613       159.7832 
1 1 1 13  1  6  o 977.6969 48.49641 23.78779       2.297721  21.57783       2.835910  28.01079       3.920217  915.5886 61.53731 1039.805 74.97176 -124.2166      96.99281 
1 1 1 13  1  7  f 919.1311 50.03931 21.28514       2.166475  23.67760       3.874784  20.19706       2.613089  952.4728 81.12781 885.7894 58.60043 66.68341       100.0786 
1 1 1 13  1  8  o 242.8096 91.56912 1.170317       1.535181  0.000000       0.000000  1.170317       1.535181  ?        ?        242.8096 91.56912 ?              ?        
1 1 1 13  1  9  o 311.5132 77.04066 2.168119       1.296199  1.948457       1.464517  2.962348       2.784772  275.8141 90.65525 347.2123 124.5901 -71.39816      154.0813 
1 1 1 13  1  10 o 834.1500 42.54661 18.19602       1.775927  18.92261       2.430083  17.36314       2.601778  853.5559 56.55526 814.7441 63.57955 38.81183       85.09322 
1 1 1 13  1  11 o 1326.198 41.55090 45.84372       2.789261  47.05577       3.960971  44.65148       3.928452  1343.940 58.21541 1308.456 59.30326 35.48413       83.10181 
1 1 1 13  1  12 o 443.6603 58.67347 5.484435       1.266160  4.664667       1.769382  6.344780       1.812644  406.2546 88.52967 481.0660 77.02467 -74.81146      117.3469 
1 1 1 13  1  13 o 1034.314 41.41718 28.32430       2.158287  29.53260       3.053045  27.11722       3.051512  1057.442 57.24181 1011.186 59.87408 46.25519       82.83436 
1 1 1 13  1  14 o 713.9348 56.70367 14.60501       1.891412  15.72357       2.391388  12.73625       3.090990  764.6693 62.31408 663.2004 94.75326 101.4689       113.4073 
1 1 1 13  1  15 o 413.1537 95.16869 5.169278       1.949601  0.000000       0.000000  5.169278       1.949601  ?        ?        413.1537 95.16869 ?              ?        
1 1 1 13  1  16 o 559.3644 76.28711 9.154380       1.969368  7.138556       2.355004  13.84257       3.591435  472.4321 101.4888 646.2966 113.9250 -173.8645      152.5742 
1 1 1 13  1  17 o 194.1134 61.99945 -0.3461410     1.299110  -1.177933      1.717639  0.7656962      1.985845  166.1104 78.35958 222.1164 96.10154 -56.00604      123.9989 
1 1 1 13  1  18 o 319.1367 72.10052 3.482406       1.351887  4.689791       1.998103  2.463098       1.835895  366.2179 103.2934 272.0555 100.6201 94.16238       144.2010 
1 1 1 13  2  0  o 1541.130 40.72377 60.50885       3.169578  66.11875       4.524770  55.10398       4.441314  1611.630 55.45587 1470.630 59.65191 140.9996       81.44755 
1 1 1 13  2  1  o 997.0464 39.68113 25.39699       1.994810  25.64362       2.819470  25.14980       2.822708  1001.958 55.80343 992.1342 56.43002 9.824280       79.36227 
1 1 1 13  2  2  o 1928.765 42.82962 95.00043       4.172565  87.24224       5.880228  102.8687       5.921790  1848.803 62.82316 2008.727 58.23021 -159.9238      85.65925 
1 1 1 13  2  3  o 1779.502 42.66830 80.83942       3.843343  82.93362       5.456506  78.77744       5.414354  1802.510 59.79342 1756.494 60.88583 46.01526       85.33661 
1 1 1 13  2  4  o 1487.603 39.61628 56.45498       2.982887  55.04980       4.165147  57.93444       4.273830  1468.611 56.01960 1506.594 56.03214 -37.98389      79.23255 
1 1 1 13  2  5  f 826.3574 50.08781 17.97976       1.964185  18.73588       2.451970  16.62557       3.281413  854.3286 57.01752 798.3862 82.36600 55.94238       100.1756 
1 1 1 13  2  6  o 843.8551 48.05929 18.21891       1.959805  17.70171       2.446055  19.14614       3.275169  829.4862 58.62455 858.2239 76.17049 -28.73773      96.11858 
1 1 1 13  2  7  o 312.3752 75.62229 2.444552       1.456901  1.257468       2.518155  3.041835       1.786205  287.7475 114.7773 337.0028 98.49409 -49.25528      151.2446 
1 1 1 13  2  8  o 497.0193 72.14747 6.518862       1.762380  0.000000       0.000000  6.518862       1.762380  ?        ?        497.0193 72.14747 ?              ?        
1 1 1 13  2  9  o 870.2775 41.24622 19.64746       1.799136  21.71489       2.553163  17.60829       2.535652  917.0258 55.25175 823.5293 61.25558 93.49646       82.49244 
1 1 1 13  2  10 o 1111.231 53.54045 33.30514       2.746399  34.54699       3.331116  30.66927       4.853082  1155.196 56.95746 1067.266 90.67618 87.92908       107.0809 
1 1 1 13  2  11 o 670.9232 57.57896 12.27014       1.870162  12.59729       2.431532  11.79631       2.926274  687.2803 70.89986 654.5662 90.74447 32.71405       115.1579 
1 1 1 13  2  12 o 1075.665 41.95723 30.46379       2.275907  30.02867       3.207347  30.90509       3.230011  1067.745 59.57020 1083.584 59.10185 -15.83948      83.91447 
1 1 1 13  2  13 o 747.5283 45.99482 15.01806       1.716489  13.63882       2.425552  16.40170       2.429416  710.7725 68.24464 784.2840 61.68274 -73.51147      91.98963 
1 1 1 13  2  14 f 461.2686 67.32738 6.176093       1.479618  5.914921       1.865615  6.618900       2.429216  454.9089 84.10329 467.6283 105.1596 -12.71936      134.6548 
1 1 1 13  2  15 o 496.5213 91.86500 7.333360       2.224200  0.000000       0.000000  7.333360       2.224200  ?        ?        496.5213 91.86500 ?              ?        
1 1 1 13  2  16 o 195.9783 60.75866 -0.4199614     1.306257  1.292951       1.682004  -3.022988      2.073474  233.4255 93.56448 158.5311 77.53803 74.89441       121.5173 
1 1 1 13  2  17 o 251.3916 76.39101 1.162513       1.712352  2.713984       2.790378  0.2253293      2.168720  288.2562 118.6545 214.5270 96.24680 73.72917       152.7820 
1 1 1 13  2  18 o 301.1015 76.95152 3.207388       1.595724  4.533239       2.227097  1.808636       2.287505  349.3788 111.5566 252.8241 106.0249 96.55470       153.9030 
1 1 1 13  3  0  o 2758.791 52.22569 194.7853       7.286367  205.7399       10.32535  183.9189       10.28374  2836.849 71.89270 2680.732 75.77289 156.1165       104.4514 
1 1 1 13  3  1  o 779.7057 41.72623 15.54370       1.628195  13.75677       2.244745  17.52756       2.365205  731.9205 61.13841 827.4908 56.80147 -95.57025      83.45245 
1 1 1 13  3  2  o 809.8887 42.85884 16.81060       1.739136  16.59909       2.361907  17.06109       2.570305  804.6930 58.37322 815.0844 62.77012 -10.39142      85.71768 
1 1 1 13  3  3  o 1006.949 51.99269 26.95468       2.472382  28.88183       3.089312  23.52144       4.123404  1062.322 57.65693 951.5765 86.53692 110.7458       103.9854 
1 1 1 13  3  4  o 1535.636 57.15557 60.22973       4.443555  60.22973       4.443555  0.000000       0.000000  1535.636 57.15557 ?        ?        ?              ?        
1 1 1 13  3  5  o 294.1471 73.34650 1.998754       1.346886  1.885120       1.772443  2.154047       2.072020  283.9870 99.64883 304.3072 107.6520 -20.32016      146.6930 
1 1 1 13  3  6  o 657.4886 55.62148 10.68883       1.741435  13.62673       3.027716  9.236469       2.128795  720.3375 84.63550 594.6398 72.19299 125.6978       111.2430 
1 1 1 13  3  7  o 197.9470 62.16004 -1.458410      1.182420  0.8940033      2.173240  -2.447611      1.409266  261.9496 105.8742 133.9443 65.16241 128.0053       124.3201 
1 1 1 13  3  8  o 605.0850 56.92796 9.992028       1.624857  11.11241       2.108908  8.355367       2.548905  653.3880 64.59944 556.7819 93.75545 96.60614       113.8559 
1 1 1 13  3  9  o 712.3080 60.66891 13.63794       2.123125  12.22319       3.076734  14.92402       2.933490  673.3434 92.71326 751.2726 78.27592 -77.92920      121.3378 
1 1 1 13  3  10 o 705.3304 68.50445 13.64877       2.379234  13.44948       3.419113  13.83587       3.312890  698.8644 99.44017 711.7964 94.25014 -12.93201      137.0089 
1 1 1 13  3  11 o 858.0741 44.39212 19.46803       1.906039  18.24216       2.766061  20.57641       2.630163  830.1806 66.36689 885.9677 58.97523 -55.78705      88.78425 
1 1 1 13  3  12 o 784.0490 45.81837 16.40899       1.796271  15.23041       2.567093  17.53964       2.514349  754.3275 67.94926 813.7705 61.48325 -59.44305      91.63673 
1 1 1 13  3  13 o 255.8273 69.47729 1.493709       1.267296  1.722310       1.700362  1.208037       1.900797  262.4907 96.88410 249.1639 99.60847 13.32684       138.9546 
1 1 1 13  3  14 o 270.5894 74.92107 0.5417615      1.533470  4.034335       2.722310  -1.081519      1.855930  358.2523 123.6205 182.9265 84.67962 175.3258       149.8421 
1 1 1 13  3  15 o 353.6419 71.91222 4.024292       1.427841  5.109174       1.895877  2.602492       2.170392  410.7341 93.29738 296.5497 109.4581 114.1844       143.8244 
1 1 1 13  3  16 f 211.9480 68.47775 -0.2539427     1.605554  -1.022662      2.725348  0.1546599      1.986957  214.3558 100.3557 209.5402 93.19626 4.815643       136.9555 
1 1 1 13  3  17 o 282.3459 68.11453 2.410958       1.558866  4.559683       1.880684  -2.306265      2.786562  369.9425 98.61882 194.7493 93.98238 175.1932       136.2291 
1 1 1 13  3  18 o 205.8239 66.45467 -0.2910759E-01 1.535780  -0.3558204     2.087884  0.3560649      2.266997  195.5514 90.27425 216.0964 97.54716 -20.54501      132.9093 
1 1 1 13  4  0  o 609.7180 47.26093 9.603745       1.434568  9.892697       2.050830  9.326892       2.007436  618.8595 66.49980 600.5765 67.17262 18.28302       94.52187 
1 1 1 13  4  1  o 2034.348 62.02781 105.6398       6.388447  105.6398       6.388447  0.000000       0.000000  2034.348 62.02781 ?        ?        ?              ?        
1 1 1 13  4  2  o 479.6266 70.94244 6.435964       1.577636  6.996675       1.924951  5.288763       2.753405  517.0094 75.79290 442.2437 119.9448 74.76566       141.8849 
1 1 1 13  4  3  o 873.5444 50.47915 19.23281       2.159880  17.71415       2.727497  21.78661       3.536943  829.4353 65.48547 917.6536 76.83900 -88.21832      100.9583 
1 1 1 13  4  4  o 810.7125 52.35364 16.15439       1.988207  14.70260       2.376083  19.54455       3.630943  755.3123 62.70413 866.1128 83.85587 -110.8005      104.7073 
1 1 1 13  4  5  o 1777.349 51.62750 81.40165       4.386764  81.14632       7.553818  81.53159       5.388530  1770.242 84.28497 1784.456 59.64594 -14.21338      103.2550 
1 1 1 13  4  6  o 1108.359 56.94909 31.53569       3.184795  0.000000       0.000000  31.53569       3.184795  ?        ?        1108.359 56.94909 ?              ?        
1 1 1 13  4  7  o 429.5738 61.99805 4.940523       1.308062  6.930373       1.933877  3.262388       1.775955  511.8855 77.00809 347.2621 97.18430 164.6234       123.9961 
1 1 1 13  4  8  o 209.1401 54.37405 -1.043701      0.9946312 2.507663       1.582949  -3.360536      1.278548  306.9209 93.46853 111.3594 55.58581 195.5614       108.7481 
1 1 1 13  4  9  o 632.1680 61.79068 11.70020       1.687346  8.341045       2.923740  13.37777       2.066155  546.5782 109.4747 717.7577 57.33789 -171.1794      123.5814 
1 1 1 13  4  10 o 219.0453 64.27589 0.2691833      1.210954  1.196202       1.738594  -0.6042914     1.687637  248.8759 96.53101 189.2147 84.89596 59.66122       128.5518 
1 1 1 13  4  11 o 804.9234 67.45349 17.20774       2.723453  17.20774       2.723453  0.000000       0.000000  804.9234 67.45349 ?        ?        ?              ?        
1 1 1 13  4  12 o 1288.038 54.34355 44.96641       3.229520  44.55917       5.831240  45.14659       3.878701  1265.676 91.62251 1310.400 58.46539 -44.72388      108.6871 
1 1 1 13  4  13 o 813.0564 65.76656 18.94923       2.623081  16.76191       3.810392  20.91949       3.616400  759.2230 101.6872 866.8898 83.43063 -107.6667      131.5331 
1 1 1 13  4  14 o 252.8128 75.09544 0.9865115      1.545724  1.278029       2.699345  0.8442847      1.885455  272.2502 114.7243 233.3755 96.93108 38.87474       150.1909 
1 1 1 13  4  15 o 287.8598 71.90601 2.236681       1.361009  1.080179       1.810286  3.740228       2.064110  234.0591 95.86742 341.6605 107.1976 -107.6013      143.8120 
1 1 1 13  4  16 o 302.0825 78.27664 2.477767       1.582059  5.089539       2.660690  1.049332       1.967691  372.1224 122.1863 232.0426 97.87460 140.0798       156.5533 
1 1 1 13  4  17 o 217.4105 69.81463 0.1559703      1.618150  0.1497208      2.023551  0.1670543      2.694871  206.6705 92.82858 228.1505 104.3033 -21.47992      139.6293 
1 1 1 13  4  18 o 604.4844 64.50485 11.85903       1.891269  13.03726       2.624553  10.58632       2.727747  648.5951 81.74341 560.3738 99.80742 88.22131       129.0097 
1 1 1 13  5  0  f 1130.719 48.56964 33.76014       2.613005  36.15344       3.276378  29.57749       4.331323  1191.146 54.33072 1070.293 80.52460 120.8528       97.13927 
1 1 1 13  5  1  o 1531.462 49.54559 61.13154       3.599983  63.21369       4.439341  57.13259       6.152271  1574.506 55.69170 1488.419 81.96033 86.08765       99.09118 
1 1 1 13  5  2  o 1436.770 47.93033 53.20161       3.307606  53.81326       4.104576  52.06884       5.585835  1452.295 55.82513 1421.245 77.92831 31.05078       95.86066 
1 1 1 13  5  3  o 1108.056 48.78965 30.80675       2.661932  28.08160       3.366855  35.35048       4.347462  1045.428 63.92020 1170.684 73.72874 -125.2561      97.57930 
1 1 1 13  5  4  o 914.5789 61.92477 21.90672       2.822868  20.24123       4.017306  23.53112       3.967438  878.5189 91.67374 950.6389 83.27447 -72.12000      123.8495 
1 1 1 13  5  5  o 619.8754 61.39933 10.42580       1.752365  9.277841       2.949973  11.05176       2.178353  587.1966 102.9872 652.5543 66.88163 -65.35767      122.7987 
1 1 1 13  5  6  o 719.5120 43.11548 13.38184       1.555238  13.15079       2.212729  13.60742       2.186386  713.1060 61.90433 725.9180 60.03026 -12.81195      86.23096 
1 1 1 13  5  7  o 1550.303 41.35881 61.64706       3.242270  66.03674       4.670725  57.56458       4.504324  1603.865 57.52186 1496.742 59.44275 107.1222       82.71763 
1 1 1 13  5  8  o 1557.893 40.80217 62.45743       3.217215  60.42455       4.503863  64.57548       4.597232  1531.851 58.07444 1583.936 57.32912 -52.08459      81.60434 
1 1 1 13  5  9  o 592.8345 51.10266 9.408707       1.464077  11.60905       2.083986  7.264335       2.057307  666.1580 62.52380 519.5109 80.84987 146.6471       102.2053 
1 1 1 13  5  10 o 457.5118 74.43983 6.574844       1.554872  4.368474       3.081679  7.328352       1.800911  391.2065 131.5908 523.8170 69.63486 -132.6105      148.8797 
1 1 1 13  5  11 o 1008.940 62.44244 27.08346       3.107323  22.37114       4.019402  34.08326       4.898767  901.7478 89.21282 1116.132 87.39167 -214.3839      124.8849 
1 1 1 13  5  12 o 381.1321 81.48466 4.421123       1.659915  4.655998       1.993704  3.890465       2.996739  399.0872 99.12321 363.1771 129.3584 35.91013       162.9693 
1 1 1 13  5  13 o 297.7032 67.68078 1.350769       1.250276  -0.2640671     1.489105  5.209118       2.301769  182.0080 80.82819 413.3984 108.5797 -231.3904      135.3616 
1 1 1 13  5  14 f 442.1546 70.51666 5.439631       1.449876  4.571715       1.732837  7.465515       2.647441  393.9106 88.99026 490.3987 109.4127 -96.48804      141.0333 
1 1 1 13  5  15 o 925.8394 54.92271 23.31332       2.461696  29.33235       4.203610  20.17174       3.036921  1004.674 83.39838 847.0046 71.48934 157.6695       109.8454 
1 1 1 13  5  16 o 566.8749 74.75577 10.79480       1.923544  9.786361       3.327793  11.30079       2.357227  513.8498 128.3086 619.9000 76.75030 -106.0502      149.5115 
1 1 1 13  5  17 o 605.8306 58.19791 11.20513       1.738543  11.40739       2.486133  11.01156       2.432098  611.0057 82.47800 600.6555 82.13019 10.35016       116.3958 
1 1 1 13  5  18 o 346.6317 70.41820 5.112862       1.793824  7.203858       2.075198  -1.067683      3.567766  469.0035 90.67795 224.2599 107.7608 244.7436       140.8364 
1 1 1 13  6  0  o 226.5196 62.05147 0.6671667      1.040291  -0.5761301E-02 1.385844  1.535824       1.574542  190.5939 81.33351 262.4452 93.73579 -71.85126      124.1029 
1 1 1 13  6  1  o 524.0195 60.11558 7.695721       1.459692  10.13452       1.981428  4.801396       2.158560  626.3843 63.35286 421.6547 102.1859 204.7296       120.2312 
1 1 1 13  6  2  o 554.0779 50.67278 8.070660       1.374186  7.307513       2.011596  8.738421       1.881687  527.5397 77.64063 580.6162 65.13721 -53.07654      101.3456 
1 1 1 13  6  3  o 1302.477 48.76160 44.06527       3.018003  42.32929       5.170535  44.96234       3.716867  1278.344 80.30012 1326.611 55.34135 -48.26758      97.52319 
1 1 1 13  6  4  o 1294.635 50.46873 43.64719       3.093451  41.95778       5.333522  44.50360       3.797437  1270.375 83.39047 1318.895 56.87178 -48.51953      100.9375 
1 1 1 13  6  5  o 1296.717 39.76400 43.00446       2.604111  47.27959       3.747718  39.01337       3.621084  1359.422 54.45390 1234.012 57.96097 125.4099       79.52799 
1 1 1 13  6  6  o 638.1222 55.89297 11.24625       1.644464  7.246294       2.392985  14.82551       2.263646  518.5261 94.64353 757.7183 59.48698 -239.1921      111.7859 
1 1 1 13  6  7  o 690.2134 51.73774 12.47353       1.779277  13.05339       2.553220  11.92605       2.480893  706.1837 72.44022 674.2430 73.88905 31.94061       103.4755 
1 1 1 13  6  8  o 1551.137 41.34730 62.00934       3.244505  58.71395       4.520901  65.50923       4.659065  1508.316 59.20373 1593.958 57.73487 -85.64233      82.69460 
1 1 1 13  6  9  f 930.8892 42.62854 22.57165       1.996409  23.87000       2.855332  21.32988       2.792418  957.6476 59.18354 904.1309 61.36838 53.51672       85.25708 
1 1 1 13  6  10 o 729.5009 54.92943 12.71452       1.861149  19.22078       3.502765  10.15510       2.196926  842.9285 83.16381 616.0734 71.78265 226.8551       109.8589 
1 1 1 13  6  11 o 583.3846 58.16579 9.363696       1.668397  9.907925       2.383533  8.840905       2.336120  601.3079 80.30273 565.4615 84.16953 35.84637       116.3316 
1 1 1 13  6  12 o 1104.487 57.18270 32.21461       3.186533  32.21461       3.186533  0.000000       0.000000  1104.487 57.18270 ?        ?        ?              ?        
1 1 1 13  6  13 o 558.9233 69.05537 8.913566       1.827447  10.20813       3.037461  8.179138       2.287827  583.1706 106.8165 534.6760 87.54887 48.49463       138.1107 
1 1 1 13  6  14 o 213.1215 64.01196 0.5050859      1.186596  0.5450827      1.532101  0.4451320      1.875784  207.0310 86.79295 219.2120 94.11219 -12.18105      128.0239 
1 1 1 13  6  15 o 639.8547 52.07441 11.68843       1.641568  11.64349       2.190570  11.74599       2.479182  643.3958 68.29462 636.3135 78.63091 7.082275       104.1488 
1 1 1 13  6  16 o 626.7953 75.06564 14.10498       2.019784  16.39415       2.480186  9.597428       3.480290  760.4025 65.05155 493.1882 135.3059 267.2144       150.1313 
1 1 1 13  6  17 f 242.9776 76.13983 0.7397700      1.896886  -0.7826645     2.559540  2.594788       2.825314  205.9392 96.68251 280.0161 117.6503 -74.07689      152.2797 
1 1 1 13  6  18 f 412.1569 134.3504 7.790483       3.218990  7.790483       3.218990  0.000000       0.000000  412.1569 134.3504 ?        ?        ?              ?        
1 1 1 13  7  0  o 651.8309 43.52080 10.95286       1.418393  11.43488       2.035658  10.49803       1.977430  665.9753 61.05554 637.6865 62.03596 28.28888       87.04160 
1 1 1 13  7  1  o 349.4493 69.88061 2.347961       1.277483  5.770281       2.441252  1.057428       1.499122  461.1548 106.6840 237.7438 90.28688 223.4110       139.7612 
1 1 1 13  7  2  o 235.4212 70.72527 -0.3195865E-01 1.223525  1.163392       2.669338  -0.3498947     1.376657  292.3331 117.6242 178.5094 78.56727 113.8237       141.4505 
1 1 1 13  7  3  o 520.0039 79.75554 8.006860       1.944592  5.427814       3.413015  9.246495       2.366223  447.1083 137.4472 592.8996 80.94481 -145.7913      159.5111 
1 1 1 13  7  4  o 664.9410 46.57393 11.46291       1.545591  11.62730       2.244815  11.31475       2.131201  669.1978 67.16481 660.6843 64.53999 8.513489       93.14785 
1 1 1 13  7  5  o 490.2340 58.62885 6.583879       1.365615  5.391659       2.086133  7.477862       1.806459  445.8477 95.31025 534.6203 68.30316 -88.77261      117.2577 
1 1 1 13  7  6  o 186.9354 59.36411 -0.6988320     1.168417  -0.7300378     1.700113  -0.6708996     1.608475  189.1779 85.02026 184.6928 82.87306 4.485123       118.7282 
1 1 1 13  7  7  o 1516.648 41.85828 59.27472       3.213019  57.83022       4.556556  60.70327       4.531340  1497.865 60.08700 1535.431 58.29249 -37.56665      83.71655 
1 1 1 13  7  8  o 865.7061 43.30851 19.44491       1.875874  18.96461       2.513901  20.04835       2.817807  854.6708 58.44934 876.7412 63.92324 -22.07037      86.61701 
1 1 1 13  7  9  o 183.7558 56.51064 -0.9795723     1.047713  0.9729555      1.645535  -2.310743      1.358705  236.3006 93.24614 131.2110 63.86681 105.0896       113.0213 
1 1 1 13  7  10 o 453.2870 62.83093 5.427671       1.360519  7.451510       2.246652  4.255695       1.709651  517.7240 88.91793 388.8499 88.79474 128.8741       125.6619 
1 1 1 13  7  11 o 371.8653 87.80132 4.074438       1.908319  4.428241       3.045703  3.845774       2.448534  382.9459 130.8106 360.7846 117.1532 22.16125       175.6026 
1 1 1 13  7  12 o 929.0070 63.63341 24.77894       2.560899  25.42282       3.011261  23.09627       4.867977  976.4916 61.22066 881.5222 111.5745 94.96942       127.2668 
1 1 1 13  7  13 o 681.3682 72.99744 14.88152       2.109292  10.84160       3.726465  16.78607       2.558625  575.6515 130.8334 787.0848 64.78516 -211.4333      145.9949 
1 1 1 13  7  14 o 373.8047 69.72267 4.237679       1.315307  3.869438       1.686300  4.809770       2.101852  356.9646 92.54104 390.6448 104.3128 -33.68024      139.4453 
1 1 1 13  7  15 o 383.7147 71.09215 5.040896       1.438271  5.916063       1.823176  3.598750       2.340387  443.0261 84.36725 324.4033 114.4489 118.6228       142.1843 
1 1 1 13  7  16 o 252.0588 70.89336 1.825106       1.378236  2.300518       1.835232  1.210168       2.087237  268.4261 100.3388 235.6916 100.1779 32.73456       141.7867 
1 1 1 13  7  17 o 277.3022 80.78031 1.737805       1.800653  5.293478       3.148122  0.8922330E-02  2.195197  347.9297 131.1483 206.6748 94.35019 141.2549       161.5606 
1 1 1 13  7  18 o 260.0905 104.1769 2.430249       2.083542  2.430249       2.083542  0.000000       0.000000  260.0905 104.1769 ?        ?        ?              ?        
1 1 1 13  8  0  o 1035.193 58.96180 27.94697       3.054615  29.20435       4.231814  26.57920       4.413679  1061.013 79.35568 1009.373 87.22758 51.64014       117.9236 
1 1 1 13  8  1  o 1708.414 61.39464 75.90075       5.288867  78.83655       7.355960  72.75896       7.609664  1745.439 83.24364 1671.389 90.26464 74.05042       122.7893 
1 1 1 13  8  2  o 564.3683 88.40282 8.751589       2.401191  8.681757       3.040323  8.867359       3.914637  565.4005 110.1737 563.3362 138.2823 2.064270       176.8056 
1 1 1 13  8  3  o 1392.045 52.23557 49.97754       3.451587  49.73468       4.218533  50.46938       6.003394  1392.752 59.82793 1391.339 85.64368 1.413208       104.4711 
1 1 1 13  8  4  o 1433.674 40.45847 52.67993       2.936033  54.12712       4.175602  51.26476       4.129145  1453.291 56.75221 1414.058 57.67789 39.23340       80.91695 
1 1 1 13  8  5  o 502.6099 62.94720 7.013750       1.505973  5.338983       2.257166  8.357403       2.021761  441.1706 102.9400 564.0492 72.47598 -122.8786      125.8944 
1 1 1 13  8  6  o 1426.643 53.42218 53.95838       3.568625  55.72564       4.356610  50.35448       6.221351  1471.696 58.47186 1381.591 89.42460 90.10535       106.8444 
1 1 1 13  8  7  o 1031.339 42.62214 27.58746       2.205284  24.35332       3.083241  30.97497       3.155500  967.9935 63.26254 1094.685 57.13525 -126.6912      85.24427 
1 1 1 13  8  8  o 321.3646 68.97470 2.706008       1.217249  2.079083       1.580763  3.619286       1.907922  282.8835 94.24271 359.8457 100.7390 -76.96219      137.9494 
1 1 1 13  8  9  o 1069.528 39.77986 29.74311       2.143375  31.90175       3.116780  27.80630       2.952286  1106.586 55.81349 1032.469 56.69748 74.11633       79.55972 
1 1 1 13  8  10 o 616.2183 50.93949 10.16902       1.544802  12.03395       2.280727  8.588188       2.099828  670.5792 68.12589 561.8572 75.75083 108.7220       101.8790 
1 1 1 13  8  11 o 322.1834 81.71088 2.891348       1.691894  3.016477       2.459275  2.778908       2.331254  327.3319 117.1221 317.0349 113.9697 10.29697       163.4218 
1 1 1 13  8  12 o 742.0182 67.08313 16.54890       2.122708  13.97349       3.907146  17.62740       2.528399  673.5069 118.9355 810.5296 62.08806 -137.0227      134.1663 
1 1 1 13  8  13 o 860.7905 66.53745 21.57522       2.373845  21.63321       2.729096  21.39497       4.811642  895.9956 60.51772 825.5855 118.5181 70.41010       133.0749 
1 1 1 13  8  14 o 742.6350 48.04545 15.54293       1.752192  17.05009       2.364145  13.70600       2.610005  791.0908 59.46385 694.1791 75.48186 96.91168       96.09090 
1 1 1 13  8  15 o 178.8643 57.78275 -1.030502      1.154907  -2.149272      1.460095  0.8393045      1.887595  135.1518 65.87720 222.5768 94.95039 -87.42502      115.5655 
1 1 1 13  8  16 o 258.7628 69.14253 1.498647       1.401652  -0.4952695     1.884257  3.968887       2.097279  185.8571 85.78504 331.6686 108.4605 -145.8115      138.2851 
1 1 1 13  8  17 o 374.3787 78.20965 5.221792       1.616957  4.073373       2.214969  6.532092       2.365935  326.2087 111.5528 422.5488 109.6493 -96.34009      156.4193 
1 1 1 13  8  18 o 331.6064 76.49867 4.977263       1.930765  0.4937093      3.321718  7.264989       2.372758  228.4837 108.1424 434.7291 108.2285 -206.2453      152.9973 
1 1 1 13  9  0  o 1701.061 58.89520 74.98445       5.071083  73.02112       7.108530  77.01904       7.236369  1678.213 83.66600 1723.908 82.91306 -45.69470      117.7904 
1 1 1 13  9  1  o 330.3768 73.73838 -0.8338347     1.593862  -3.288088      1.820003  7.242144       3.301491  150.2099 73.29004 510.5437 127.9764 -360.3338      147.4768 
1 1 1 13  9  2  o 1491.404 48.54387 54.69244       3.464218  49.85378       4.181242  65.28493       6.186456  1394.285 59.23386 1588.523 76.92451 -194.2382      97.08775 
1 1 1 13  9  3  o 304.5933 81.55653 1.899609       1.562839  2.001718       1.794266  1.578603       3.181352  288.5852 100.3166 320.6013 128.6175 -32.01614      163.1131 
1 1 1 13  9  4  o 316.2128 73.06390 2.668332       1.377005  3.349605       1.644436  1.069626       2.519070  351.1182 91.56052 281.3073 113.8859 69.81082       146.1278 
1 1 1 13  9  5  o 1265.201 49.44632 40.53582       3.020062  38.28872       3.715744  44.90957       5.183959  1219.491 60.18434 1310.911 78.47036 -91.42004      98.89263 
1 1 1 13  9  6  o 599.6841 48.88111 9.495090       1.447686  8.860811       2.109872  10.05937       1.990052  578.9804 73.64626 620.3878 64.29372 -41.40741      97.76223 
1 1 1 13  9  7  o 1149.152 43.09008 34.27480       2.495313  36.49889       3.599790  32.21766       3.462049  1185.449 60.17795 1112.855 61.68983 72.59338       86.18016 
1 1 1 13  9  8  o 1152.452 40.49873 34.47430       2.356612  32.71776       3.255430  36.40825       3.415862  1120.828 57.56432 1184.076 56.98190 -63.24792      80.99745 
1 1 1 13  9  9  o 535.5333 54.01573 7.813447       1.406699  7.621317       2.132626  7.961421       1.871584  526.5331 82.73091 544.5336 69.47224 -18.00055      108.0315 
1 1 1 13  9  10 o 362.7493 77.02032 3.890562       1.538983  4.365426       2.132282  3.374210       2.223482  384.4195 106.0918 341.0792 111.6829 43.34036       154.0406 
1 1 1 13  9  11 o 402.6985 69.47186 4.962149       1.481562  2.804663       2.177870  6.820693       2.021363  314.1035 110.4456 491.2936 84.30370 -177.1901      138.9437 
1 1 1 13  9  12 f 470.1808 85.52289 6.355069       1.960786  0.000000       0.000000  6.355069       1.960786  ?        ?        470.1808 85.52289 ?              ?        
1 1 1 13  9  13 o 860.1536 65.62897 21.44437       2.335025  21.26087       2.673574  22.03442       4.794183  886.5684 59.91743 833.7388 116.7842 52.82953       131.2579 
1 1 1 13  9  14 o 896.0121 45.67636 22.33392       2.048973  22.74458       2.793863  21.85599       3.014013  909.1714 61.05241 882.8527 67.95531 26.31866       91.35273 
1 1 1 13  9  15 o 581.9246 54.26613 9.824347       1.533222  7.888393       2.018628  12.46399       2.357118  510.7065 80.75857 653.1426 72.50727 -142.4361      108.5323 
1 1 1 13  9  16 o 218.2924 66.21122 0.5559572      1.354222  -0.6602546     1.806364  2.116756       2.046322  177.9134 82.76460 258.6714 103.3718 -80.75792      132.4224 
1 1 1 13  9  17 o 212.5756 68.32259 0.3671473      1.620753  1.039549       2.008440  -0.8882244     2.744293  220.9926 96.13010 204.1586 97.11287 16.83395       136.6452 
1 1 1 13  10 0  o 996.8326 47.24128 24.53897       2.234297  22.45557       2.691219  29.16022       4.008140  934.3226 57.16930 1059.343 75.22384 -125.0200      94.48256 
1 1 1 13  10 1  o 1205.671 39.91012 37.22371       2.433891  35.06270       3.389606  39.52381       3.496988  1169.364 57.25531 1241.977 55.61564 -72.61243      79.82024 
1 1 1 13  10 2  o 968.0078 41.92051 24.19678       2.039018  23.36252       2.960387  24.94976       2.812508  951.3017 61.80268 984.7139 56.65462 -33.41217      83.84103 
1 1 1 13  10 3  o 918.8903 43.46035 21.79112       2.008561  21.08771       2.773590  22.56680       2.912572  903.3936 61.00047 934.3870 61.92051 -30.99341      86.92069 
1 1 1 13  10 4  o 545.1975 75.93253 9.675771       1.829756  11.74127       2.182300  4.786628       3.357513  671.3307 65.02372 419.0644 137.2404 252.2663       151.8651 
1 1 1 13  10 5  o 1155.055 54.13653 35.36418       2.901754  36.11810       3.513321  33.74610       5.147018  1183.576 58.63242 1126.533 91.02360 57.04333       108.2731 
1 1 1 13  10 6  o 1120.816 51.31676 32.92846       2.728072  32.83714       3.344878  33.10988       4.714787  1125.271 58.91862 1116.361 84.03710 8.909058       102.6335 
1 1 1 13  10 7  o 1608.574 41.99007 67.22255       3.418916  68.50542       4.893508  65.99916       4.778691  1623.452 59.53841 1593.695 59.22704 29.75647       83.98014 
1 1 1 13  10 8  o 385.7751 66.76178 4.228838       1.294535  3.949240       1.866647  4.487916       1.796847  372.2858 97.77890 399.2643 90.92760 -26.97849      133.5236 
1 1 1 13  10 9  o 444.7842 57.72572 5.524475       1.244325  5.267222       1.851468  5.736391       1.680424  432.2124 87.61214 457.3560 75.18743 -25.14368      115.4514 
1 1 1 13  10 10 o 230.4937 68.39928 0.4663146      1.390222  -0.4967543     2.016501  1.338724       1.919243  206.2545 92.65247 254.7330 100.6448 -48.47859      136.7986 
1 1 1 13  10 11 o 274.6068 75.63430 0.7816387      1.495716  4.004463       2.753969  -0.5667338     1.781335  358.6624 124.3045 190.5511 86.20087 168.1112       151.2686 
1 1 1 13  10 12 o 579.7407 69.74042 10.00750       1.803897  10.00569       3.269451  10.00830       2.162910  559.8762 119.0119 599.6052 72.73977 -39.72906      139.4808 
1 1 1 13  10 13 o 351.1836 67.76901 3.903690       1.348694  5.558394       1.849769  2.025655       1.970649  431.4595 87.67216 270.9077 103.3642 160.5519       135.5380 
1 1 1 13  10 14 o 250.1459 69.71441 1.703144       1.295266  1.710804       1.742323  1.693680       1.936608  248.6987 96.58659 251.5931 100.5556 -2.894333      139.4288 
1 1 1 13  10 15 o 216.9031 61.72182 0.2213770      1.328868  2.673867       1.717093  -3.441004      2.098321  282.2282 98.13387 151.5780 74.88710 130.6502       123.4436 
1 1 1 13  10 16 o 370.8242 74.82307 5.122862       1.528762  6.104828       2.063689  3.928624       2.275839  422.6168 98.30622 319.0316 112.8267 103.5852       149.6461 
1 1 1 13  10 17 o 468.4279 79.63375 7.890442       1.831225  5.870643       2.274406  11.61291       3.087658  386.9820 110.5736 549.8738 114.6282 -162.8918      159.2675 
1 1 1 13  11 0  o 795.6152 56.44388 16.38265       2.022260  17.15516       3.802694  16.07804       2.387917  802.6227 95.45474 788.6077 60.26640 14.01508       112.8878 
1 1 1 13  11 1  o 301.4254 80.39876 1.057976       1.485191  3.877074       3.134196  0.2416425      1.686573  386.9200 132.6927 215.9307 90.82117 170.9894       160.7975 
1 1 1 13  11 2  o 357.6891 82.52636 2.304061       1.538036  5.952816       3.286008  1.280457       1.740453  459.7344 133.3704 255.6437 97.23543 204.0907       165.0527 
1 1 1 13  11 3  o 775.1530 59.71898 14.99271       2.181163  18.83830       3.914320  13.26094       2.626765  839.8138 93.65929 710.4922 74.11722 129.3216       119.4380 
1 1 1 13  11 4  o 309.8579 69.33752 2.553230       1.468478  -1.550424      2.779460  4.142254       1.729579  231.0577 105.7420 388.6581 89.71845 -157.6004      138.6750 
1 1 1 13  11 5  o 337.3600 69.39338 3.131652       1.263957  2.711967       1.803930  3.536393       1.771522  317.5051 100.2970 357.2148 95.92851 -39.70978      138.7868 
1 1 1 13  11 6  o 301.8776 78.97079 1.938766       1.571998  1.239678       1.984134  3.117504       2.576404  260.3656 102.5029 343.3896 120.1612 -83.02393      157.9416 
1 1 1 13  11 7  o 448.2956 74.11539 5.788397       1.655150  6.331008       2.313194  5.219151       2.369286  472.3361 99.85681 424.2551 109.5490 48.08102       148.2308 
1 1 1 13  11 8  o 420.4313 67.51966 5.022878       1.402023  4.505342       1.897122  5.645689       2.081152  396.1903 95.66454 444.6722 95.30958 -48.48190      135.0393 
1 1 1 13  11 9  o 683.8203 51.19204 12.08341       1.699007  9.494208       2.151794  16.36999       2.768684  589.6398 73.69168 778.0008 71.07769 -188.3610      102.3841 
1 1 1 13  11 10 o 792.6191 65.31945 18.53585       2.273483  16.17016       4.083810  19.59831       2.736797  731.3068 114.0201 853.9315 63.76469 -122.6246      130.6389 
1 1 1 13  11 11 o 706.7994 62.05163 12.82208       2.006104  18.69550       3.846328  10.62731       2.351236  797.7650 97.24544 615.8340 77.10345 181.9310       124.1033 
1 1 1 13  11 12 o 314.2477 73.97106 3.044780       1.396052  3.572348       1.935840  2.473080       2.015182  337.8194 103.4588 290.6759 105.7504 47.14349       147.9421 
1 1 1 13  11 13 o 298.5474 77.07706 2.302172       1.525168  4.703929       2.570091  0.9966047      1.894888  366.0833 120.0824 231.0116 96.66285 135.0717       154.1541 
1 1 1 13  11 14 o 352.0479 88.34042 4.255894       1.680662  3.798847       1.857621  6.317733       3.945521  334.2422 101.1345 369.8535 144.8721 -35.61124      176.6808 
1 1 1 13  11 15 o 221.3989 67.67747 0.2057693      1.610195  -3.035902      2.495922  2.516743       2.107386  171.7445 84.22404 271.0533 105.9588 -99.30878      135.3549 
1 1 1 13  11 16 o 256.5521 76.38213 2.148607       1.726809  2.773082       2.263443  1.278998       2.671004  274.0738 108.9766 239.0303 107.0561 35.04350       152.7643 
1 1 1 13  11 17 f 225.0423 73.31392 0.9320902      1.900927  0.2715216      2.486182  1.861751       2.949418  207.7573 96.79773 242.3273 110.1359 -34.56999      146.6278 
1 1 1 13  12 0  o 366.8884 72.44421 3.965565       1.383424  2.206448       2.668960  4.611831       1.617708  319.9924 120.7224 413.7845 80.11724 -93.79205      144.8884 
1 1 1 13  12 1  o 1084.355 55.59005 31.18393       2.737492  30.04055       5.030274  31.66503       3.262985  1061.462 94.59743 1107.248 58.41522 -45.78638      111.1801 
1 1 1 13  12 2  o 1671.645 52.30526 72.01678       4.112143  75.51714       7.354147  70.42454       4.960006  1691.185 86.17870 1652.105 59.30086 39.08008       104.6105 
1 1 1 13  12 3  o 1563.018 53.61280 64.47470       3.952979  62.73131       6.882843  65.33279       4.828783  1536.404 88.86636 1589.633 60.00082 -53.22925      107.2256 
1 1 1 13  12 4  o 1356.493 52.12009 48.92238       3.309503  46.68049       5.800236  50.00458       4.029878  1322.568 87.11286 1390.419 57.24829 -67.85132      104.2402 
1 1 1 13  12 5  o 354.2527 82.60844 3.418101       1.679130  3.647807       2.757620  3.282750       2.116792  364.5052 124.4706 344.0001 108.6448 20.50507       165.2169 
1 1 1 13  12 6  o 401.0065 63.08811 4.587746       1.236295  3.983562       1.921180  5.014773       1.615144  373.7789 99.69074 428.2341 77.34464 -54.45517      126.1762 
1 1 1 13  12 7  o 228.6737 70.17088 -0.2673966     1.611036  1.181516       2.069872  -2.493987      2.565916  257.7040 103.6175 199.6434 94.65314 58.06062       140.3418 
1 1 1 13  12 8  o 253.1986 65.12254 0.7795285      1.319134  -1.712877      1.877996  3.206877       1.853324  174.1358 82.08176 332.2613 101.1255 -158.1255      130.2451 
1 1 1 13  12 9  o 475.1983 64.58636 6.500015       1.482429  6.404196       1.953098  6.630240       2.276898  475.1918 84.26981 475.2047 97.89889 -0.1293945E-01 129.1727 
1 1 1 13  12 10 o 346.4663 80.77724 3.437128       1.550469  4.772696       2.785862  2.837801       1.866202  383.3771 124.9861 309.5556 102.3637 73.82150       161.5545 
1 1 1 13  12 11 o 235.2305 68.10567 1.044224       1.291878  0.3388250      2.150386  1.442596       1.616009  227.1696 99.13007 243.2914 93.41712 -16.12180      136.2113 
1 1 1 13  12 12 o 286.9108 74.77321 2.301659       1.446646  3.470806       2.218680  1.436999       1.908018  326.3176 111.6459 247.5041 99.49530 78.81349       149.5464 
1 1 1 13  12 13 o 249.3882 69.58593 1.216015       1.383131  3.195715       2.111665  -0.2714748     1.830426  307.2612 108.6792 191.5152 86.93475 115.7460       139.1719 
1 1 1 13  12 14 o 307.6762 85.35535 0.9623325      1.695981  -0.9123080     1.876119  9.342087       3.966586  176.3985 82.80140 438.9539 149.2852 -262.5554      170.7107 
1 1 1 13  12 15 o 297.2769 81.50418 2.645883       1.590898  1.424331       1.847213  6.154238       3.130493  229.6817 95.71530 364.8721 131.9481 -135.1904      163.0084 
1 1 1 13  12 16 o 434.5906 77.93138 6.864155       1.622091  6.084836       1.950513  8.611784       2.920895  418.3925 94.33577 450.7888 124.0724 -32.39633      155.8628 
1 1 1 13  13 0  f 1198.897 54.37330 39.20095       2.962677  34.10538       5.290029  41.52959       3.576129  1128.565 93.42673 1269.229 55.65311 -140.6648      108.7466 
1 1 1 13  13 1  o 467.7951 58.31796 5.921323       1.328965  6.433253       1.896512  5.427421       1.862821  489.1736 79.29324 446.4165 85.53665 42.75708       116.6359 
1 1 1 13  13 2  o 1116.367 40.16047 32.26916       2.265094  31.64597       3.216521  32.88223       3.190295  1104.586 57.71832 1128.149 55.85740 -23.56311      80.32094 
1 1 1 13  13 3  o 741.8871 45.58817 14.43462       1.692201  13.34533       2.354871  15.59771       2.433324  712.1248 66.06972 771.6494 62.83245 -59.52460      91.17634 
1 1 1 13  13 4  o 538.5026 64.15652 8.315074       1.590437  6.873670       2.618087  9.158107       2.002226  490.1960 108.3749 586.8091 68.69579 -96.61319      128.3130 
1 1 1 13  13 5  o 320.0166 69.03432 3.020268       1.450657  -0.7464665     2.725631  4.508952       1.713507  238.4538 107.3624 401.5794 86.81170 -163.1255      138.0686 
1 1 1 13  13 6  o 276.6577 69.75285 1.898566       1.388802  -1.059944      2.622824  3.051251       1.637148  226.0367 103.1667 327.2787 93.90668 -101.2420      139.5057 
1 1 1 13  13 7  o 362.6794 76.14191 4.347455       1.623918  5.409351       1.850911  0.7971697      3.384358  436.7960 86.75835 288.5628 125.1533 148.2332       152.2838 
1 1 1 13  13 8  o 444.0166 90.19006 5.691477       1.958231  5.691477       1.958231  0.000000       0.000000  444.0166 90.19006 ?        ?        ?              ?        
1 1 1 13  13 9  o 307.3793 55.68909 2.232947       1.393234  -4.463899      2.359999  5.815498       1.726128  161.0651 79.54552 453.6936 77.95904 -292.6285      111.3782 
1 1 1 13  13 10 o 348.2005 74.74262 4.035897       1.533244  2.002379       2.726668  4.976215       1.854154  288.4465 117.8435 407.9545 91.97150 -119.5080      149.4852 
1 1 1 13  13 11 o 404.5998 79.25522 5.934183       1.736299  3.514593       3.399686  6.788017       2.019551  330.4641 132.8223 478.7355 86.50897 -148.2714      158.5104 
1 1 1 13  13 12 o 553.0569 89.90218 10.43027       2.190678  9.873629       2.512956  12.19253       4.471276  568.3798 90.35384 537.7340 155.4535 30.64575       179.8044 
1 1 1 13  13 13 o 299.2155 72.25694 3.121749       1.362030  3.762395       1.795074  2.252449       2.091020  332.0907 99.17854 266.3402 105.1089 65.75055       144.5139 
1 1 1 13  13 14 o 465.5059 83.12048 8.349841       1.937919  8.307428       3.115974  8.376594       2.474764  441.6053 130.3821 489.4065 103.1338 -47.80124      166.2410 
1 1 1 13  13 15 o 293.0693 100.9705 3.188457       1.815782  3.188457       1.815782  0.000000       0.000000  293.0693 100.9705 ?        ?        ?              ?        
1 1 1 13  13 16 o 249.7915 71.59378 2.296403       1.419179  1.696613       1.946679  2.976787       2.073348  229.4514 97.09677 270.1317 105.2373 -40.68024      143.1876 
1 1 1 13  14 0  o 581.8175 49.13628 8.967159       1.414255  8.125390       1.958093  9.885168       2.044843  552.1058 71.74891 611.5292 67.15347 -59.42340      98.27255 
1 1 1 13  14 1  o 477.2913 57.86333 6.230504       1.342994  6.819051       1.881305  5.618914       1.917781  502.9699 76.27386 451.6126 87.03423 51.35733       115.7267 
1 1 1 13  14 2  o 951.5005 40.86310 23.63988       1.957488  23.22272       2.809566  24.03341       2.728812  942.6234 59.17333 960.3776 56.37099 -17.75427      81.72620 
1 1 1 13  14 3  o 462.8158 66.42110 5.947878       1.502328  4.530851       2.025995  7.678824       2.239191  398.0062 100.5201 527.6254 86.84911 -129.6192      132.8422 
1 1 1 13  14 4  o 450.9846 57.89614 5.638151       1.263039  4.329531       1.748443  7.066267       1.826529  391.1478 90.14389 510.8214 72.67689 -119.6736      115.7923 
1 1 1 13  14 5  o 524.6388 56.80574 7.778945       1.414587  6.544207       2.164156  8.700014       1.869162  479.9419 92.42008 569.3357 66.07643 -89.39377      113.6115 
1 1 1 13  14 6  o 502.1584 76.04680 6.780550       1.615805  8.991940       3.469867  6.168241       1.825852  533.9046 129.6624 470.4121 79.49914 63.49249       152.0936 
1 1 1 13  14 7  f 500.6583 80.58879 8.896029       2.067696  4.094574       3.601743  11.25633       2.525282  366.1714 139.7335 635.1451 80.32912 -268.9738      161.1776 
1 1 1 13  14 8  o 323.4302 88.69488 2.948803       2.156741  3.971735       2.705205  1.164437       3.572884  354.6183 123.1822 292.2421 127.6451 62.37625       177.3898 
1 1 1 13  14 9  o 466.3336 68.36326 3.818980       1.808325  -0.3708789     2.103102  15.70188       3.541782  208.5639 94.06858 724.1033 99.22321 -515.5395      136.7265 
1 1 1 13  14 10 o 312.0854 82.21643 3.105514       1.766170  3.720618       2.034905  1.227137       3.555997  340.8469 106.3543 283.3239 125.4071 57.52301       164.4329 
1 1 1 13  14 11 o 276.8290 79.47760 1.763508       1.446601  3.435410       3.249825  1.350374       1.615474  319.3699 129.3335 234.2881 92.41004 85.08180       158.9552 
1 1 1 13  14 12 o 330.2929 70.79723 3.582244       1.464591  5.869524       2.090048  1.375465       2.052938  420.4991 99.69300 240.0866 100.5500 180.4125       141.5945 
1 1 1 13  14 13 o 201.5536 62.64069 0.4406334      1.250821  1.067219       1.770886  -0.1831901     1.766977  218.1603 92.47987 184.9468 84.51566 33.21355       125.2814 
1 1 1 13  14 14 o 176.3616 59.04202 -0.9602253     1.407137  -1.382232      2.035745  -0.5741346     1.947191  171.2986 82.06915 181.4247 84.90287 -10.12611      118.0840 
1 1 1 13  14 15 o 219.1688 94.18724 1.282638       1.882118  1.282638       1.882118  0.000000       0.000000  219.1688 94.18724 ?        ?        ?              ?        
1 1 1 13  14 16 o 347.5505 79.45085 4.658456       1.610942  9.358327       2.884155  2.527345       1.942131  447.1358 123.3812 247.9652 100.1340 199.1706       158.9017 
1 1 1 13  15 0  o 433.0676 56.85792 5.233105       1.190860  6.362579       1.670505  4.066014       1.698096  486.2025 69.87288 379.9327 89.71662 106.2698       113.7158 
1 1 1 13  15 1  o 793.0687 42.35381 16.55458       1.687382  17.09079       2.396672  16.02755       2.376098  806.2513 59.12811 779.8862 60.65680 26.36505       84.70762 
1 1 1 13  15 2  o 803.7372 43.87206 17.08487       1.766862  15.63575       2.473499  18.59464       2.524729  767.5213 64.24670 839.9530 59.76111 -72.43170      87.74411 
1 1 1 13  15 3  o 999.0052 40.87298 26.29995       2.048360  23.25326       2.869757  29.46433       2.924660  937.7713 60.77269 1060.239 54.67250 -122.4678      81.74596 
1 1 1 13  15 4  o 1055.667 49.97292 29.76075       2.543853  30.93377       4.274006  29.11724       3.165635  1062.790 80.02077 1048.543 59.88195 14.24646       99.94585 
1 1 1 13  15 5  o 211.1212 66.87776 -0.3523019     1.452482  -1.719820      2.568302  0.2907554      1.761182  208.8445 97.66271 213.3979 91.39220 -4.553391      133.7555 
1 1 1 13  15 6  o 327.8098 131.1046 2.857420       3.294439  2.857420       3.294439  0.000000       0.000000  327.8098 131.1046 ?        ?        ?              ?        
1 1 1 13  15 7  o 682.4915 123.1000 14.84577       4.096940  14.84577       4.096940  0.000000       0.000000  682.4915 123.1000 ?        ?        ?              ?        
1 1 1 13  15 8  o 250.1577 70.56429 1.415546       1.365440  0.8618060E-01  2.472785  1.998691       1.637768  233.2395 103.8379 267.0759 95.57698 -33.83632      141.1286 
1 1 1 13  15 9  o 267.1802 76.57566 1.185554       1.441577  0.4088478      1.666821  3.490931       2.871650  206.6469 88.71649 327.7136 124.8387 -121.0667      153.1513 
1 1 1 13  15 10 o 322.5726 74.84851 3.620907       1.478138  1.770251       2.946133  4.243479       1.708772  276.0986 118.2236 369.0467 91.82796 -92.94803      149.6970 
1 1 1 13  15 11 o 444.9744 67.40687 6.138886       1.453580  7.905361       2.326492  5.007751       1.861681  496.4561 96.03561 393.4926 94.61452 102.9635       134.8137 
1 1 1 13  15 12 o 326.5184 75.16337 3.999084       1.498636  2.816229       2.253098  4.937628       2.006974  280.1883 109.5522 372.8486 102.9390 -92.66031      150.3267 
1 1 1 13  15 13 o 193.1507 60.77636 0.1751314      1.195083  -0.6062228     1.564286  1.270519       1.852150  164.1674 76.58648 222.1340 94.39054 -57.96657      121.5527 
1 1 1 13  15 14 o 184.5880 59.85537 -0.3204908E-01 1.269002  -0.2797542     1.774747  0.2270814      1.815216  178.3046 82.63409 190.8714 86.61565 -12.56673      119.7107 
1 1 1 13  15 15 o 393.2827 72.79092 5.907725       1.436611  5.256346       1.828899  6.957164       2.321406  374.9067 95.95442 411.6585 109.4843 -36.75180      145.5818 
1 1 1 13  16 0  o 261.4268 64.32739 1.773513       1.057637  2.165774       1.456911  1.336477       1.537816  280.0589 90.31328 242.7948 91.62731 37.26418       128.6548 
1 1 1 13  16 1  o 648.6919 48.91846 11.43155       1.566596  12.08724       2.128173  10.65598       2.314544  672.5771 63.24288 624.8067 74.64852 47.77045       97.83692 
1 1 1 13  16 2  o 472.8260 81.73690 7.397707       1.751450  5.356853       3.793700  7.950530       1.974466  407.7105 145.5117 537.9415 74.49855 -130.2310      163.4738 
1 1 1 13  16 3  o 383.1859 81.36192 4.355407       1.587536  4.837858       3.030748  4.172979       1.863666  390.4300 130.5029 375.9419 97.20097 14.48810       162.7238 
1 1 1 13  16 4  o 801.9379 59.98364 18.14983       2.165105  18.28327       2.591407  17.84134       3.940139  824.9167 62.51460 778.9592 102.3918 45.95752       119.9673 
1 1 1 13  16 5  o 715.4484 51.79882 14.14582       1.830928  14.10803       2.430930  14.19537       2.783351  718.7314 67.60138 712.1655 78.50176 6.565918       103.5976 
1 1 1 13  16 6  o 185.7252 58.51091 -0.4454380     1.130492  0.4776782      1.678131  -1.212454      1.529677  211.7159 89.90224 159.7345 74.91122 51.98145       117.0218 
1 1 1 13  16 7  o 461.3606 90.88193 7.052497       2.098411  6.437344       2.544183  8.361349       3.711094  446.1098 112.6302 476.6113 142.6623 -30.50146      181.7639 
1 1 1 13  16 8  o 411.5372 91.88430 5.169332       1.865975  0.000000       0.000000  5.169332       1.865975  ?        ?        411.5372 91.88430 ?              ?        
1 1 1 13  16 9  o 193.6162 65.98528 -1.990610      1.755393  -1.322868      2.035570  -3.927816      3.467124  181.8777 85.64766 205.3547 100.4027 -23.47699      131.9706 
1 1 1 13  16 10 o 259.6893 70.45051 1.866768       1.252105  2.806413       2.120803  1.363995       1.551331  290.0076 107.9700 229.3709 90.52943 60.63670       140.9010 
1 1 1 13  16 11 o 415.7195 87.07196 6.418265       1.847327  5.438448       2.214371  8.661145       3.350278  385.4229 108.7503 446.0161 136.0128 -60.59320      174.1439 
1 1 1 13  16 12 f 318.2137 73.26150 3.571060       1.452973  5.998705       2.245856  1.823522       1.905472  396.5845 108.6471 239.8428 98.30967 156.7417       146.5230 
1 1 1 13  16 13 o 381.4928 73.30000 5.596292       1.463906  6.022463       1.985382  5.088547       2.167083  408.7933 97.32961 354.1923 109.6290 54.60095       146.6000 
1 1 1 13  16 14 o 314.5823 77.00505 4.267916       1.488873  4.202204       1.947523  4.360338       2.309658  319.6962 104.5151 309.4684 113.1181 10.22781       154.0101 
1 1 1 13  16 15 o 172.1600 80.87773 -0.1795026     1.796159  0.000000       0.000000  -0.1795026     1.796159  ?        ?        172.1600 80.87773 ?              ?        
1 1 1 13  17 0  o 323.3168 84.66702 1.939686       1.527356  5.619682       3.525942  1.089664       1.694597  410.5904 140.7438 236.0432 94.15522 174.5472       169.3340 
1 1 1 13  17 1  o 478.6538 74.72124 6.380827       1.751552  6.380827       1.751552  0.000000       0.000000  478.6538 74.72124 ?        ?        ?              ?        
1 1 1 13  17 2  o 296.5974 77.03011 2.490797       1.471169  2.879652       1.685337  1.245847       3.015566  312.2108 96.68593 280.9839 119.9432 31.22690       154.0602 
1 1 1 13  17 3  o 424.0899 63.45385 5.704807       1.418064  2.113807       2.076447  8.843455       1.941263  281.6955 106.4319 566.4843 69.12170 -284.7888      126.9077 
1 1 1 13  17 4  o 351.5995 73.97350 3.831645       1.406137  3.760622       1.866562  3.924839       2.138148  349.9116 100.2327 353.2873 108.8197 -3.375671      147.9470 
1 1 1 13  17 5  o 283.1256 68.62335 1.966166       1.278763  0.5424426      1.679951  3.927511       1.971791  212.6588 90.10683 353.5924 103.5250 -140.9336      137.2467 
1 1 1 13  17 6  o 229.6883 68.23122 0.9078372      1.292895  0.2177314      2.392693  1.192429       1.536527  230.6494 102.4421 228.7272 90.15330 1.922180       136.4624 
1 1 1 13  17 7  o 329.2562 88.89763 3.329841       1.861439  2.794411       2.157663  4.888143       3.680935  298.4690 109.2970 360.0435 140.2331 -61.57443      177.7953 
1 1 1 13  17 8  o 328.3269 66.29478 3.933026       1.476657  -0.6794945     2.870794  5.592452       1.721915  224.5594 104.4221 432.0944 81.70685 -207.5350      132.5896 
1 1 1 13  17 9  o 422.9753 71.19476 5.255872       1.424020  8.453545       2.618600  3.913144       1.696861  500.1183 106.6764 345.8323 94.31290 154.2860       142.3895 
1 1 1 13  17 10 o 279.1013 84.68667 2.345919       1.913303  1.589555       2.223030  4.507163       3.757783  243.1757 103.3727 315.0270 134.1693 -71.85126      169.3733 
1 1 1 13  17 11 o 172.5553 56.56787 -0.3702688     1.158793  -0.8820990     1.922106  -0.7801691E-01 1.452423  174.2551 82.41142 170.8555 77.51163 3.399582       113.1357 
1 1 1 13  17 12 o 209.0156 64.80651 0.6193419      1.321589  2.211064       2.073293  -0.4700619     1.715226  247.0314 102.0444 170.9998 79.91549 76.03160       129.6130 
1 1 1 13  17 13 o 396.8441 74.62850 6.146613       1.513248  5.412021       1.987451  7.159934       2.334247  371.9432 102.3337 421.7450 108.6529 -49.80179      149.2570 
1 1 1 13  17 14 o 427.2101 76.62672 7.144975       1.607586  5.517290       1.975006  10.34063       2.767343  365.0350 102.6017 489.3852 113.8398 -124.3502      153.2534 
1 1 1 13  18 0  o 299.1669 79.78802 2.101886       1.220748  1.902234       1.305022  3.499666       3.453039  259.2069 85.59488 339.1270 134.6775 -79.92004      159.5760 
1 1 1 13  18 1  o 282.3815 65.87714 2.185968       1.090303  1.558215       1.401072  3.149813       1.736080  243.0374 88.21393 321.7256 97.86469 -78.68825      131.7543 
1 1 1 13  18 2  o 260.3367 59.17449 1.676148       1.062985  3.374758       1.459880  -0.2406568     1.550813  337.2024 85.41833 183.4710 81.91575 153.7314       118.3490 
1 1 1 13  18 3  o 506.8450 58.69879 7.321251       1.438889  6.394034       1.876248  8.645279       2.242065  468.7915 82.04322 544.8984 83.97085 -76.10693      117.3976 
1 1 1 13  18 4  o 356.7715 71.96587 3.980426       1.384458  3.044056       1.876372  5.099322       2.051116  311.4605 102.6254 402.0826 100.9177 -90.62201      143.9317 
1 1 1 13  18 5  o 254.3785 64.99698 1.674022       1.224455  -0.1983326     1.920339  2.956780       1.589484  200.4514 90.19720 308.3055 93.61034 -107.8541      129.9940 
1 1 1 13  18 6  o 531.8629 73.96699 8.167760       1.937773  0.000000       0.000000  8.167760       1.937773  ?        ?        531.8629 73.96699 ?              ?        
1 1 1 13  18 7  o 292.2949 66.87962 2.641661       1.160569  3.699492       1.729183  1.774540       1.565571  336.8732 96.46658 247.7166 92.65924 89.15662       133.7592 
1 1 1 13  18 8  o 257.7778 64.23958 1.937561       1.164663  0.4449040      1.699632  3.258901       1.599123  201.5721 88.04048 313.9836 93.57225 -112.4114      128.4792 
1 1 1 13  18 9  o 222.5547 69.62634 0.3181262      1.264657  2.938614       2.767979  -0.3732064     1.421724  280.9229 117.1261 164.1864 75.31784 116.7365       139.2527 
1 1 1 13  18 10 f 246.6645 76.98207 1.805659       1.619615  1.695762       1.788677  2.305955       3.816396  232.6966 95.29960 260.6324 120.9254 -27.93579      153.9641 
1 1 1 13  18 11 o 238.8358 67.67530 1.612264       1.281124  3.546348       2.042770  0.3583789      1.644791  291.5102 106.4081 186.1614 83.64873 105.3488       135.3506 
1 1 1 13  18 12 o 380.0136 77.10143 6.036674       1.564766  5.837130       2.302189  6.208012       2.133278  365.3474 112.9803 394.6799 104.9474 -29.33249      154.2029 
1 1 1 13  18 13 o 183.0939 59.58698 0.3104567      1.239237  0.2933708      1.559185  0.3397626      2.042001  176.1057 80.05363 190.0821 88.28277 -13.97639      119.1740 
1 1 1 13  19 0  o 455.4473 55.26108 6.135468       1.202114  6.996778       1.616913  5.071048       1.797479  501.1889 65.27260 409.7056 89.18877 91.48337       110.5222 
1 1 1 13  19 1  o 308.2302 65.11611 3.080346       1.159293  3.805062       1.435432  1.720986       1.965921  358.1121 81.06177 258.3483 101.9285 99.76382       130.2322 
1 1 1 13  19 2  o 257.1971 65.49574 1.918977       1.109914  2.313824       1.395091  1.238078       1.832018  276.8303 88.28271 237.5639 96.77255 39.26636       130.9915 
1 1 1 13  19 3  f 285.1959 68.05829 2.472023       1.136369  2.311230       1.428025  2.749643       1.876407  275.5189 89.46841 294.8729 102.5823 -19.35400      136.1166 
1 1 1 13  19 4  o 255.0334 67.87110 1.831248       1.186320  2.206578       1.788489  1.536371       1.585255  270.1526 99.42031 239.9142 92.42049 30.23836       135.7422 
1 1 1 13  19 5  o 263.3027 69.46247 1.786627       1.197296  3.264393       2.091808  1.066605       1.460131  310.1509 108.2870 216.4544 87.02914 93.69647       138.9249 
1 1 1 13  19 6  o 328.4313 72.55460 3.480403       1.377249  5.288366       2.149005  2.220257       1.794127  391.3617 105.8909 265.5010 99.21593 125.8607       145.1092 
1 1 1 13  19 7  o 256.8603 70.18775 1.826172       1.234573  3.207545       2.170611  1.165614       1.501004  297.0902 109.4982 216.6304 87.83744 80.45979       140.3755 
1 1 1 13  19 8  o 198.2586 61.77142 0.4718904      1.237882  -1.671880      2.466817  1.193421       1.431117  184.3489 88.83160 212.1684 85.85908 -27.81953      123.5428 
1 1 1 13  19 9  o 247.9151 63.27235 1.980147       1.164523  0.3060852      1.709507  3.429561       1.590674  188.7830 85.00980 307.0472 93.73845 -118.2642      126.5447 
1 1 1 13  19 10 o 339.6761 74.21029 5.729760       1.748789  2.106483       3.773097  6.721077       1.973575  245.5572 115.9286 433.7950 92.67812 -188.2378      148.4206 
1 1 1 13  19 11 o 188.1558 64.81675 -1.003291      1.874552  -0.1797022     2.113859  -4.035426      4.055974  185.3599 87.28494 190.9516 95.84457 -5.591705      129.6335 
1 1 1 13  19 12 o 235.7770 69.61914 2.244817       1.366983  2.727392       2.134079  1.909046       1.780119  246.9381 102.8906 224.6159 93.81268 22.32220       139.2383 
1 1 1 13  19 13 o 244.2150 70.01507 2.850087       1.334921  2.758989       1.680962  3.005641       2.196555  246.7249 95.13435 241.7051 102.7516 5.019791       140.0301 
1 1 1 13  20 0  o 156.3624 51.09775 -0.4541850     0.8511419 -0.2184127     0.9783721 -1.187973      1.726009  144.8925 64.85052 167.8323 78.98309 -22.93977      102.1955 
1 1 1 13  20 1  o 246.5915 61.20005 1.825781       1.003408  2.382747       1.218292  0.6511700      1.769229  279.5405 81.24091 213.6424 91.55162 65.89813       122.4001 
1 1 1 13  20 2  f 292.9653 65.80901 2.501780       1.064167  1.846373       1.309475  3.776468       1.826182  248.4386 85.73686 337.4920 99.86237 -89.05338      131.6180 
1 1 1 13  20 3  o 231.2929 59.57228 1.286682       1.047395  2.606390       1.404982  -0.3642566     1.571438  286.7198 88.19394 175.8660 80.10777 110.8538       119.1446 
1 1 1 13  20 4  o 306.5053 69.55295 3.220950       1.250463  2.570632       1.940118  3.683082       1.635492  278.3392 103.3389 334.6714 93.12103 -56.33215      139.1059 
1 1 1 13  20 5  o 181.3168 58.68172 -0.2475238     1.152726  -0.1831918     1.975249  -0.2807491     1.419522  194.9266 89.18270 167.7071 76.29302 27.21950       117.3634 
1 1 1 13  20 6  o 370.2016 71.55831 4.873425       1.368303  5.034390       2.121650  4.758800       1.790394  367.6700 107.3128 372.7332 94.69073 -5.063232      143.1166 
1 1 1 13  20 7  o 287.4595 68.91399 2.785327       1.180474  4.340378       1.965435  1.907796       1.476446  335.7012 104.4862 239.2178 89.88432 96.48335       137.8280 
1 1 1 13  20 8  o 216.5571 63.75660 1.406446       1.161908  1.614133       1.602946  1.176511       1.686616  223.2820 90.68842 209.8322 89.63942 13.44981       127.5132 
1 1 1 13  20 9  o 192.5173 59.79952 0.7116873      1.121772  0.2575489      1.508781  1.273032       1.677439  176.0230 79.50751 209.0116 89.34475 -32.98860      119.5990 
1 1 1 13  20 10 o 175.8807 78.54615 0.4259314      1.426792  0.000000       0.000000  0.4259314      1.426792  ?        ?        175.8807 78.54615 ?              ?        
1 1 1 13  20 11 o 323.4277 80.84658 6.635375       2.255039  8.512630       2.631499  1.446037       4.375196  422.7359 118.2967 224.1195 110.2297 198.6164       161.6932 
1 1 1 13  20 12 o 187.6697 60.75707 0.4766598      1.281110  2.248427       2.040732  -0.6757392     1.645827  222.1160 96.75688 153.2235 73.51049 68.89247       121.5141 
1 1 1 13  21 0  f 171.3008 52.48573 0.1301746      0.8842660 0.8072977      1.026564  -1.817033      1.740838  187.5778 73.76723 155.0237 74.68201 32.55417       104.9715 
1 1 1 13  21 1  o 251.2867 62.28331 2.020062       0.9948182 2.334418       1.212064  1.371161       1.741421  272.1347 81.54735 230.4388 94.16408 41.69594       124.5666 
1 1 1 13  21 2  o 202.3752 57.06055 1.002746       0.8718567 1.201261       1.071981  0.6148416      1.498485  207.6900 76.87280 197.0604 84.34571 10.62958       114.1211 
1 1 1 13  21 3  o 419.6917 84.49825 7.356860       1.826727  7.487282       2.033177  6.810717       4.160573  484.0845 86.11631 355.2990 145.4091 128.7856       168.9965 
1 1 1 13  21 4  o 271.4801 68.11670 2.566186       1.164407  2.799624       1.783461  2.392748       1.537271  278.7989 99.74126 264.1612 92.79665 14.63770       136.2334 
1 1 1 13  21 5  o 268.6169 67.01983 2.641068       1.208858  1.589906       1.884567  3.375954       1.575749  230.0588 96.34335 307.1749 93.19115 -77.11612      134.0397 
1 1 1 13  21 6  o 480.8053 61.02907 7.816874       1.430311  8.182239       2.057628  7.475263       1.989615  492.8772 85.56377 468.7334 87.04613 24.14377       122.0581 
1 1 1 13  21 7  f 256.4191 68.48105 2.530866       1.203010  3.209901       1.872355  2.053466       1.569943  276.6690 101.7388 236.1691 91.69427 40.49989       136.9621 
1 1 1 13  21 8  o 188.5866 63.10728 0.2250870      1.385626  0.6518336      1.481832  -2.744958      3.909269  183.6975 81.14962 193.4757 96.66878 -9.778152      126.2146 
1 1 1 13  21 9  o 197.7421 57.29325 0.1621861      1.032542  3.097922       1.677485  -1.628572      1.310143  269.9465 96.71572 125.5376 61.45028 144.4089       114.5865 
1 1 1 13  21 10 o 217.8170 63.59430 1.730026       1.148050  2.656305       1.734828  1.008314       1.531325  245.1689 96.05550 190.4650 83.36834 54.70390       127.1886 
1 1 1 13  21 11 o 197.4491 66.00207 1.118977       1.513297  1.453755       3.661279  1.050001       1.661897  206.9111 101.5784 187.9871 84.30254 18.92404       132.0041 
1 1 1 13  22 0  o 178.5582 54.45944 0.3874868      0.8288736 0.1766180      0.9921564 0.8747140      1.508133  155.3986 67.58091 201.7178 85.41746 -46.31924      108.9189 
1 1 1 13  22 1  o 181.4768 50.62240 0.4720250      0.8499383 1.616529       1.036570  -1.876242      1.484786  226.4090 76.31795 136.5446 66.52879 89.86441       101.2448 
1 1 1 13  22 2  o 269.8864 95.83072 2.663418       1.643411  0.000000       0.000000  2.663418       1.643411  ?        ?        269.8864 95.83072 ?              ?        
1 1 1 13  22 3  o 293.0456 81.73692 3.274694       1.439550  2.921061       1.539201  5.743530       4.066914  281.6218 92.95608 304.4694 134.4725 -22.84763      163.4738 
1 1 1 13  22 4  o 304.3911 65.45265 3.440262       1.097515  3.088077       1.489321  3.858815       1.623598  288.2132 91.14172 320.5691 93.96482 -32.35593      130.9053 
1 1 1 13  22 5  o 274.9268 80.66677 3.482792       1.660410  3.147978       1.836152  4.984959       3.889247  273.1075 100.7019 276.7462 126.0462 -3.638702      161.3335 
1 1 1 13  22 6  o 187.9256 62.91632 0.2243370      1.411084  0.7036600      1.511001  -3.044577      3.945958  185.0927 81.84617 190.7585 95.57751 -5.665756      125.8326 
1 1 1 13  22 7  o 148.6023 51.88018 -1.181295      1.101376  -3.610099      2.898920  -0.7715705     1.190655  163.3975 81.87641 133.8070 63.73746 29.59044       103.7604 
1 1 1 13  22 8  o 182.6521 56.05131 0.7656955      1.005091  -0.8937992E-01 1.512592  1.441743       1.344956  162.0012 75.48689 203.3029 82.87778 -41.30173      112.1026 
1 1 1 13  22 9  o 164.6381 53.63371 -0.4587841     1.040104  1.654226       1.665134  -1.810695      1.331903  207.4451 88.85459 121.8311 60.09295 85.61395       107.2674 
1 1 1 13  22 10 o 154.0006 50.78521 -0.6525145E-01 1.006024  -1.281747      1.706940  0.5822139      1.245292  143.1245 70.07645 164.8768 73.52441 -21.75226      101.5704 
1 1 1 13  23 0  o 314.4878 66.22916 3.850325       1.172902  4.562762       1.599666  3.022004       1.724867  355.6135 89.04957 273.3621 98.05807 82.25137       132.4583 
1 1 1 13  23 1  o 323.1008 65.73904 4.018155       1.146152  4.388336       1.557794  3.581256       1.692361  347.9445 88.28924 298.2571 97.42432 49.68738       131.4781 
1 1 1 13  23 2  o 191.1172 55.38380 0.9521090      0.8147762 0.6522473      1.000227  1.543522       1.404700  169.1219 70.45142 213.1124 85.47549 -43.99045      110.7676 
1 1 1 13  23 3  o 178.3898 51.99385 0.6293186      0.8697699 1.577313       1.104941  -0.9149656     1.410262  213.5805 78.21383 143.1991 68.52765 70.38145       103.9877 
1 1 1 13  23 4  o 160.6661 46.97520 -0.4681661     0.8434861 1.710733       1.102440  -3.544575      1.309961  218.9489 78.40942 102.3833 51.75559 116.5656       93.95040 
1 1 1 13  23 5  o 225.1147 61.21567 1.943502       1.081653  0.7149394      1.640457  2.888451       1.438701  184.2771 83.10046 265.9524 89.90966 -81.67532      122.4313 
1 1 1 13  23 6  o 217.0590 63.56035 1.835118       1.130157  2.431815       1.744534  1.403594       1.483559  233.7308 94.72181 200.3872 84.77883 33.34355       127.1207 
1 1 1 13  23 7  o 212.8852 65.83640 1.912985       1.361902  -0.5836812     3.951077  2.249615       1.450814  195.2019 97.47967 230.5686 88.51801 -35.36667      131.6728 
1 1 1 13  23 8  o 200.7406 57.48044 1.317408       1.040841  -0.3048602     1.527752  2.722638       1.421887  153.1116 72.72154 248.3697 89.03696 -95.25812      114.9609 
1 1 1 13  23 9  f 140.5510 47.04419 -0.7792162     0.9999147 -3.637111      1.732247  0.6488814      1.224519  117.7131 59.50587 163.3888 72.88123 -45.67570      94.08837 
1 1 1 13  24 0  o 213.4771 86.96466 1.727588       1.479571  0.000000       0.000000  1.727588       1.479571  ?        ?        213.4771 86.96466 ?              ?        
1 1 1 13  24 1  o 214.9036 54.46153 1.571788       0.9130226 2.784882       1.196092  -0.1220203     1.413349  273.0503 80.82434 156.7569 73.01822 116.2935       108.9231 
1 1 1 13  24 2  o 194.6817 65.08249 0.7061465      1.300160  2.242940       3.302965  0.4243616      1.414344  219.9980 105.1697 169.3654 76.69582 50.63269       130.1650 
1 1 1 13  24 3  o 201.1357 70.02514 0.5180565      2.516402  0.9510971      3.201597  -0.1818344     4.070217  202.8613 98.57999 199.4102 99.47897 3.451111       140.0503 
1 1 1 13  24 4  o 208.6003 67.99546 1.344975       1.157785  1.057406       1.216570  4.106769       3.770173  183.0852 77.07755 234.1155 112.0383 -51.03027      135.9909 
1 1 1 13  24 5  o 189.8736 62.81260 0.9842483      1.242837  1.087581       1.306450  0.4083854E-05  4.032044  183.9444 78.74449 195.8027 97.88257 -11.85834      125.6252 
1 1 1 13  24 6  o 209.7004 69.74545 0.4977465      1.411296  -0.9878367     1.569425  6.775457       3.226211  141.9849 69.00253 277.4159 121.2285 -135.4310      139.4909 
1 1 1 13  24 7  o 205.2447 66.78954 1.789872       1.250783  4.382787       3.793868  1.473673       1.324854  218.8365 106.5629 191.6528 80.54635 27.18370       133.5791 
1 1 1 13  24 8  f 130.1637 45.29138 -1.111810      0.9300529 -0.1701099     1.624720  -1.570796      1.134284  150.6575 72.47366 109.6699 54.33973 40.98759       90.58276 
1 1 1 13  25 0  f 184.8246 56.18515 1.112268       0.9499083 0.8128707      1.309612  1.444659       1.379887  173.9435 76.59232 195.7058 82.22348 -21.76227      112.3703 
1 1 1 13  25 1  o 179.4706 57.64294 0.7738526      1.220603  -2.822492      2.974674  1.501971       1.338473  161.6335 81.25133 197.3076 81.78665 -35.67403      115.2859 
1 1 1 13  25 2  o 156.5925 66.56140 0.4709416      0.9058725 0.6097538      0.9215438 -3.506626      4.932997  156.5925 66.56140 ?        ?        ?              ?        
1 1 1 13  25 3  o 227.3188 78.18034 5.038384       2.913143  6.437572       3.937400  3.346130       4.330164  243.4457 115.9471 211.1918 104.9044 32.25386       156.3607 
1 1 1 13  25 4  o 154.5772 54.41452 -0.1432801     0.8637941 -0.1207208     0.8861855 -0.5728468     3.867031  127.2393 58.76474 181.9150 91.59948 -54.67571      108.8290 
1 1 1 13  25 5  o 161.3827 56.35910 0.2966393E-02  1.118019  0.1990465E-01  1.164310  -0.1974353     4.004837  142.2280 66.25830 180.5374 91.18787 -38.30942      112.7182 
1 1 1 13  25 6  o 335.8433 99.11603 4.551746       1.657470  5.816692       1.801042  -2.446756      4.236336  335.8433 99.11603 ?        ?        ?              ?        
1 1 1 13  26 0  o 256.7050 62.71684 3.439297       1.199331  4.853245       1.573564  1.479389       1.852616  326.6208 91.50446 186.7892 85.79359 139.8317       125.4337 
1 1 1 13  26 1  o 211.1986 61.29359 2.266343       1.074230  2.511305       1.384017  1.895147       1.703705  226.2550 86.55267 196.1422 86.81159 30.11282       122.5872 
1 1 1 13  26 2  o 160.3229 69.74126 0.7543104      1.034096  0.7883402      1.057169  0.1388707E-03  4.976797  160.3229 69.74126 ?        ?        ?              ?        
1 1 1 13  26 3  o 198.2813 49.23875 1.568308       0.8297791 2.777723       1.026861  -0.7074469     1.408597  263.0877 73.99438 133.4749 64.98191 129.6127       98.47749 
1 1 1 13  26 4  o 182.0731 63.16507 1.140219       1.274835  7.065067       3.973925  0.4605282      1.345974  212.3805 104.5711 151.7657 70.88152 60.61485       126.3301 
1 1 1 13  27 0  o 141.9373 63.03963 0.3393773      0.8821766 -3.296625      3.871146  0.5385439      0.9060157 ?        ?        141.9373 63.03963 ?              ?        
1 1 1 13  27 1  o 122.4695 42.96767 -1.081557      0.9042470 -1.587920      1.113779  -0.1023858     1.548807  104.3444 52.05135 140.5947 68.37793 -36.25030      85.93535 
1 1 1 14  0  0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14  0  1  o 857.2810 62.76961 19.40063       3.758146  19.40063       3.758146  19.40063       3.758146  857.2810 88.76963 857.2810 88.76963 0.000000       0.000000 
1 1 1 14  0  2  o 1680.891 41.91404 72.17801       5.030039  72.17801       5.030039  72.17801       5.030039  1680.891 59.27540 1680.891 59.27540 0.000000       0.000000 
1 1 1 14  0  3  o 316.3728 100.2427 3.760004       2.420832  3.760004       2.420832  3.760004       2.420832  316.3728 141.7646 316.3728 141.7646 0.000000       0.000000 
1 1 1 14  0  4  o 835.1504 66.66163 18.58794       3.855187  18.58794       3.855187  18.58794       3.855187  835.1504 94.27378 835.1504 94.27378 0.000000       0.000000 
1 1 1 14  0  5  o 689.2029 67.44254 12.89300       3.146132  12.89300       3.146132  12.89300       3.146132  689.2029 95.37814 689.2029 95.37814 0.000000       0.000000 
1 1 1 14  0  6  o 431.8542 105.6509 6.348958       2.945115  6.348958       2.945115  6.348958       2.945115  431.8542 149.4129 431.8542 149.4129 0.000000       0.000000 
1 1 1 14  0  7  o 340.6177 109.8741 4.496539       2.911760  4.496539       2.911760  4.496539       2.911760  340.6177 155.3854 340.6177 155.3854 0.000000       0.000000 
1 1 1 14  0  8  o 351.2952 83.22343 4.138792       1.867888  4.138792       1.867888  4.138792       1.867888  351.2952 117.6957 351.2952 117.6957 0.000000       0.000000 
1 1 1 14  0  9  o 247.1620 84.60262 2.404592       1.746135  2.404592       1.746135  2.404592       1.746135  247.1620 119.6462 247.1620 119.6462 0.000000       0.000000 
1 1 1 14  0  10 o 112.6364 55.70452 -1.554121      1.666849  -1.554121      1.666849  -1.554121      1.666849  112.6364 78.77808 112.6364 78.77808 0.000000       0.000000 
1 1 1 14  0  11 o 208.3342 81.22894 1.714204       1.760746  1.714204       1.760746  1.714204       1.760746  208.3342 114.8751 208.3342 114.8751 0.000000       0.000000 
1 1 1 14  0  12 o 151.8491 69.06033 0.2418973      1.721244  0.2418973      1.721244  0.2418973      1.721244  151.8491 97.66606 151.8491 97.66606 0.000000       0.000000 
1 1 1 14  0  13 o 115.4624 56.30863 -0.9769673     1.553890  -0.9769673     1.553890  -0.9769673     1.553890  115.4624 79.63242 115.4624 79.63242 0.000000       0.000000 
1 1 1 14  0  14 o 162.5361 75.03077 0.2801713      2.138071  0.2801713      2.138071  0.2801713      2.138071  162.5361 106.1095 162.5361 106.1095 0.000000       0.000000 
1 1 1 14  0  15 o 165.9180 80.42748 -0.6093805     3.060441  -0.6093805     3.060441  -0.6093805     3.060441  165.9180 113.7416 165.9180 113.7416 0.000000       0.000000 
1 1 1 14  0  16 o 170.2734 75.18826 1.098816       1.874631  1.098816       1.874631  1.098816       1.874631  170.2734 106.3323 170.2734 106.3323 0.000000       0.000000 
1 1 1 14  0  17 o 135.0199 64.71660 -0.2024385     1.866305  -0.2024385     1.866305  -0.2024385     1.866305  135.0199 91.52309 135.0199 91.52309 0.000000       0.000000 
1 1 1 14  0  18 o 261.4674 106.3588 5.098565       3.187768  5.098565       3.187768  5.098565       3.187768  261.4674 150.4140 261.4674 150.4140 0.000000       0.000000 
1 1 1 14  1  0  o 539.6504 84.67167 7.685787       2.237180  7.685787       2.237180  0.000000       0.000000  539.6504 84.67167 ?        ?        ?              ?        
1 1 1 14  1  1  o 837.7683 57.87797 18.01922       2.439774  18.01922       2.439774  0.000000       0.000000  837.7683 57.87797 ?        ?        ?              ?        
1 1 1 14  1  2  o 1075.253 50.59291 29.70003       2.572459  29.42159       3.137458  30.27117       4.493529  1071.106 58.07482 1079.400 82.86064 -8.294067      101.1858 
1 1 1 14  1  3  o 2300.490 68.41344 138.0440       7.967171  137.9780       11.34321  138.1084       11.19286  2299.464 97.43742 2301.517 96.06010 -2.053711      136.8269 
1 1 1 14  1  4  f 821.1472 52.26980 17.01832       2.106858  15.13623       2.674774  20.09477       3.419735  763.7413 69.95345 878.5530 77.68554 -114.8117      104.5396 
1 1 1 14  1  5  f 955.0320 51.39694 24.11445       2.312137  22.34584       3.940824  25.04285       2.855215  923.2230 85.27710 986.8409 57.39684 -63.61792      102.7939 
1 1 1 14  1  6  o 447.0839 119.0439 5.556953       2.742442  0.000000       0.000000  5.556953       2.742442  ?        ?        447.0839 119.0439 ?              ?        
1 1 1 14  1  7  o 319.6920 79.85587 2.176416       1.474422  1.668230       1.727061  3.542302       2.831414  270.5937 97.98233 368.7903 126.1241 -98.19656      159.7117 
1 1 1 14  1  8  o 701.2834 69.49426 14.71380       2.067538  16.82842       2.509923  10.24990       3.646708  803.4332 62.19038 599.1338 124.2987 204.2994       138.9885 
1 1 1 14  1  9  o 182.5576 54.09826 -0.2218493     0.9366901 -1.618586      1.374700  0.9886070      1.279750  144.7810 68.82868 220.3342 83.48113 -75.55327      108.1965 
1 1 1 14  1  10 o 438.7398 64.20575 5.772875       1.418560  8.523526       1.946437  2.656765       2.071711  563.7875 69.67604 313.6921 107.8646 250.0954       128.4115 
1 1 1 14  1  11 o 532.1405 60.60464 7.864361       1.539439  5.590030       2.090286  10.56008       2.275705  440.5230 96.40247 623.7580 73.47281 -183.2350      121.2093 
1 1 1 14  1  12 o 282.1413 67.09117 1.909541       1.314587  -0.1608062     1.928503  3.706567       1.796701  209.4320 92.54395 354.8505 97.16233 -145.4185      134.1823 
1 1 1 14  1  13 o 469.7585 69.79368 6.435505       1.570494  5.938108       1.989366  7.258243       2.558550  451.3138 90.22061 488.2031 106.5123 -36.88922      139.5874 
1 1 1 14  1  14 o 410.3695 97.64153 5.171349       1.999164  0.000000       0.000000  5.171349       1.999164  ?        ?        410.3695 97.64153 ?              ?        
1 1 1 14  1  15 f 378.0428 87.23125 4.749177       1.748222  4.128877       2.031142  6.522200       3.433968  351.8549 105.5933 404.2308 138.8784 -52.37589      174.4625 
1 1 1 14  1  16 o 224.4028 66.67022 1.041292       1.282140  0.8672339      1.768777  1.234013       1.861191  217.3863 92.30357 231.4193 96.22746 -14.03299      133.3404 
1 1 1 14  1  17 o 203.2403 65.04169 -0.3963106     1.496227  -1.996409      2.061527  1.384784       2.175000  167.3235 80.76915 239.1571 101.9707 -71.83362      130.0834 
1 1 1 14  1  18 o 208.3201 65.62325 0.6263539      1.412445  1.107500       1.947711  0.9266261E-01  2.051310  218.9512 94.95282 197.6889 90.60686 21.26227       131.2465 
1 1 1 14  2  0  o 1226.354 52.11413 40.43015       2.964410  43.71164       3.648093  34.05150       5.086206  1308.544 55.06732 1144.164 88.49362 164.3794       104.2283 
1 1 1 14  2  1  o 1540.891 49.39822 60.34595       3.652215  58.87286       4.485561  63.24334       6.290821  1517.507 58.38515 1564.275 79.69888 -46.76794      98.79644 
1 1 1 14  2  2  o 479.5739 71.70768 5.931213       1.629736  5.179234       2.015036  7.353447       2.771183  438.5374 93.60934 520.6104 108.6520 -82.07303      143.4154 
1 1 1 14  2  3  o 748.1378 67.66502 14.49433       2.535150  14.49433       2.535150  0.000000       0.000000  748.1378 67.66502 ?        ?        ?              ?        
1 1 1 14  2  4  o 319.5693 85.62908 2.014046       1.920260  1.367633       2.699764  2.675909       2.731836  298.4089 118.9026 340.7298 123.2540 -42.32092      171.2582 
1 1 1 14  2  5  o 759.3401 65.53426 16.94658       2.076252  11.70917       3.761635  19.24127       2.489887  654.1387 117.9236 864.5414 57.21001 -210.4027      131.0685 
1 1 1 14  2  6  o 664.0871 67.05394 11.49247       2.223536  0.000000       0.000000  11.49247       2.223536  ?        ?        664.0871 67.05394 ?              ?        
1 1 1 14  2  7  o 1200.234 49.91313 36.34679       2.878583  41.44513       5.002284  33.82261       3.519763  1257.095 79.00066 1143.372 61.02605 113.7239       99.82626 
1 1 1 14  2  8  o 1081.189 52.30861 30.26106       2.673308  29.32993       3.246453  32.22235       4.711662  1062.353 60.61227 1100.025 85.26967 -37.67261      104.6172 
1 1 1 14  2  9  o 554.4785 52.16978 8.272938       1.418205  7.870581       2.090549  8.615978       1.930310  539.6259 78.84839 569.3311 68.33502 -29.70526      104.3396 
1 1 1 14  2  10 o 739.8948 46.01194 14.36086       1.695438  12.57751       2.272465  16.59982       2.546248  687.7946 66.07431 791.9949 64.05140 -104.2003      92.02389 
1 1 1 14  2  11 o 224.0118 66.60933 0.4833844      1.271294  0.3120016      1.683521  0.7107852      1.939237  211.8067 89.99640 236.2169 98.22352 -24.41023      133.2187 
1 1 1 14  2  12 o 252.0809 69.83098 1.332180       1.325001  0.5679384      2.028027  1.901366       1.750192  233.4840 98.97066 270.6779 98.54072 -37.19394      139.6620 
1 1 1 14  2  13 o 364.9955 72.76263 3.847934       1.363339  3.177285       1.699481  5.058692       2.283482  326.3863 96.26842 403.6048 109.1329 -77.21857      145.5253 
1 1 1 14  2  14 o 368.8661 80.39301 4.704371       1.685408  3.047173       3.246164  5.315966       1.972038  320.3362 129.4230 417.3960 95.40349 -97.05975      160.7860 
1 1 1 14  2  15 o 614.5479 57.86118 11.28640       1.727171  12.51957       2.374930  9.901967       2.516381  660.4186 72.20749 568.6772 90.43087 91.74133       115.7224 
1 1 1 14  2  16 f 415.8812 87.29086 6.467192       1.861580  6.237610       2.165918  7.116290       3.641901  432.5668 100.7736 399.1956 142.5603 33.37119       174.5817 
1 1 1 14  2  17 o 674.2753 58.91734 14.27511       1.891538  16.86870       2.596076  11.34009       2.761674  760.9230 68.11007 587.6277 96.15628 173.2953       117.8347 
1 1 1 14  2  18 f 284.3634 76.29664 3.013021       1.488275  2.254526       1.901415  4.212693       2.391287  253.3685 100.1538 315.3583 115.1257 -61.98981      152.5933 
1 1 1 14  3  0  o 1690.239 52.76580 74.82798       4.231965  77.47633       5.221955  69.76023       7.223598  1740.628 59.25754 1639.851 87.32388 100.7766       105.5316 
1 1 1 14  3  1  o 1956.333 53.41721 97.53755       5.023818  95.36875       6.171275  101.7987       8.650210  1929.406 63.17824 1983.259 86.15163 -53.85303      106.8344 
1 1 1 14  3  2  o 479.7783 60.56566 6.080040       1.411110  5.597414       1.890322  6.687479       2.120713  458.2102 84.60349 501.3464 86.68937 -43.13623      121.1313 
1 1 1 14  3  3  o 588.2169 71.58796 9.208158       1.945845  9.522523       3.372583  9.051293       2.382359  590.5666 116.9375 585.8672 82.61341 4.699402       143.1759 
1 1 1 14  3  4  o 250.3475 74.60780 0.1892983      1.547112  1.005512       2.632680  -0.2412637     1.912115  285.2193 116.0762 215.4758 93.76356 69.74352       149.2156 
1 1 1 14  3  5  o 816.4101 60.41865 18.80365       2.146569  14.58523       3.850159  20.70630       2.585733  736.0176 106.4147 896.8026 57.24998 -160.7850      120.8373 
1 1 1 14  3  6  o 1429.897 50.14047 53.17253       3.403268  53.48272       4.170289  52.55407       5.888558  1442.875 57.08916 1416.919 82.44450 25.95642       100.2809 
1 1 1 14  3  7  o 1068.289 58.94045 30.06623       3.158881  31.67456       4.599274  28.63007       4.346130  1095.300 83.57235 1041.278 83.13586 54.02283       117.8809 
1 1 1 14  3  8  o 326.2400 69.79160 3.042690       1.498199  -0.9954264     2.798638  4.664796       1.773768  240.6856 108.5394 411.7945 87.76488 -171.1089      139.5832 
1 1 1 14  3  9  o 302.1012 116.2310 2.011270       2.504866  0.000000       0.000000  2.011270       2.504866  ?        ?        302.1012 116.2310 ?              ?        
1 1 1 14  3  10 o 667.5097 52.75616 12.10684       1.707894  9.343187       2.388136  15.00005       2.443469  583.1923 83.24664 751.8271 64.82938 -168.6349      105.5123 
1 1 1 14  3  11 f 848.1812 53.45695 18.78618       2.113908  21.70357       3.849203  17.52633       2.529495  884.3900 87.09971 811.9723 62.00181 72.41766       106.9139 
1 1 1 14  3  12 f 863.6866 59.30331 20.95135       2.458135  21.39664       3.116310  20.21801       3.999218  888.0850 69.87543 839.2882 95.83817 48.79675       118.6066 
1 1 1 14  3  13 o 258.5299 80.20110 0.6966590      1.776862  0.2810357      3.721654  0.8193714      2.022229  279.5060 125.6868 237.5538 99.65783 41.95226       160.4022 
1 1 1 14  3  14 o 261.1873 71.57050 1.598343       1.367391  0.7810019      1.809114  2.687497       2.088377  224.4200 94.20997 297.9547 107.7675 -73.53464      143.1410 
1 1 1 14  3  15 o 227.9876 69.34295 0.8104341      1.452617  0.1528920      2.304645  1.243846       1.871081  220.4706 99.04403 235.5046 97.07759 -15.03398      138.6859 
1 1 1 14  3  16 o 310.2460 72.02433 3.527684       1.743369  5.445960       2.009754  -2.303919      3.504140  404.1812 99.00058 216.3109 104.6370 187.8703       144.0487 
1 1 1 14  3  17 o 356.2380 76.10502 4.766180       1.553649  5.683715       2.065372  3.570260       2.357969  405.7604 100.9520 306.7157 113.9149 99.04465       152.2100 
1 1 1 14  4  0  o 1308.927 49.54684 43.53674       3.073473  45.73227       5.417876  42.49493       3.732106  1328.598 80.93333 1289.256 57.17828 39.34143       99.09369 
1 1 1 14  4  1  o 2499.647 62.21288 164.5190       7.367319  154.6168       12.69555  169.5468       9.046339  2430.863 103.1591 2568.431 69.56990 -137.5676      124.4258 
1 1 1 14  4  2  f 1843.806 53.34485 88.91124       4.695974  83.83096       7.984408  91.59794       5.806409  1796.914 87.76713 1890.698 60.65990 -93.78491      106.6897 
1 1 1 14  4  3  o 540.5604 82.36491 7.732597       2.182842  0.000000       0.000000  7.732597       2.182842  ?        ?        540.5604 82.36491 ?              ?        
1 1 1 14  4  4  o 1523.394 41.36004 59.52329       3.188855  58.75967       4.549397  60.26085       4.471066  1513.490 59.37323 1533.297 57.59716 -19.80725      82.72009 
1 1 1 14  4  5  o 1749.792 42.56928 78.70054       3.768034  82.67515       5.348322  74.78342       5.309501  1794.238 58.87813 1705.346 61.49749 88.89111       85.13857 
1 1 1 14  4  6  o 1026.075 41.93254 27.23237       2.159658  30.22779       3.070686  24.30037       3.038012  1083.213 56.18652 968.9366 62.26096 114.2759       83.86508 
1 1 1 14  4  7  f 1073.131 41.75110 29.81268       2.259056  30.66593       3.213592  28.97911       3.176310  1088.560 58.52644 1057.702 59.55898 30.85828       83.50220 
1 1 1 14  4  8  o 607.3358 61.41476 10.11699       1.728901  9.564829       2.916341  10.41621       2.146835  586.9099 101.8413 627.7618 68.66901 -40.85193      122.8295 
1 1 1 14  4  9  o 276.4919 93.13609 2.001885       1.543755  2.001885       1.543755  0.000000       0.000000  276.4919 93.13609 ?        ?        ?              ?        
1 1 1 14  4  10 o 491.6001 82.67549 6.687093       1.984623  6.687093       1.984623  0.000000       0.000000  491.6001 82.67549 ?        ?        ?              ?        
1 1 1 14  4  11 o 563.0809 77.71111 8.813094       1.886813  10.68209       3.817115  8.208774       2.170524  582.6201 132.4137 543.5418 81.37985 39.07831       155.4222 
1 1 1 14  4  12 o 318.5103 82.94284 2.809502       1.738016  2.449215       2.259097  3.332024       2.720590  300.4256 111.5164 336.5950 122.8094 -36.16946      165.8857 
1 1 1 14  4  13 o 336.4795 89.21954 3.400121       1.942894  3.454422       3.664697  3.378892       2.291434  341.8268 137.7212 331.1323 113.4609 10.69446       178.4391 
1 1 1 14  4  14 o 464.9135 66.24051 6.628003       1.502346  7.413547       2.084185  5.778368       2.167542  501.3790 85.15414 428.4480 101.4889 72.93103       132.4810 
1 1 1 14  4  15 o 291.7796 75.13248 2.230839       1.524366  4.825390       2.438577  0.5667490      1.952962  366.2902 116.7095 217.2690 94.64916 149.0212       150.2650 
1 1 1 14  4  16 o 195.6717 61.80693 0.8401793E-01  1.269780  0.7334959      1.572972  -1.130948      2.151399  205.5013 87.13887 185.8421 87.67670 19.65912       123.6139 
1 1 1 14  4  17 o 272.3833 65.84360 2.076490       1.434206  4.615398       1.883700  -1.425229      2.212223  363.9059 99.42280 180.8608 86.35174 183.0451       131.6872 
1 1 1 14  5  0  o 915.5693 52.88391 21.25254       2.299474  23.24360       4.023049  20.28644       2.802357  943.6948 85.12166 887.4438 62.77846 56.25104       105.7678 
1 1 1 14  5  1  o 959.0511 51.65454 24.37262       2.363911  21.90591       3.889323  25.81769       2.976865  915.6681 84.86269 1002.434 58.91597 -86.76605      103.3091 
1 1 1 14  5  2  o 1056.336 51.10716 29.89388       2.555335  25.54254       4.217985  32.41687       3.211823  988.6950 85.09642 1123.978 56.62478 -135.2829      102.2143 
1 1 1 14  5  3  o 909.7782 44.91655 21.43315       2.047121  19.48617       2.916360  23.32429       2.874233  867.7722 66.89834 951.7842 59.95496 -84.01196      89.83309 
1 1 1 14  5  4  o 1785.114 54.17886 82.61768       4.565624  82.56268       5.552337  82.73253       8.022946  1792.623 61.17912 1777.606 89.43439 15.01721       108.3577 
1 1 1 14  5  5  o 583.3623 54.85764 9.119821       1.549819  7.697093       2.267534  10.36712       2.123134  536.5150 86.41606 630.2096 67.59960 -93.69458      109.7153 
1 1 1 14  5  6  o 1143.499 40.79894 33.67061       2.356589  35.08357       3.391934  32.35218       3.276502  1167.490 57.38659 1119.507 58.00856 47.98340       81.59788 
1 1 1 14  5  7  o 1026.880 43.79606 27.49344       2.243669  32.23359       3.211456  22.97359       3.135945  1115.943 57.03344 937.8181 66.47981 178.1247       87.59212 
1 1 1 14  5  8  o 493.6003 73.01322 6.945622       1.732057  6.423163       2.754429  7.287335       2.227595  471.7239 116.1159 515.4768 88.54839 -43.75293      146.0264 
1 1 1 14  5  9  o 592.2848 71.54728 11.42317       1.849774  5.739931       3.048198  14.73606       2.327279  436.9375 128.9428 747.6320 62.04678 -310.6945      143.0946 
1 1 1 14  5  10 o 902.0480 65.02754 24.07964       2.529122  26.35252       3.039299  18.96206       4.560548  999.1625 60.36673 804.9334 115.1963 194.2291       130.0551 
1 1 1 14  5  11 o 529.6596 65.76722 7.952266       1.690442  7.229121       2.253082  8.883611       2.556934  502.5070 91.95134 556.8122 94.05457 -54.30518      131.5344 
1 1 1 14  5  12 o 458.9690 82.15936 5.603932       2.222517  12.54617       3.589270  1.286851       2.830424  639.8660 115.0271 278.0720 117.3431 361.7940       164.3187 
1 1 1 14  5  13 o 241.6944 76.96554 -0.5975728     1.761086  1.899702       3.373696  -1.532928      2.064719  299.3625 127.3039 184.0263 86.53607 115.3362       153.9311 
1 1 1 14  5  14 o 410.3560 84.92387 5.774584       1.838583  6.032907       3.049249  5.627017       2.304654  406.4884 130.6119 414.2235 108.5761 -7.735077      169.8477 
1 1 1 14  5  15 o 602.7925 53.45136 10.66064       1.593282  10.20723       2.185602  11.17487       2.327574  589.7981 74.88293 615.7868 76.29377 -25.98871      106.9027 
1 1 1 14  5  16 o 228.3667 71.71245 0.7440363      1.644155  0.8159890      2.513073  0.6901907      2.173985  234.1653 104.4333 222.5682 98.30764 11.59715       143.4249 
1 1 1 14  5  17 o 215.3687 68.06950 0.3226116      1.662407  1.734212       1.886806  -4.575547      3.514696  240.9886 98.19296 189.7487 94.29723 51.23997       136.1390 
1 1 1 14  6  0  o 2220.642 56.94719 127.9026       6.033543  126.7195       10.40821  128.5014       7.404607  2204.619 93.25212 2236.665 65.39091 -32.04614      113.8944 
1 1 1 14  6  1  f 1415.865 40.93220 51.35282       2.933240  51.18634       4.194477  51.51215       4.103475  1413.407 58.61743 1418.322 57.14698 -4.914551      81.86440 
1 1 1 14  6  2  o 862.0741 44.66879 18.95730       1.922951  22.12344       2.896213  16.46118       2.571568  926.2733 62.11981 797.8750 64.20539 128.3983       89.33758 
1 1 1 14  6  3  o 379.7770 74.10292 3.810625       1.487382  5.070137       2.248016  2.829927       1.983653  430.2054 104.2963 329.3486 105.2960 100.8568       148.2058 
1 1 1 14  6  4  o 246.4539 64.35361 0.8777683      1.202561  2.392148       1.647702  -0.8483349     1.759116  302.7836 95.87789 190.1241 85.86607 112.6595       128.7072 
1 1 1 14  6  5  o 1318.977 40.52688 44.69458       2.704945  45.91284       3.899472  43.56471       3.755339  1336.168 57.64492 1301.786 56.98047 34.38269       81.05376 
1 1 1 14  6  6  o 404.1993 71.98887 4.561352       1.473021  4.160946       2.181968  4.896640       1.996675  386.9188 107.5239 421.4798 95.75069 -34.56104      143.9777 
1 1 1 14  6  7  o 450.8573 66.88866 5.536921       1.574872  2.052123       2.120621  9.822433       2.351665  295.6048 108.3386 606.1099 78.48013 -310.5051      133.7773 
1 1 1 14  6  8  o 392.8869 74.82312 4.386827       1.568535  3.011926       2.198173  5.813115       2.238875  332.3991 111.1413 453.3748 100.2078 -120.9756      149.6462 
1 1 1 14  6  9  f 650.5033 65.79963 12.23762       1.971435  10.01544       3.186954  13.61504       2.509114  587.6793 111.1878 713.3273 70.39621 -125.6480      131.5993 
1 1 1 14  6  10 o 579.3464 60.52134 9.280686       1.692792  8.961433       2.190726  9.753778       2.666818  571.3649 77.75330 587.3280 92.76720 -15.96307      121.0427 
1 1 1 14  6  11 o 941.1174 67.40488 23.87879       3.190313  23.87879       3.190313  0.000000       0.000000  941.1174 67.40488 ?        ?        ?              ?        
1 1 1 14  6  12 o 454.6630 74.10252 8.026140       1.962391  0.5243613      3.812118  10.73080       2.288972  287.2488 128.3276 622.0772 74.14011 -334.8284      148.2050 
1 1 1 14  6  13 o 343.3988 69.00448 3.523066       1.461055  0.9796000      2.089177  5.957836       2.044049  241.7241 101.3449 445.0736 93.67867 -203.3495      138.0090 
1 1 1 14  6  14 o 357.8539 76.38444 3.609835       1.465744  2.224307       1.759540  6.751195       2.649418  272.1226 98.84365 443.5853 116.4829 -171.4627      152.7689 
1 1 1 14  6  15 o 663.1588 64.87218 13.67592       1.934637  13.54696       2.337146  13.95663       3.448204  686.1887 68.17843 640.1290 110.3871 46.05975       129.7444 
1 1 1 14  6  16 o 345.1406 114.1332 4.510694       2.320011  0.000000       0.000000  4.510694       2.320011  ?        ?        345.1406 114.1332 ?              ?        
1 1 1 14  6  17 o 197.8499 68.11082 -2.154803      2.176427  -1.661481      2.835190  -2.862604      3.396041  196.4249 94.79295 199.2748 97.82961 -2.849884      136.2216 
1 1 1 14  7  0  o 1135.760 40.69585 33.00259       2.331138  35.92361       3.390515  30.38381       3.210316  1184.312 56.54782 1087.209 58.54018 97.10278       81.39170 
1 1 1 14  7  1  o 1382.299 41.61614 49.03203       2.910237  51.06026       4.109352  46.99122       4.122070  1411.399 57.50954 1353.198 60.16865 58.20044       83.23228 
1 1 1 14  7  2  o 660.7707 53.90517 11.57407       1.743272  13.15204       2.414243  9.855011       2.519866  711.2551 67.86945 610.2863 83.76639 100.9688       107.8103 
1 1 1 14  7  3  o 1379.279 41.66994 48.86618       2.908393  48.96514       4.179446  48.77328       4.049796  1380.331 59.80696 1378.227 58.04019 2.104858       83.33988 
1 1 1 14  7  4  o 388.4136 66.37024 4.127078       1.290822  4.253306       1.821064  3.999614       1.829963  394.5737 92.73024 382.2534 94.97966 12.32028       132.7405 
1 1 1 14  7  5  o 917.5814 43.07153 21.79709       1.981335  24.45957       2.855527  19.32519       2.751432  972.6907 58.25475 862.4720 63.45872 110.2187       86.14305 
1 1 1 14  7  6  o 765.1215 47.14983 15.43908       1.781283  12.62681       2.511637  18.28510       2.526659  691.5814 72.82954 838.6616 59.90228 -147.0802      94.29966 
1 1 1 14  7  7  o 875.7201 48.78380 20.16382       2.138304  22.42023       3.098011  18.11081       2.955087  923.7832 66.68966 827.6569 71.21745 96.12628       97.56760 
1 1 1 14  7  8  o 1346.194 43.29751 47.40826       2.950835  47.78222       4.188438  47.03973       4.157950  1351.476 61.21532 1340.911 61.24852 10.56494       86.59502 
1 1 1 14  7  9  o 610.6085 53.26069 10.04630       1.604609  9.300543       2.150742  10.98253       2.409812  585.5357 74.21821 635.6813 76.40983 -50.14557      106.5214 
1 1 1 14  7  10 o 408.8614 76.22096 5.018956       1.609825  4.377847       2.297554  5.637239       2.256280  381.1873 111.7916 436.5355 103.6396 -55.34827      152.4419 
1 1 1 14  7  11 o 647.5831 82.64154 12.88070       2.595459  12.51347       3.847972  13.18722       3.515576  631.0759 124.8602 664.0902 108.2979 -33.01428      165.2831 
1 1 1 14  7  12 f 649.0094 57.88876 11.92335       1.847833  13.51427       2.669965  10.46082       2.559964  694.6138 77.23151 603.4050 86.25386 91.20886       115.7775 
1 1 1 14  7  13 o 291.1943 75.55492 2.480058       1.485372  3.165164       2.087024  1.776788       2.114511  316.9410 108.2835 265.4476 105.3986 51.49347       151.1098 
1 1 1 14  7  14 o 304.0826 76.60041 3.038955       1.536113  2.057984       2.223350  3.934878       2.124785  268.7611 107.6275 339.4040 109.0266 -70.64285      153.2008 
1 1 1 14  7  15 o 505.6940 68.23167 8.536132       1.658057  10.10357       2.247620  6.664743       2.455890  578.8409 78.74077 432.5470 111.4546 146.2939       136.4633 
1 1 1 14  7  16 o 409.9700 72.49071 5.800846       1.566509  3.756826       2.102882  8.349378       2.348105  318.2437 108.6943 501.6964 95.94353 -183.4527      144.9814 
1 1 1 14  7  17 o 218.5576 70.25244 0.6963478      1.663550  0.8645642      2.072563  0.3917105      2.789106  215.4186 95.52608 221.6965 103.0359 -6.277954      140.5049 
1 1 1 14  8  0  o 1819.671 43.15240 85.09009       3.974072  82.64732       5.623483  87.52714       5.616894  1793.170 61.94414 1846.172 60.09529 -53.00171      86.30481 
1 1 1 14  8  1  o 1186.708 40.16819 36.10692       2.412594  37.28835       3.453764  34.98106       3.371566  1205.719 56.58001 1167.697 57.03189 38.02136       80.33638 
1 1 1 14  8  2  o 580.3870 61.66542 8.959617       1.746063  7.764074       2.406492  10.28867       2.537311  537.3204 91.75864 623.4536 82.40661 -86.13318      123.3308 
1 1 1 14  8  3  o 575.8334 59.02993 8.888052       1.655408  8.186717       2.437195  9.488738       2.255544  551.8609 90.36042 599.8059 75.98109 -47.94501      118.0599 
1 1 1 14  8  4  o 588.6358 51.25426 9.200892       1.475250  7.761158       2.096969  10.61175       2.075830  539.9083 79.05883 637.3633 65.25104 -97.45508      102.5085 
1 1 1 14  8  5  o 363.9312 83.07716 3.016380       1.575419  5.243422       3.140969  2.267790       1.821048  429.6879 131.8163 298.1745 101.1520 131.5134       166.1543 
1 1 1 14  8  6  o 455.4119 68.99356 5.831988       1.546911  4.712464       2.210125  6.907127       2.165871  408.2261 105.9991 502.5977 88.34386 -94.37164      137.9871 
1 1 1 14  8  7  o 1087.337 43.09338 30.90843       2.361400  29.58583       3.285054  32.32253       3.396796  1063.017 61.30062 1111.658 60.58376 -48.64111      86.18676 
1 1 1 14  8  8  o 1249.277 43.58874 41.00712       2.750126  43.11847       3.935433  38.99201       3.844686  1282.143 60.62788 1216.411 62.64321 65.73206       87.17747 
1 1 1 14  8  9  o 688.6367 59.21942 12.90334       1.934211  12.40797       2.397984  13.82575       3.272225  677.7935 70.93266 699.4800 94.84891 -21.68646      118.4388 
1 1 1 14  8  10 o 312.4133 70.80602 1.627085       1.391710  5.665618       2.476082  -0.2379193     1.682647  430.4579 112.4021 194.3688 86.13789 236.0890       141.6120 
1 1 1 14  8  11 o 454.9684 83.55716 6.830911       1.863201  5.708749       3.539298  7.261122       2.191442  409.2403 140.9697 500.6964 89.74813 -91.45612      167.1143 
1 1 1 14  8  12 o 390.3662 86.25466 4.672631       1.801684  3.785970       2.187550  6.542403       3.176682  346.0319 110.5695 434.7005 132.4155 -88.66858      172.5093 
1 1 1 14  8  13 o 266.6436 69.26020 1.700397       1.301827  0.4083725      1.724282  3.413219       1.985314  208.0546 89.78377 325.2325 105.4835 -117.1779      138.5204 
1 1 1 14  8  14 o 280.7899 69.67020 2.104224       1.387349  0.1733586      1.881929  4.402677       2.053265  203.4977 90.59254 358.0822 105.8713 -154.5844      139.3404 
1 1 1 14  8  15 o 231.1859 69.50748 0.8887827      1.441704  -0.2155323     1.886791  2.438141       2.234875  191.1723 87.35024 271.1994 108.1439 -80.02715      139.0150 
1 1 1 14  8  16 o 202.2431 63.34875 0.4789567E-01  1.270748  -0.9660655     1.607345  1.738047       2.075206  160.8052 75.84026 243.6811 101.4914 -82.87589      126.6975 
1 1 1 14  8  17 o 353.2044 80.87794 4.775925       1.900685  1.587095       2.462922  9.471478       2.988672  235.1892 104.2214 471.2197 123.7047 -236.0305      161.7559 
1 1 1 14  9  0  o 456.3269 63.29183 5.915563       1.396369  7.920773       1.905933  3.592057       2.051634  549.2571 70.14236 363.3967 105.3730 185.8604       126.5837 
1 1 1 14  9  1  o 930.5807 42.31004 22.36797       1.982666  22.07091       2.790138  22.67097       2.817895  924.2800 59.94989 936.8815 59.72075 -12.60144      84.62008 
1 1 1 14  9  2  o 898.0884 43.95355 20.84228       1.982156  21.69585       2.916901  20.10995       2.701823  914.8041 63.37148 881.3728 60.92383 33.43127       87.90710 
1 1 1 14  9  3  o 1012.479 44.45425 26.66521       2.259921  24.85942       3.243491  28.36901       3.150556  977.7510 65.90860 1047.208 59.67227 -69.45691      88.90851 
1 1 1 14  9  4  o 1075.553 40.43213 29.87905       2.191773  31.55626       3.168449  28.34002       3.035120  1104.662 56.84714 1046.444 57.51028 58.21729       80.86427 
1 1 1 14  9  5  o 306.7172 67.20017 2.253591       1.238091  4.023808       1.870863  0.8742540      1.651444  379.6472 96.98488 233.7873 93.04507 145.8599       134.4003 
1 1 1 14  9  6  o 762.1298 47.28555 15.25722       1.799854  17.02442       2.640238  13.72298       2.460059  804.0991 65.42320 720.1605 68.28979 83.93854       94.57109 
1 1 1 14  9  7  o 705.8756 51.52439 13.30814       1.806127  11.75709       2.482876  15.05129       2.632154  660.4857 75.61440 751.2655 70.01080 -90.77979      103.0488 
1 1 1 14  9  8  f 345.3054 75.78138 3.363608       1.456661  4.188487       2.247439  2.766065       1.912835  376.5459 110.6042 314.0649 103.6242 62.48096       151.5628 
1 1 1 14  9  9  o 222.1024 66.82006 0.3194076      1.354290  1.142215       1.662408  -1.304165      2.335201  238.4789 93.84463 205.7260 95.14655 32.75290       133.6401 
1 1 1 14  9  10 o 569.1387 74.48317 9.850157       1.826588  9.172553       3.499618  10.10387       2.141412  531.3530 130.9386 606.9243 71.03563 -75.57129      148.9663 
1 1 1 14  9  11 o 659.4678 73.15181 13.47545       2.023579  11.90963       3.857197  14.07007       2.376952  601.0684 130.4968 717.8672 66.14630 -116.7988      146.3036 
1 1 1 14  9  12 o 219.2431 71.19641 -0.6355953     1.730932  -0.7965055     2.166448  -0.3515633     2.878326  201.1026 92.51862 237.3836 108.2406 -36.28101      142.3928 
1 1 1 14  9  13 o 343.0984 89.86799 4.065055       1.886623  3.908173       2.131667  4.632154       4.052859  340.2724 109.1923 345.9244 142.7658 -5.652069      179.7360 
1 1 1 14  9  14 o 205.2918 64.57474 0.2552208      1.339179  -0.3447706E-01 1.783643  0.6295375      2.027472  192.5920 86.76911 217.9917 95.65933 -25.39972      129.1495 
1 1 1 14  9  15 o 184.6253 60.07677 -0.5094155     1.333325  0.4077447      1.764963  -1.728617      2.034936  200.1602 88.48566 169.0905 81.28445 31.06963       120.1535 
1 1 1 14  9  16 o 223.2540 71.05138 -0.3414440     1.471215  -1.681034      1.696976  3.712384       2.952040  151.7781 73.26903 294.7298 121.7573 -142.9517      142.1028 
1 1 1 14  10 0  o 1424.886 40.43163 52.24451       2.916322  52.04820       4.151106  52.43584       4.098011  1422.048 57.65882 1427.725 56.69503 -5.676147      80.86326 
1 1 1 14  10 1  o 692.3119 49.19930 12.57987       1.693586  13.81600       2.400138  11.35408       2.390079  727.7609 65.85585 656.8629 73.11151 70.89801       98.39861 
1 1 1 14  10 2  o 1183.744 42.15709 36.21746       2.521605  35.34475       3.552511  37.10365       3.579823  1168.390 60.26231 1199.098 58.96894 -30.70825      84.31419 
1 1 1 14  10 3  o 247.1511 71.77531 0.7307975      1.431876  0.3110310      2.253797  1.014898       1.854159  245.4526 104.2054 248.8497 98.73205 -3.397125      143.5506 
1 1 1 14  10 4  o 210.3463 63.13773 0.5378895E-01  1.208351  -0.8758978     1.798158  0.8192987      1.631680  189.9760 86.20872 230.7166 92.26888 -40.74063      126.2755 
1 1 1 14  10 5  o 306.6122 72.40828 2.473307       1.339810  3.090184       1.892667  1.853671       1.896897  333.4707 102.3272 279.7537 102.4743 53.71695       144.8166 
1 1 1 14  10 6  o 492.9387 62.08641 6.903098       1.464046  5.565726       2.188631  7.986180       1.969596  441.5535 100.2014 544.3239 73.33875 -102.7704      124.1728 
1 1 1 14  10 7  f 525.1959 68.98196 8.104188       1.735917  10.08194       2.375385  5.837290       2.543102  607.2546 79.14573 443.1372 113.0044 164.1173       137.9639 
1 1 1 14  10 8  o 517.0936 79.51102 7.960024       1.989787  7.752981       2.565495  8.272602       3.152238  515.5646 101.9013 518.6226 122.0825 -3.058044      159.0220 
1 1 1 14  10 9  o 254.2807 75.00339 0.9748017      1.582368  1.246796       2.477497  0.7873982      2.056469  268.1487 111.2213 240.4127 100.6571 27.73602       150.0068 
1 1 1 14  10 10 o 212.3216 67.42690 0.4476322E-01  1.310275  -3.115048      3.338602  0.6200708      1.424571  218.7417 104.8785 205.9014 84.77058 12.84032       134.8538 
1 1 1 14  10 11 o 554.4490 75.62538 10.32803       1.913609  7.083502       3.235489  12.07359       2.373184  451.3342 132.7470 657.5638 72.49163 -206.2297      151.2508 
1 1 1 14  10 12 o 510.2591 70.55860 8.135031       1.754087  7.728568       2.542349  8.504302       2.423244  492.4061 105.1787 528.1121 94.08240 -35.70593      141.1172 
1 1 1 14  10 13 o 348.8045 82.19874 4.522703       1.681187  4.788865       1.918621  3.642551       3.488947  381.8271 98.57526 315.7819 131.5654 66.04517       164.3975 
1 1 1 14  10 14 o 287.1657 67.49995 2.749358       1.314955  4.254362       1.753093  0.8134445      1.988287  355.2190 95.44331 219.1124 95.47538 136.1067       134.9999 
1 1 1 14  10 15 o 258.0018 69.11056 1.921106       1.474982  3.821968       1.934186  -0.7205138     2.280122  322.5186 104.0658 193.4850 90.96917 129.0336       138.2211 
1 1 1 14  10 16 o 244.8141 75.49709 1.289620       1.849442  3.929194       2.771321  -0.8298520     2.483326  295.9666 119.5810 193.6615 92.19343 102.3052       150.9942 
1 1 1 14  11 0  f 1299.994 40.47804 43.59320       2.663752  44.46978       3.797587  42.74419       3.737363  1312.903 57.13356 1287.085 57.35542 25.81885       80.95609 
1 1 1 14  11 1  o 385.8494 80.27245 4.669625       1.780046  5.855937       2.006376  0.2834159      3.857959  463.0638 88.81422 308.6351 133.7411 154.4287       160.5449 
1 1 1 14  11 2  o 728.5911 75.10493 15.10230       2.154360  15.48824       2.442143  13.74815       4.574493  769.7474 63.22568 687.4348 136.2553 82.31256       150.2099 
1 1 1 14  11 3  o 1139.129 54.27545 35.26949       2.855907  36.96377       3.477730  31.76073       5.004720  1194.149 57.52460 1084.108 92.05551 110.0415       108.5509 
1 1 1 14  11 4  o 452.0390 77.61179 6.229961       1.687447  4.654268       3.100849  6.892918       2.011349  401.1646 131.9153 502.9134 81.80907 -101.7488      155.2236 
1 1 1 14  11 5  o 827.7906 45.74582 18.11411       1.893921  20.15984       2.711374  16.16493       2.646617  875.3162 61.57661 780.2650 67.66860 95.05121       91.49163 
1 1 1 14  11 6  o 1094.167 42.92976 31.54127       2.363680  31.90792       3.464681  31.22204       3.232844  1098.799 62.54044 1089.535 58.82644 9.264648       85.85951 
1 1 1 14  11 7  o 759.6219 63.65294 15.95639       2.216696  15.61619       2.673051  16.70551       3.966604  760.7089 70.19920 758.5350 106.2020 2.173828       127.3059 
1 1 1 14  11 8  o 461.0004 73.77830 6.750680       1.716193  8.586452       2.252783  4.211866       2.649265  552.8060 83.06213 369.1947 121.9575 183.6112       147.5566 
1 1 1 14  11 9  o 1127.363 55.99677 36.85134       2.899474  30.50258       4.926133  40.21668       3.586543  1025.115 96.03763 1229.610 57.61359 -204.4948      111.9935 
1 1 1 14  11 10 f 841.9100 45.36923 19.33712       1.914123  18.55978       2.763942  20.05353       2.653399  822.9723 66.91714 860.8478 61.28265 -37.87555      90.73846 
1 1 1 14  11 11 o 328.1948 74.38045 3.387295       1.492591  4.733334       2.064932  1.914518       2.159959  385.8539 103.5469 270.5356 106.8075 115.3183       148.7609 
1 1 1 14  11 12 o 265.8486 75.82617 1.912083       1.518047  1.893167       2.647042  1.921354       1.853054  271.8976 114.0398 259.7997 99.96675 12.09793       151.6523 
1 1 1 14  11 13 o 241.0078 77.44748 0.6459179      2.062587  1.302827       2.564239  -0.5581324     3.471587  246.9770 107.9985 235.0387 111.0350 11.93832       154.8950 
1 1 1 14  11 14 o 574.0450 77.12949 12.20646       2.055125  9.684744       3.330187  13.75752       2.611775  479.2114 132.7163 668.8785 78.62709 -189.6671      154.2590 
1 1 1 14  11 15 o 323.5198 106.4365 4.013257       2.018606  4.013257       2.018606  0.000000       0.000000  323.5198 106.4365 ?        ?        ?              ?        
1 1 1 14  11 16 o 290.6156 81.79974 3.933970       1.808575  4.063609       2.048660  3.476075       3.850224  312.5119 107.2740 268.7193 123.5195 43.79263       163.5995 
1 1 1 14  12 0  o 425.4744 77.74567 5.797340       1.744759  7.132958       2.062454  2.435826       3.271981  513.2563 82.14189 337.6924 132.0237 175.5639       155.4913 
1 1 1 14  12 1  o 1560.783 53.54119 62.74086       3.848148  60.44955       4.554937  68.45380       7.192333  1525.776 58.96684 1595.790 89.38427 -70.01318      107.0824 
1 1 1 14  12 2  o 733.5704 69.04893 13.47761       2.132038  12.32128       2.410590  17.63151       4.568898  680.9722 70.96391 786.1686 118.4700 -105.1964      138.0979 
1 1 1 14  12 3  o 832.3134 64.39755 19.02723       2.414111  19.15632       2.886923  18.72707       4.402180  850.8691 67.57391 813.7576 109.6446 37.11145       128.7951 
1 1 1 14  12 4  f 435.9129 83.61173 4.226377       1.706629  2.750521       1.935198  9.390360       3.619894  315.6808 104.2316 556.1450 130.7649 -240.4642      167.2235 
1 1 1 14  12 5  o 656.4893 63.96123 11.78747       1.961117  11.28432       2.403974  12.78850       3.390822  644.8859 75.03422 668.0926 103.6051 -23.20673      127.9225 
1 1 1 14  12 6  o 284.4038 107.4033 1.991771       2.113872  1.991771       2.113872  0.000000       0.000000  284.4038 107.4033 ?        ?        ?              ?        
1 1 1 14  12 7  o 244.4475 75.40131 0.2906106      1.709514  0.1311199      2.166917  0.5534861      2.781952  227.5585 99.39932 261.3365 113.4072 -33.77802      150.8026 
1 1 1 14  12 8  o 230.3358 71.73177 0.2684853E-01  1.655397  -1.945025      2.892379  0.9874018      2.018721  217.2920 102.2548 243.3797 100.6268 -26.08769      143.4635 
1 1 1 14  12 9  o 432.3932 73.32578 5.704553       1.465273  5.861460       2.794618  5.645062       1.720771  420.5496 123.2806 444.2368 79.42654 -23.68726      146.6516 
1 1 1 14  12 10 o 492.1649 58.01553 6.913903       1.382779  8.040833       2.133376  6.097456       1.815861  526.1682 82.82433 458.1616 81.26093 68.00665       116.0311 
1 1 1 14  12 11 o 340.9500 74.16873 4.302694       1.649157  0.1606094      3.464785  5.515972       1.875197  257.3696 117.8852 424.5304 90.03936 -167.1607      148.3375 
1 1 1 14  12 12 o 229.8820 71.05214 0.8492906      1.542150  -1.448933      3.242602  1.521063       1.753107  220.5603 105.0951 239.2038 95.64853 -18.64348      142.1043 
1 1 1 14  12 13 o 249.2381 77.05123 1.633223       1.697496  1.999731       1.860266  -0.1904577     4.149617  251.7781 99.21041 246.6980 117.9189 5.080093       154.1025 
1 1 1 14  12 14 o 282.3129 70.54262 2.939834       1.348372  3.748860       1.730768  1.690615       2.150686  324.0242 97.52574 240.6015 101.9499 83.42271       141.0852 
1 1 1 14  12 15 f 397.8593 79.24357 6.216641       1.632213  5.776101       2.072401  6.936351       2.648864  393.3551 102.8895 402.3636 120.5485 -9.008514      158.4871 
1 1 1 14  13 0  o 314.6579 72.73899 2.816430       1.422841  3.715490       1.685148  0.5838210      2.655524  363.4157 91.61589 265.9000 113.0061 97.51569       145.4780 
1 1 1 14  13 1  o 508.2463 79.36508 7.973820       1.730379  8.448142       1.968475  6.361190       3.629616  561.3529 70.84187 455.1396 142.0447 106.2133       158.7302 
1 1 1 14  13 2  o 540.3254 60.33419 8.052680       1.595570  8.205457       2.265063  7.902198       2.247988  545.8090 84.71650 534.8418 85.93005 10.96716       120.6684 
1 1 1 14  13 3  o 402.4037 70.50830 4.560540       1.493556  2.672501       2.016784  6.853591       2.222597  312.0622 106.4466 492.7453 92.49223 -180.6831      141.0166 
1 1 1 14  13 4  o 526.3186 75.30026 8.742567       1.712487  9.495893       1.997090  6.650026       3.328456  594.0400 67.60905 458.5972 134.5717 135.4427       150.6005 
1 1 1 14  13 5  o 439.7857 99.11856 5.665144       2.154059  5.665144       2.154059  0.000000       0.000000  439.7857 99.11856 ?        ?        ?              ?        
1 1 1 14  13 6  o 466.5388 101.3292 6.463085       2.324824  6.463085       2.324824  0.000000       0.000000  466.5388 101.3292 ?        ?        ?              ?        
1 1 1 14  13 7  o 634.1168 53.68693 11.23480       1.678233  10.37099       2.425432  12.02823       2.324541  606.5530 81.00790 661.6806 70.47599 -55.12756      107.3739 
1 1 1 14  13 8  o 831.3790 68.59551 18.99695       2.861428  0.000000       0.000000  18.99695       2.861428  ?        ?        831.3790 68.59551 ?              ?        
1 1 1 14  13 9  o 807.2940 62.04040 17.78347       2.516252  0.000000       0.000000  17.78347       2.516252  ?        ?        807.2940 62.04040 ?              ?        
1 1 1 14  13 10 o 351.1441 79.87396 4.515604       1.741826  5.355069       1.979346  1.634016       3.667215  414.0044 96.25837 288.2838 127.4901 125.7207       159.7479 
1 1 1 14  13 11 f 384.4420 94.49770 5.623463       2.112805  5.133502       2.485508  6.899663       4.011381  376.6437 117.5441 392.2402 147.9954 -15.59647      188.9954 
1 1 1 14  13 12 o 223.0886 71.77294 0.4950396      1.524689  0.6572146      3.291727  0.4507423      1.720364  245.5101 113.3418 200.6670 88.08553 44.84309       143.5459 
1 1 1 14  13 13 o 264.0188 76.87823 2.328901       1.564190  3.044014       2.819547  2.010964       1.880023  279.7455 117.5330 248.2921 99.13143 31.45334       153.7565 
1 1 1 14  13 14 o 285.2899 105.6506 3.164348       2.025341  3.164348       2.025341  0.000000       0.000000  285.2899 105.6506 ?        ?        ?              ?        
1 1 1 14  13 15 o 180.7560 59.38903 -0.4300408     1.309860  -1.470514      1.741606  0.9249767      1.987498  153.2374 74.03644 208.2745 92.88075 -55.03717      118.7781 
1 1 1 14  14 0  o 339.8680 68.85928 3.350904       1.287893  4.215377       1.739759  2.302824       1.915626  384.9297 90.75291 294.8062 103.5872 90.12357       137.7186 
1 1 1 14  14 1  o 188.3356 62.68321 -1.273204      1.342245  -3.338843      2.890133  -0.7051453     1.515610  202.9659 97.38494 173.7053 78.94881 29.26057       125.3664 
1 1 1 14  14 2  o 257.3213 78.84644 0.4775833      1.521834  1.235442       3.520483  0.3034201      1.687665  302.9654 129.4681 211.6772 90.02803 91.28825       157.6929 
1 1 1 14  14 3  o 536.7321 78.75441 9.156747       1.863575  7.266069       3.561299  9.869689       2.186890  472.1985 139.3804 601.2657 73.36308 -129.0672      157.5088 
1 1 1 14  14 4  o 1384.269 53.31303 51.72406       3.453032  53.64562       6.168044  50.84694       4.167258  1383.430 88.52995 1385.107 59.42696 -1.676270      106.6261 
1 1 1 14  14 5  f 1104.111 50.07114 33.32466       2.689097  33.75171       3.416781  32.62964       4.358912  1124.154 60.25481 1084.068 79.98645 40.08569       100.1423 
1 1 1 14  14 6  o 481.6659 96.28362 8.026053       2.460542  8.564200       3.175091  7.216980       3.893138  514.9202 123.4064 448.4116 147.8276 66.50854       192.5672 
1 1 1 14  14 7  o 557.6664 90.81302 11.22154       2.628216  14.41785       3.437898  6.726376       4.077007  691.9689 101.1192 423.3638 150.8739 268.6051       181.6260 
1 1 1 14  14 8  o 522.6435 81.46461 8.497603       1.989855  7.753851       2.411585  10.08411       3.522162  503.7784 98.08200 541.5086 130.0994 -37.73026      162.9292 
1 1 1 14  14 9  o 234.8112 64.65833 1.346511       1.104644  1.584489       1.629236  1.144032       1.502815  245.3067 93.89183 224.3157 88.92199 20.99101       129.3167 
1 1 1 14  14 10 o 298.1674 73.86070 2.916150       1.376175  2.796712       1.908365  3.045555       1.986390  293.2141 103.3577 303.1206 105.5405 -9.906525      147.7214 
1 1 1 14  14 11 o 433.6809 71.57746 6.701155       1.595911  4.543591       2.387944  8.442700       2.145406  345.8069 115.8384 521.5549 84.11175 -175.7480      143.1549 
1 1 1 14  14 12 o 370.2515 82.66574 4.920012       1.695545  8.217267       2.961803  3.312661       2.067927  444.7556 125.8700 295.7475 107.1972 149.0080       165.3315 
1 1 1 14  14 13 o 322.6292 82.85002 3.948538       1.703584  6.895545       2.953205  2.478787       2.085570  385.1101 128.8222 260.1483 104.2178 124.9618       165.7000 
1 1 1 14  14 14 o 595.3129 76.27362 11.27047       2.245947  11.27047       2.245947  0.000000       0.000000  595.3129 76.27362 ?        ?        ?              ?        
1 1 1 14  14 15 o 198.6445 65.61412 0.4367718      1.633307  0.2421335      2.388177  0.6078147      2.238747  196.9161 92.74151 200.3729 92.84322 -3.456863      131.2282 
1 1 1 14  15 0  o 722.5416 64.85959 13.34492       2.015592  17.89443       4.211565  11.99331       2.295555  779.4627 109.7647 665.6205 69.12872 113.8422       129.7192 
1 1 1 14  15 1  o 576.5507 68.25907 8.607177       1.756742  12.25533       3.424847  7.304602       2.046473  642.5514 109.1880 510.5500 81.94618 132.0014       136.5181 
1 1 1 14  15 2  o 304.9949 78.81723 2.562181       1.481381  1.897826       3.061182  2.765337       1.692795  301.2263 124.1696 308.7635 97.11089 -7.537292      157.6345 
1 1 1 14  15 3  o 708.5494 62.91062 14.05808       2.185163  16.81231       3.336879  11.99021       2.891356  770.4453 87.07734 646.6536 90.82137 123.7917       125.8212 
1 1 1 14  15 4  o 271.3608 79.01772 1.264858       1.602434  2.467691       3.007153  0.7878633      1.893694  310.6315 124.8952 232.0901 96.83180 78.54141       158.0354 
1 1 1 14  15 5  o 576.8013 92.20543 11.23330       2.618037  12.16085       3.450820  9.975399       4.018635  624.7015 113.2820 528.9009 145.5148 95.80060       184.4109 
1 1 1 14  15 6  f 467.0083 74.01164 6.455171       1.643141  8.134439       2.817487  5.589649       2.022744  504.6395 113.0818 429.3771 95.51643 75.26242       148.0233 
1 1 1 14  15 7  o 279.6809 75.49940 1.833927       1.773029  3.826948       2.192003  -1.937531      3.015366  342.9926 110.7964 216.3691 102.5905 126.6235       150.9988 
1 1 1 14  15 8  o 178.2648 59.22491 -1.407437      1.272277  -0.1483308     2.169881  -2.067082      1.570578  211.8985 95.56352 144.6311 69.98550 67.26732       118.4498 
1 1 1 14  15 9  o 253.1626 77.53630 1.346109       1.684980  1.660248       1.899195  0.1844679      3.652117  249.5946 99.64059 256.7305 118.8245 -7.135895      155.0726 
1 1 1 14  15 10 o 410.6603 67.34830 5.687025       1.417728  3.823920       2.018250  7.501889       1.991949  327.8242 106.3581 493.4965 82.65059 -165.6723      134.6966 
1 1 1 14  15 11 o 236.0497 70.54290 1.509791       1.416492  1.810891       2.297788  1.325230       1.798977  246.8653 105.0224 225.2341 94.20985 21.63118       141.0858 
1 1 1 14  15 12 o 346.9788 72.16550 4.778460       1.532243  2.521383       2.288661  6.611930       2.062743  260.4156 107.3579 433.5420 96.46616 -173.1265      144.3310 
1 1 1 14  15 13 o 203.3605 62.80792 0.1938336      1.429437  2.258381       1.840731  -2.942571      2.268788  248.8528 98.48747 157.8681 77.97153 90.98470       125.6158 
1 1 1 14  15 14 o 207.6892 64.63032 0.6357436      1.555400  -3.473743      2.799429  2.470886       1.870728  166.8552 83.11963 248.5232 98.99213 -81.66805      129.2606 
1 1 1 14  16 0  o 606.4850 78.25461 10.70611       1.928196  12.03730       4.147488  10.33905       2.177868  600.1684 139.1991 612.8017 71.54538 -12.63330      156.5092 
1 1 1 14  16 1  o 503.9366 84.37479 7.298166       1.822831  9.675558       3.961228  6.659502       2.053126  527.9009 144.1554 479.9723 87.72473 47.92856       168.7496 
1 1 1 14  16 2  o 170.8242 78.16756 -0.7091106     1.518263  -0.7091106     1.518263  0.000000       0.000000  170.8242 78.16756 ?        ?        ?              ?        
1 1 1 14  16 3  o 412.7257 95.34258 5.126632       1.952079  5.126632       1.952079  0.000000       0.000000  412.7257 95.34258 ?        ?        ?              ?        
1 1 1 14  16 4  o 365.8638 82.28173 4.441483       1.760900  3.389957       2.726758  5.193722       2.306293  328.7454 122.4199 402.9821 109.9750 -74.23676      164.5635 
1 1 1 14  16 5  o 227.9039 92.28137 1.051401       1.654274  0.000000       0.000000  1.051401       1.654274  ?        ?        227.9039 92.28137 ?              ?        
1 1 1 14  16 6  o 269.9593 95.95164 2.139768       1.647952  0.000000       0.000000  2.139768       1.647952  ?        ?        269.9593 95.95164 ?              ?        
1 1 1 14  16 7  o 434.8011 65.43040 5.813612       1.388415  6.248096       2.098187  5.475165       1.851839  446.8346 95.63838 422.7676 89.31881 24.06702       130.8608 
1 1 1 14  16 8  o 328.1237 75.96873 4.012783       1.878864  5.884039       2.166589  -1.662401      3.773113  421.7699 102.4754 234.4775 112.1775 187.2924       151.9375 
1 1 1 14  16 9  o 328.0797 74.67678 3.832076       1.410261  3.688909       2.108970  3.947873       1.896697  319.4464 108.8528 336.7130 102.2622 -17.26657      149.3536 
1 1 1 14  16 10 o 348.8670 68.69073 4.321549       1.404749  2.174324       1.964548  6.568035       2.009443  254.9153 101.4737 442.8187 92.61076 -187.9034      137.3815 
1 1 1 14  16 11 o 205.2335 65.36552 0.5532241      1.434783  -0.4840630E-01 2.284085  0.9453534      1.844004  200.1008 93.07990 210.3661 91.79725 -10.26530      130.7310 
1 1 1 14  16 12 o 163.3096 54.91087 -1.011504      1.257769  -2.137400      2.003525  -0.2791617     1.615855  156.1569 76.34339 170.4624 78.94620 -14.30548      109.8217 
1 1 1 14  16 13 o 289.8551 73.69859 3.462177       1.411330  2.379876       1.887047  4.836079       2.126114  246.4166 98.98618 333.2935 109.2139 -86.87697      147.3972 
1 1 1 14  16 14 o 183.7227 86.67696 0.8497271E-01  2.102635  0.000000       0.000000  0.8497271E-01  2.102635  ?        ?        183.7227 86.67696 ?              ?        
1 1 1 14  17 0  x ?        ?        ?              ?         ?              ?         ?              ?         ?        ?        ?        ?        ?              ?        
1 1 1 14  17 1  o 154.4414 51.73483 -1.370965      1.062015  -0.8872516     1.323365  -2.246087      1.780001  152.8967 71.03145 155.9861 75.23632 -3.089432      103.4697 
1 1 1 14  17 2  o 171.5718 55.63197 -0.7881198     1.119818  -0.7202963E-01 1.448861  -1.850551      1.764790  182.0363 80.33751 161.1073 76.97759 20.92892       111.2639 
1 1 1 14  17 3  o 333.2421 69.92979 3.458576       1.259091  3.302229       1.685797  3.655822       1.893494  326.5402 95.75709 339.9441 101.9376 -13.40393      139.8596 
1 1 1 14  17 4  o 329.8426 96.74438 3.415365       1.720590  0.000000       0.000000  3.415365       1.720590  ?        ?        329.8426 96.74438 ?              ?        
1 1 1 14  17 5  o 222.3334 64.54658 -0.3002336     1.264290  2.863068       2.111929  -2.067055      1.578357  299.7441 108.3798 144.9227 70.13464 154.8214       129.0932 
1 1 1 14  17 6  o 238.5036 70.58158 1.155842       1.487266  -3.176034      3.561214  2.070997       1.636845  214.2847 104.0937 262.7226 95.34952 -48.43796      141.1632 
1 1 1 14  17 7  o 305.3428 93.49526 3.127517       2.718362  4.478219       3.764116  1.655194       3.929931  331.4853 137.2590 279.2003 126.9859 52.28497       186.9905 
1 1 1 14  17 8  o 240.0452 76.24357 0.6606736      1.463079  3.082141       3.562068  0.1692507      1.604688  291.4937 127.3814 188.5966 83.82306 102.8971       152.4871 
1 1 1 14  17 9  o 478.5220 79.75591 11.00175       2.155672  12.80016       2.477553  5.398055       4.373368  642.1141 77.80071 314.9300 139.2518 327.1841       159.5118 
1 1 1 14  17 10 f 317.3524 68.99411 3.786460       1.281208  4.938206       1.801212  2.606961       1.822784  370.8852 95.38764 263.8197 99.70930 107.0654       137.9882 
1 1 1 14  17 11 o 236.2850 70.09995 1.947012       1.405736  1.780406       2.287088  2.048167       1.782102  233.4298 102.0370 239.1403 96.14809 -5.710434      140.1999 
1 1 1 14  17 12 o 199.8239 65.16561 0.4626350      1.544034  0.9650109      2.134910  -0.8832864E-01 2.235767  208.7861 94.41675 190.8617 89.84267 17.92447       130.3312 
1 1 1 14  17 13 o 218.6259 65.49373 1.524273       1.413547  -0.6032618     2.193387  3.035586       1.848647  176.1691 84.60992 261.0828 99.99438 -84.91374      130.9875 
1 1 1 14  18 0  o 267.8506 67.31797 2.109798       1.137026  2.291392       1.414035  1.777576       1.912597  276.3881 88.95818 259.3130 101.0608 17.07513       134.6359 
1 1 1 14  18 1  o 223.5009 64.85332 0.9880074      1.164032  1.225443       1.464834  0.5811638      1.917473  226.4821 88.39416 220.5198 94.92255 5.962265       129.7066 
1 1 1 14  18 2  o 253.4783 66.06696 1.786233       1.194093  2.552788       1.509782  0.5057476      1.951326  287.9942 91.83959 218.9624 94.99929 69.03185       132.1339 
1 1 1 14  18 3  o 252.9521 66.40295 1.519858       1.275013  -0.2022236     1.846942  3.087744       1.762315  195.7537 88.23499 310.1504 99.25722 -114.3966      132.8059 
1 1 1 14  18 4  f 373.5149 70.68633 5.012042       1.551164  2.089814       2.523291  6.787201       1.966659  273.8516 112.7918 473.1781 85.23053 -199.3265      141.3727 
1 1 1 14  18 5  o 247.9058 58.45703 1.018658       1.154685  3.818475       1.628005  -1.815587      1.637984  345.0313 91.64922 150.7803 72.59007 194.2511       116.9141 
1 1 1 14  18 6  o 286.6875 76.44542 2.823551       1.525034  2.425048       2.235027  3.170720       2.086113  273.2093 108.3984 300.1658 107.8211 -26.95648      152.8908 
1 1 1 14  18 7  o 254.8191 79.12266 0.7063171      1.525710  5.131797       3.600434  -0.2623032     1.684424  329.7177 135.1411 179.9205 82.33141 149.7972       158.2453 
1 1 1 14  18 8  o 376.4094 81.97898 4.604788       1.646991  10.00982       3.194603  2.648063       1.922130  484.4487 128.2414 268.3702 102.1584 216.0785       163.9580 
1 1 1 14  18 9  o 212.0002 69.97341 0.3266320      1.619277  -0.1091152     1.880361  1.577101       3.185374  184.2551 85.27370 239.7452 110.9662 -55.49004      139.9468 
1 1 1 14  18 10 o 250.8651 67.57841 2.394231       1.189704  2.467310       1.706715  2.325158       1.659278  253.3916 96.31007 248.3385 94.82475 5.053146       135.1568 
1 1 1 14  18 11 o 202.9283 62.61307 0.9561244      1.311932  -1.133985      2.395621  1.851489       1.567955  178.7216 86.46973 227.1350 90.57908 -48.41341      125.2261 
1 1 1 14  18 12 o 315.7734 82.88498 5.348583       1.766963  4.726357       2.419044  6.060290       2.587142  297.8724 114.3138 333.6744 120.0501 -35.80203      165.7700 
1 1 1 14  19 0  o 427.9976 60.09878 5.898493       1.239055  7.496399       1.650013  3.832272       1.876290  515.3771 64.66151 340.6181 101.3230 174.7590       120.1976 
1 1 1 14  19 1  o 242.7507 57.09257 1.086719       1.111791  3.481970       1.499718  -1.835796      1.656580  333.4490 87.67448 152.0525 73.15347 181.3965       114.1851 
1 1 1 14  19 2  o 292.9787 70.79883 2.814831       1.264522  2.616279       1.798701  3.008859       1.778086  284.1682 100.3252 301.7892 99.92373 -17.62100      141.5977 
1 1 1 14  19 3  o 301.1007 64.72001 2.972944       1.284847  0.5675619      1.985574  4.705689       1.685239  216.1830 94.77058 386.0184 88.16605 -169.8354      129.4400 
1 1 1 14  19 4  o 262.3600 66.93512 1.742672       1.368807  3.983846       1.896981  -0.6917460     1.977073  338.7314 102.1348 185.9886 86.54313 152.7428       133.8702 
1 1 1 14  19 5  o 244.1316 69.30877 1.663741       1.352642  2.623436       1.919839  0.7177497      1.906083  275.2922 102.6806 212.9709 93.12096 62.32137       138.6175 
1 1 1 14  19 6  o 388.4489 80.37507 6.069378       1.684297  5.664034       2.917969  6.271909       2.062594  352.6949 127.4142 424.2028 98.01141 -71.50793      160.7501 
1 1 1 14  19 7  o 271.4346 74.07127 2.770841       1.386299  3.387185       2.394404  2.460057       1.700259  283.2311 112.2530 259.6381 96.67203 23.59299       148.1425 
1 1 1 14  19 8  o 162.2584 57.03048 -1.700947      1.353399  -5.498043      3.777369  -1.141712      1.449641  180.1014 90.66609 144.4154 69.20665 35.68599       114.0610 
1 1 1 14  19 9  o 151.5179 52.01631 -1.872402      1.169876  0.1004393      1.898270  -3.080576      1.485514  184.7055 85.55141 118.3302 59.19242 66.37524       104.0326 
1 1 1 14  19 10 o 208.6408 66.16026 0.8914402      1.673560  2.310955       1.828964  -6.412896      4.148829  239.8695 97.06474 177.4121 89.92860 62.45746       132.3205 
1 1 1 14  19 11 o 175.6797 58.75345 -0.1335901     1.312893  0.3663647      2.216762  -0.4037071     1.629407  190.4973 89.60683 160.8620 76.01637 29.63527       117.5069 
1 1 1 14  19 12 o 280.1356 75.90454 4.079908       1.489817  5.965631       2.405370  2.906275       1.897619  319.2914 115.6311 240.9797 98.36391 78.31171       151.8091 
1 1 1 14  20 0  o 116.9750 57.72960 -2.298095      1.235240  0.000000       0.000000  -2.298095      1.235240  ?        ?        116.9750 57.72960 ?              ?        
1 1 1 14  20 1  o 257.6155 67.23861 2.030287       1.145146  1.555447       1.479601  2.739609       1.808393  232.1078 89.32276 283.1233 100.5264 -51.01547      134.4772 
1 1 1 14  20 2  f 232.8618 58.64505 0.8996978      1.158194  3.376617       1.571968  -2.041488      1.712967  316.7861 92.34541 148.9375 72.31387 167.8486       117.2901 
1 1 1 14  20 3  o 287.9860 81.41816 1.941222       1.564051  6.544000       3.335512  0.6439448      1.770798  370.7477 135.8737 205.2244 89.74409 165.5233       162.8363 
1 1 1 14  20 4  o 261.3737 68.17736 2.356688       1.239719  1.487743       1.798943  3.142594       1.710830  228.4360 94.76387 294.3113 98.04295 -65.87531      136.3547 
1 1 1 14  20 5  o 319.4922 70.67544 3.778331       1.317997  5.264901       1.969819  2.573356       1.773465  375.5724 101.2803 263.4120 98.60211 112.1605       141.3509 
1 1 1 14  20 6  o 195.6997 58.72312 0.1939651      1.162407  -1.877040      1.636886  2.300811       1.650989  142.3012 69.44756 249.0982 94.71354 -106.7970      117.4462 
1 1 1 14  20 7  o 195.5938 90.22641 0.4089299      2.079901  0.4089299      2.079901  0.000000       0.000000  195.5938 90.22641 ?        ?        ?              ?        
1 1 1 14  20 8  o 206.1347 62.74567 1.268815       1.180517  1.407543       1.752979  1.153689       1.596918  210.9343 90.77824 201.3351 86.64520 9.599167       125.4913 
1 1 1 14  20 9  o 148.6354 70.73734 -0.7391178     1.459636  0.000000       0.000000  -0.7391178     1.459636  ?        ?        148.6354 70.73734 ?              ?        
1 1 1 14  20 10 o 231.6182 78.04146 2.866748       2.496675  2.692348       3.127175  3.173333       4.146243  230.4055 107.7519 232.8309 112.9221 -2.425385      156.0829 
1 1 1 14  20 11 o 158.4822 54.42310 -0.8750467     1.337907  0.1431935      2.058281  -1.620041      1.760581  175.1802 83.54346 141.7842 69.77096 33.39594       108.8462 
1 1 1 14  21 0  o 146.7048 48.33487 -0.5940702     0.8182117 -0.8223134     1.004358  -0.1436782     1.410863  125.8590 59.53814 167.5507 76.15936 -41.69172      96.66973 
1 1 1 14  21 1  o 117.3997 58.23492 -2.512829      1.316525  0.000000       0.000000  -2.512829      1.316525  ?        ?        117.3997 58.23492 ?              ?        
1 1 1 14  21 2  f 245.1532 72.68324 2.082995       1.499838  1.097096       3.059800  2.394796       1.720741  233.6122 108.3493 256.6942 96.91147 -23.08203      145.3665 
1 1 1 14  21 3  o 268.8473 95.25516 2.715119       1.622887  2.715119       1.622887  0.000000       0.000000  268.8473 95.25516 ?        ?        ?              ?        
1 1 1 14  21 4  o 298.3499 68.48749 3.306050       1.234298  2.049325       1.620933  5.040405       1.904206  237.4109 92.89490 359.2888 100.6612 -121.8779      136.9750 
1 1 1 14  21 5  o 176.5715 57.81356 -0.6260040E-02 1.214451  0.1882783      1.831768  -0.1588394     1.622243  183.7032 84.71758 169.4397 78.69286 14.26343       115.6271 
1 1 1 14  21 6  o 174.4770 55.69286 0.1532130      1.060112  1.118325       1.573578  -0.6488421     1.434504  199.0046 85.82466 149.9494 70.99932 49.05518       111.3857 
1 1 1 14  21 7  o 182.7094 59.43645 0.3711393      1.276476  -0.7055396     2.233539  0.8933696      1.555541  175.4771 84.54938 189.9418 83.55938 -14.46471      118.8729 
1 1 1 14  21 8  o 159.3744 53.31601 -0.3990743     1.127614  -0.2589767     1.715927  -0.5055583     1.495978  165.7341 78.22411 153.0147 72.46638 12.71944       106.6320 
1 1 1 14  21 9  o 215.5713 65.14481 1.349140       1.375932  3.858044       2.057390  -0.6809918     1.850703  271.1154 105.0501 160.0271 77.07050 111.0883       130.2896 
1 1 1 14  21 10 o 178.8293 60.56754 0.1117756      1.418062  2.160938       2.494154  -0.8670264     1.723783  208.5558 97.09722 149.1028 72.42813 59.45293       121.1351 
1 1 1 14  22 0  o 210.1257 51.63956 1.087219       0.9748190 2.752597       1.159504  -2.927620      1.800321  284.3322 78.13720 135.9192 67.53633 148.4130       103.2791 
1 1 1 14  22 1  o 265.9659 80.42811 1.781569       1.563690  7.882800       3.557002  0.3200146      1.740937  347.5442 137.1100 184.3876 84.11639 163.1565       160.8562 
1 1 1 14  22 2  o 197.4627 55.57808 0.6327777E-01  0.9293449 -1.461827      1.142228  3.050124       1.598487  119.1472 58.11793 275.7782 94.75230 -156.6310      111.1562 
1 1 1 14  22 3  o 236.2828 73.44715 2.154114       1.481135  3.244021       3.441655  1.906374       1.640857  247.4163 114.8082 225.1493 91.63522 22.26701       146.8943 
1 1 1 14  22 4  o 227.0463 61.40726 1.795539       1.162363  3.241567       1.532615  -0.1624372     1.783399  282.7419 92.72964 171.3507 80.52715 111.3912       122.8145 
1 1 1 14  22 5  o 250.9724 68.90098 2.818472       1.265213  2.519572       1.881322  3.065282       1.709549  238.5441 97.72030 263.4006 97.16030 -24.85649      137.8020 
1 1 1 14  22 6  o 290.5198 69.75809 3.851547       1.275012  3.002206       1.859805  4.604723       1.751357  252.9136 99.34442 328.1259 97.95637 -75.21234      139.5162 
1 1 1 14  22 7  o 252.1929 67.78645 3.065470       1.401963  0.9685568      2.272594  4.353763       1.781307  195.7779 91.65273 308.6078 99.89889 -112.8299      135.5729 
1 1 1 14  22 8  o 221.0209 66.38976 2.305213       1.281342  2.489759       2.045314  2.185992       1.643926  222.3761 96.86795 219.6656 90.81300 2.710419       132.7795 
1 1 1 14  22 9  o 197.8052 62.52989 1.731775       1.288410  2.236904       1.845438  1.251429       1.799600  209.8095 91.68604 185.8009 85.05068 24.00861       125.0598 
1 1 1 14  23 0  o 204.1769 59.26962 0.8176267      0.9832774 -0.2707162     1.197055  3.075155       1.724042  145.0584 67.44541 263.2954 97.48163 -118.2369      118.5392 
1 1 1 14  23 1  o 204.5455 59.39627 1.349543       0.9194865 1.048115       1.100858  2.045014       1.672166  185.0119 75.15099 224.0791 91.99998 -39.06717      118.7925 
1 1 1 14  23 2  o 325.0106 69.48913 5.950194       1.749617  1.152387       3.504080  7.543574       2.019354  210.9294 102.6464 439.0918 93.69453 -228.1624      138.9783 
1 1 1 14  23 3  o 227.7454 54.44925 1.593430       1.031469  3.738315       1.366406  -1.247928      1.572682  313.6017 84.26266 141.8891 68.98325 171.7126       108.8985 
1 1 1 14  23 4  o 219.7497 64.61454 2.022127       1.171460  1.788650       1.525944  2.357214       1.828080  211.9623 87.55001 227.5371 95.05341 -15.57481      129.2291 
1 1 1 14  23 5  o 230.0685 66.47948 2.460813       1.295660  1.447121       1.939729  3.277451       1.741015  199.9652 90.25171 260.1717 97.63563 -60.20650      132.9590 
1 1 1 14  23 6  o 139.3557 48.26043 -1.306745      1.080462  -0.4664227     1.748914  -1.825431      1.374034  156.7282 75.34507 121.9832 60.32742 34.74494       96.52087 
1 1 1 14  23 7  o 235.7749 68.87290 3.139095       1.346314  2.981767       2.061392  3.256121       1.777866  226.4114 97.93619 245.1384 96.86283 -18.72699      137.7458 
1 1 1 14  23 8  o 139.5343 48.00311 -1.112027      1.043727  0.7632031      1.612430  -2.464380      1.369300  168.2813 78.25438 110.7872 55.61876 57.49402       96.00622 
1 1 1 14  24 0  o 412.0083 64.74610 6.628952       1.283234  6.016160       1.620567  7.659098       2.101165  402.2621 82.34714 421.7545 99.93587 -19.49237      129.4922 
1 1 1 14  24 1  o 177.9771 55.16039 0.8881149      0.9249104 0.9446104      1.125081  0.7703376      1.624455  176.4312 74.19135 179.5229 81.64752 -3.091705      110.3208 
1 1 1 14  24 2  o 180.6045 54.20544 1.034230       0.8980518 1.423098       1.076664  0.1450512      1.628072  196.4041 76.02380 164.8049 77.28713 31.59927       108.4109 
1 1 1 14  24 3  o 195.0809 58.31030 1.461660       0.9801583 1.468740       1.238607  1.449798       1.603196  195.7169 79.63087 194.4449 85.20144 1.271973       116.6206 
1 1 1 14  24 4  f 173.8011 54.72066 0.8395436      0.9954230 1.279520       1.315853  0.2508902      1.522028  186.2839 79.36763 161.3183 75.35372 24.96553       109.4413 
1 1 1 14  24 5  o 177.5573 55.33835 0.7846020      1.035168  -0.5210344     1.435040  2.201012       1.494677  141.5289 68.08955 213.5855 87.25333 -72.05659      110.6767 
1 1 1 14  24 6  o 178.2704 78.60323 0.4628254      1.274412  -3.959571      3.269715  1.254995       1.383853  ?        ?        178.2704 78.60323 ?              ?        
1 1 1 14  25 0  o 167.7480 53.63480 0.6964332      1.010141  1.197693       1.260195  -0.2045196     1.689497  180.6718 77.34057 154.8242 74.33173 25.84753       107.2696 
1 1 1 14  25 1  o 234.1926 63.79593 2.740637       1.056272  2.541811       1.362643  3.039970       1.671951  231.6752 86.48761 236.7101 93.80605 -5.034897      127.5919 
1 1 1 14  25 2  o 153.5830 49.85901 0.4073702      0.8424214 0.4114710      1.015418  0.3983153      1.508868  147.6016 66.06471 159.5644 74.69363 -11.96280      99.71803 
1 1 1 14  25 3  o 171.0132 59.06675 0.5698699      1.350605  1.850222       3.458028  0.3394005      1.467136  186.5033 92.82181 155.5231 73.07281 30.98016       118.1335 
1 1 1 14  25 4  o 194.6306 59.16636 1.967026       1.051126  1.981475       1.386372  1.947492       1.612058  197.6139 82.68419 191.6474 84.65197 5.966492       118.3327 
1 1 1 14  26 0  o 213.8089 62.61533 2.749862       1.097717  2.436646       1.446518  3.175157       1.685571  206.8694 85.32467 220.7483 91.66470 -13.87891      125.2307 
1 1 1 14  26 1  o 151.1368 50.05762 0.5198427      0.9413455 0.2629523      1.220848  0.8965166      1.478327  142.1036 66.73244 160.1700 74.63139 -18.06636      100.1152 
1 1 1 15  0  0  o 162.6752 71.46497 0.4803554      1.671876  0.4803554      1.671876  0.4803554      1.671876  162.6752 101.0667 162.6752 101.0667 0.000000       0.000000 
1 1 1 15  0  1  o 1132.807 41.36016 32.95910       3.334155  32.95910       3.334155  32.95910       3.334155  1132.807 58.49211 1132.807 58.49211 0.000000       0.000000 
1 1 1 15  0  2  o 178.2510 77.72222 0.6695814      1.940667  0.6695814      1.940667  0.6695814      1.940667  178.2510 109.9158 178.2510 109.9158 0.000000       0.000000 
1 1 1 15  0  3  o 254.7703 107.2266 2.004327       3.428955  2.004327       3.428955  2.004327       3.428955  254.7703 151.6413 254.7703 151.6413 0.000000       0.000000 
1 1 1 15  0  4  o 1166.755 58.72050 35.55651       4.848241  35.55651       4.848241  35.55651       4.848241  1166.755 83.04333 1166.755 83.04333 0.000000       0.000000 
1 1 1 15  0  5  o 274.6245 101.6139 2.960162       2.625933  2.960162       2.625933  2.960162       2.625933  274.6245 143.7037 274.6245 143.7037 0.000000       0.000000 
1 1 1 15  0  6  f 823.6130 44.79241 17.70278       2.605419  17.70278       2.605419  17.70278       2.605419  823.6130 63.34604 823.6130 63.34604 0.000000       0.000000 
1 1 1 15  0  7  o 1046.960 43.49760 28.46078       3.234810  28.46078       3.234810  28.46078       3.234810  1046.960 61.51490 1046.960 61.51490 0.000000       0.000000 
1 1 1 15  0  8  o 1049.597 43.90672 28.70924       3.273094  28.70924       3.273094  28.70924       3.273094  1049.597 62.09348 1049.597 62.09348 0.000000       0.000000 
1 1 1 15  0  9  o 341.8445 80.40331 3.978053       1.752264  3.978053       1.752264  3.978053       1.752264  341.8445 113.7075 341.8445 113.7075 0.000000       0.000000 
1 1 1 15  0  10 o 218.0464 83.68501 1.929443       1.837727  1.929443       1.837727  1.929443       1.837727  218.0464 118.3485 218.0464 118.3485 0.000000       0.000000 
1 1 1 15  0  11 o 141.8959 67.89697 -0.6865280     2.036383  -0.6865280     2.036383  -0.6865280     2.036383  141.8959 96.02081 141.8959 96.02081 0.000000       0.000000 
1 1 1 15  0  12 o 288.6124 95.39038 3.560381       2.200261  3.560381       2.200261  3.560381       2.200261  288.6124 134.9024 288.6124 134.9024 0.000000       0.000000 
1 1 1 15  0  13 o 574.9399 70.56292 9.948816       2.642406  9.948816       2.642406  9.948816       2.642406  574.9399 99.79104 574.9399 99.79104 0.000000       0.000000 
1 1 1 15  0  14 o 855.9196 74.73883 22.47930       4.392564  22.47930       4.392564  22.47930       4.392564  855.9196 105.6967 855.9196 105.6967 0.000000       0.000000 
1 1 1 15  0  15 o 802.3209 50.71230 18.27192       2.859598  18.27192       2.859598  18.27192       2.859598  802.3209 71.71802 802.3209 71.71802 0.000000       0.000000 
1 1 1 15  0  16 o 97.19630 49.61007 -2.614258      1.765387  -2.614258      1.765387  -2.614258      1.765387  97.19630 70.15923 97.19630 70.15923 0.000000       0.000000 
1 1 1 15  0  17 o 296.7452 94.57892 4.536359       2.154766  4.536359       2.154766  4.536359       2.154766  296.7452 133.7548 296.7452 133.7548 0.000000       0.000000 
1 1 1 15  1  0  o 479.5920 126.7132 6.383736       3.122780  0.000000       0.000000  6.383736       3.122780  ?        ?        479.5920 126.7132 ?              ?        
1 1 1 15  1  1  o 1142.935 58.62097 33.58244       3.380606  0.000000       0.000000  33.58244       3.380606  ?        ?        1142.935 58.62097 ?              ?        
1 1 1 15  1  2  o 427.1201 88.68179 4.926562       1.854905  0.000000       0.000000  4.926562       1.854905  ?        ?        427.1201 88.68179 ?              ?        
1 1 1 15  1  3  o 831.3274 69.43411 17.97219       2.895576  0.000000       0.000000  17.97219       2.895576  ?        ?        831.3274 69.43411 ?              ?        
1 1 1 15  1  4  o 542.0985 79.89404 8.804090       2.001702  6.169211       3.503908  10.08060       2.438848  467.0895 138.3536 617.1075 79.94074 -150.0181      159.7881 
1 1 1 15  1  5  o 1526.478 53.37919 61.18601       3.830486  61.74184       4.659049  60.02658       6.728940  1547.016 59.48656 1505.939 88.64931 41.07629       106.7584 
1 1 1 15  1  6  o 457.8301 80.51912 6.173015       1.800435  6.716468       2.182523  5.015444       3.185307  495.6938 90.29523 419.9664 133.3420 75.72736       161.0382 
1 1 1 15  1  7  o 632.1880 53.08080 10.63926       1.657302  12.05105       2.417360  9.387167       2.276533  673.3772 72.02566 590.9989 77.99097 82.37830       106.1616 
1 1 1 15  1  8  o 896.7317 46.02879 21.25151       2.073841  20.69964       2.961431  21.78259       2.905089  884.3643 66.63298 909.0992 63.51883 -24.73492      92.05757 
1 1 1 15  1  9  o 234.2574 65.11932 0.7254704      1.251280  -0.9769580     1.902056  2.024372       1.661411  190.9982 87.43287 277.5165 96.52769 -86.51823      130.2386 
1 1 1 15  1  10 o 554.0831 54.60696 8.420346       1.484939  7.963491       2.000247  8.981267       2.216387  538.1624 75.49218 570.0039 78.92155 -31.84155      109.2139 
1 1 1 15  1  11 o 830.5250 46.54917 18.61853       1.938514  19.88559       2.774058  17.40931       2.710009  859.5138 64.21360 801.5362 67.40857 57.97760       93.09834 
1 1 1 15  1  12 o 305.2162 76.21942 1.639693       1.676442  -0.8083887     2.151729  5.421111       2.674250  202.6863 92.86081 407.7462 120.8903 -205.0600      152.4388 
1 1 1 15  1  13 o 161.4694 77.10020 -1.799302      1.764410  0.000000       0.000000  -1.799302      1.764410  ?        ?        161.4694 77.10020 ?              ?        
1 1 1 15  1  14 o 255.0641 75.34730 1.592415       1.628602  2.325937       1.811349  -1.502450      3.720629  273.8285 100.1622 236.2998 112.5895 37.52873       150.6946 
1 1 1 15  1  15 o 432.6915 71.14771 6.239961       1.525839  6.849217       2.262218  5.731451       2.066731  451.9196 101.3723 413.4633 99.85810 38.45630       142.2954 
1 1 1 15  1  16 o 574.6804 61.41996 10.39326       1.710106  10.06055       2.246270  10.85195       2.637470  572.4886 79.66048 576.8722 93.50857 -4.383545      122.8399 
1 1 1 15  1  17 o 366.6393 77.90012 5.311867       1.579583  4.544728       2.205747  6.119411       2.263091  334.6699 111.3167 398.6087 109.0060 -63.93878      155.8002 
1 1 1 15  2  0  o 1050.154 59.83617 28.37698       3.168098  0.000000       0.000000  28.37698       3.168098  ?        ?        1050.154 59.83617 ?              ?        
1 1 1 15  2  1  o 692.2532 68.51110 12.46386       2.369575  0.000000       0.000000  12.46386       2.369575  ?        ?        692.2532 68.51110 ?              ?        
1 1 1 15  2  2  o 790.1362 89.75786 16.50811       3.526810  0.000000       0.000000  16.50811       3.526810  ?        ?        790.1362 89.75786 ?              ?        
1 1 1 15  2  3  o 267.6818 77.81184 -0.5073527     2.003284  -4.739608      3.082801  2.586099       2.635611  202.1865 97.88985 333.1771 120.9806 -130.9906      155.6237 
1 1 1 15  2  4  o 495.7643 95.40054 6.688335       2.307553  0.000000       0.000000  6.688335       2.307553  ?        ?        495.7643 95.40054 ?              ?        
1 1 1 15  2  5  o 1178.813 41.97924 35.95353       2.489913  39.91240       3.548688  32.11469       3.494476  1244.791 56.31031 1112.835 62.27501 131.9554       83.95849 
1 1 1 15  2  6  o 358.4561 88.88854 3.137164       2.141322  5.039920       2.934094  0.9688256      3.132174  419.8764 127.1166 297.0357 124.2822 122.8407       177.7771 
1 1 1 15  2  7  o 857.9252 62.87322 20.94408       2.364585  22.47960       2.838338  17.46097       4.274837  927.2312 60.80000 788.6191 110.0706 138.6121       125.7464 
1 1 1 15  2  8  o 630.7638 52.01354 10.71385       1.622952  9.756467       2.293703  11.67373       2.296701  600.3232 77.26218 661.2043 69.65765 -60.88104      104.0271 
1 1 1 15  2  9  o 331.5516 72.12038 3.078362       1.371491  4.193588       1.979872  2.049513       1.901654  379.5616 101.1874 283.5417 102.7935 96.01987       144.2408 
1 1 1 15  2  10 o 392.6325 80.99135 5.004370       1.672295  5.566732       1.903125  3.098813       3.503243  441.8348 88.16892 343.4301 135.8846 98.40472       161.9827 
1 1 1 15  2  11 o 284.5474 79.69779 1.793653       1.770060  2.808185       2.370150  0.5142648      2.661609  314.2792 114.6334 254.8157 110.7526 59.46352       159.3956 
1 1 1 15  2  12 o 199.5294 65.64907 -1.230239      1.596125  -0.6958135     2.039111  -2.075707      2.564757  199.3530 90.97909 199.7059 94.66788 -0.3529053     131.2981 
1 1 1 15  2  13 o 232.4117 77.44131 -1.284131      1.943745  0.6240575      3.986782  -1.879149      2.226265  280.8360 127.7959 183.9874 87.50330 96.84862       154.8826 
1 1 1 15  2  14 o 366.2038 65.37762 3.888674       1.560926  -0.1209012E-05 2.126225  8.434335       2.298830  210.0461 94.67484 522.3615 90.18650 -312.3153      130.7552 
1 1 1 15  2  15 o 343.6799 88.73212 4.686194       1.930095  4.693203       2.199229  4.662696       4.026477  360.4007 110.2557 326.9592 139.0584 33.44147       177.4642 
1 1 1 15  2  16 o 224.2622 64.95068 0.6731963      1.312369  2.773832       1.911739  -1.199030      1.804814  281.4052 102.9055 167.1192 79.27692 114.2859       129.9014 
1 1 1 15  2  17 o 469.4734 71.96947 7.659407       1.643480  6.082077       2.106948  10.11045       2.626444  406.5448 102.4167 532.4020 101.1398 -125.8572      143.9389 
1 1 1 15  3  0  o 325.6933 72.47913 2.677173       1.411417  3.957389       1.972529  1.334033       2.020423  381.1922 100.7043 270.1943 104.2667 110.9979       144.9583 
1 1 1 15  3  1  o 324.3743 73.61400 2.728969       1.374004  3.035897       1.953276  2.428333       1.933152  338.0953 103.9871 310.6532 104.2246 27.44211       147.2280 
1 1 1 15  3  2  o 914.5510 44.33436 21.67290       2.031515  19.49435       2.874199  23.84781       2.871796  867.3023 65.95215 961.7998 59.26599 -94.49750      88.66872 
1 1 1 15  3  3  o 597.8871 77.54186 9.884468       2.246932  11.38981       3.133337  8.290867       3.223881  650.4174 98.21430 545.3569 120.0205 105.0604       155.0837 
1 1 1 15  3  4  f 484.1450 91.82766 6.620430       2.288331  7.113056       3.423043  6.222387       3.076933  499.3220 133.0191 468.9679 126.6301 30.35406       183.6553 
1 1 1 15  3  5  f 1311.241 57.05461 45.30620       3.767625  43.69813       5.304413  46.94347       5.352365  1286.947 81.83808 1335.536 79.52008 -48.58899      114.1092 
1 1 1 15  3  6  o 1252.890 54.80725 43.46796       3.165107  35.72316       5.412092  47.49366       3.901942  1150.888 93.69904 1354.891 56.88433 -204.0034      109.6145 
1 1 1 15  3  7  o 670.6804 79.86894 12.76569       2.589700  10.22367       3.563308  15.61149       3.770221  592.1215 122.8907 749.2393 102.0493 -157.1179      159.7379 
1 1 1 15  3  8  o 1007.007 44.55156 26.76114       2.256805  25.33958       3.199819  28.16819       3.183454  979.0482 64.92453 1034.966 61.02599 -55.91742      89.10312 
1 1 1 15  3  9  o 296.8898 71.62330 2.372278       1.311281  1.761710       1.848867  2.990251       1.860047  270.2909 100.7747 323.4888 101.8039 -53.19785      143.2466 
1 1 1 15  3  10 o 458.3001 79.40926 6.276143       1.829909  7.665755       2.759493  5.185435       2.444762  504.6021 111.0316 411.9982 113.5575 92.60382       158.8185 
1 1 1 15  3  11 o 445.4872 80.36375 6.184691       1.819808  6.452930       2.545571  5.904305       2.602570  457.4742 111.0319 433.5004 116.2120 23.97379       160.7275 
1 1 1 15  3  12 o 451.7086 84.39016 6.518147       1.832700  6.929198       3.472855  6.359489       2.157597  442.7169 139.0704 460.7002 95.63593 -17.98325      168.7803 
1 1 1 15  3  13 o 318.1545 77.37737 3.240326       1.615790  4.461976       2.153765  1.667560       2.443752  369.1261 108.2320 267.1830 110.6114 101.9431       154.7547 
1 1 1 15  3  14 o 644.6727 64.80762 12.86100       2.049189  14.18509       2.986304  11.68273       2.817076  679.4656 88.94845 609.8798 94.27771 69.58582       129.6152 
1 1 1 15  3  15 o 213.5535 70.94936 -0.3286644     1.723325  0.5055277E-01  1.938366  -1.758940      3.764451  200.0519 90.26194 227.0551 109.4898 -27.00319      141.8987 
1 1 1 15  3  16 o 225.6761 69.36674 1.040516       1.474996  1.199671       1.963726  0.8344824      2.234287  227.2029 96.88313 224.1492 99.30075 3.053650       138.7335 
1 1 1 15  3  17 o 328.1987 79.16399 4.402473       1.552067  3.960207       1.996437  5.078113       2.467580  315.9198 105.9172 340.4776 117.6830 -24.55780      158.3280 
1 1 1 15  4  0  o 546.8453 59.63717 7.908807       1.591380  8.992037       2.335748  6.970369       2.174045  583.1841 81.32396 510.5065 87.25125 72.67767       119.2743 
1 1 1 15  4  1  o 1195.652 40.94008 36.65738       2.476792  37.70240       3.577443  35.69533       3.432477  1211.886 58.30790 1179.418 57.48523 32.46814       81.88017 
1 1 1 15  4  2  o 573.0615 58.44244 8.791140       1.629910  9.740003       2.254618  7.752378       2.359007  608.6633 74.73674 537.4597 89.86932 71.20367       116.8849 
1 1 1 15  4  3  o 480.0038 83.29750 6.768102       1.964980  5.084905       3.419789  7.597720       2.400882  429.7498 138.3449 530.2579 92.81478 -100.5080      166.5950 
1 1 1 15  4  4  o 730.5972 50.36553 13.95153       1.825688  14.34241       2.767887  13.65050       2.429003  738.3137 75.09510 722.8807 67.13770 15.43304       100.7311 
1 1 1 15  4  5  o 1039.020 49.63266 27.67748       2.476133  30.24211       4.257040  26.36615       3.044046  1070.133 79.13657 1007.907 59.92500 62.22668       99.26531 
1 1 1 15  4  6  o 739.7772 55.55533 14.34202       1.946807  15.47090       3.355540  13.76923       2.390215  755.9954 89.40279 723.5591 65.97515 32.43634       111.1107 
1 1 1 15  4  7  o 588.5985 70.86029 9.836360       1.989758  10.42923       2.599421  8.997416       3.092177  618.3245 85.30988 558.8726 113.1678 59.45184       141.7206 
1 1 1 15  4  8  o 343.4571 117.0934 3.322458       2.440387  3.322458       2.440387  0.000000       0.000000  343.4571 117.0934 ?        ?        ?              ?        
1 1 1 15  4  9  o 297.5118 78.97461 2.053137       1.768999  -0.4055025     2.908911  3.496004       2.228416  249.2076 111.6606 345.8160 111.7133 -96.60834      157.9492 
1 1 1 15  4  10 o 256.2600 80.11083 0.7518566E-01  2.047358  -0.4167843     2.821766  0.6220831      2.975121  242.8593 109.3026 269.6608 117.1492 -26.80147      160.2217 
1 1 1 15  4  11 o 543.4812 65.06245 8.637115       1.700657  8.137003       2.591827  9.015238       2.253659  521.7216 101.7806 565.2409 81.07527 -43.51935      130.1249 
1 1 1 15  4  12 o 820.6950 71.21796 20.36677       2.372171  19.42465       4.813721  20.66894       2.726175  768.8805 128.1751 872.5095 62.12204 -103.6290      142.4359 
1 1 1 15  4  13 o 426.7586 76.58226 5.987327       1.659653  5.648586       2.403141  6.296216       2.294813  410.7696 112.3268 442.7476 104.1252 -31.97797      153.1645 
1 1 1 15  4  14 o 340.8977 68.43861 3.291147       1.475544  0.5468161      1.932943  7.123663       2.284245  214.7584 93.84201 467.0370 99.64460 -252.2786      136.8772 
1 1 1 15  4  15 o 239.2200 70.10764 1.258181       1.446507  0.5992495E-01  1.993312  2.591159       2.102383  201.7353 91.22975 276.7047 106.4775 -74.96935      140.2153 
1 1 1 15  4  16 o 214.7332 72.21893 -1.566085      1.645902  -2.848730      1.859291  3.079386       3.538418  145.0292 71.43192 284.4373 125.5380 -139.4081      144.4379 
1 1 1 15  5  0  o 1501.053 41.30389 57.84699       3.137183  58.23980       4.517248  57.48102       4.360212  1505.662 59.26016 1496.444 57.55239 9.217407       82.60777 
1 1 1 15  5  1  o 1556.271 41.20784 62.24615       3.245603  60.95204       4.616582  63.51085       4.563823  1539.899 59.21677 1572.642 57.32119 -32.74365      82.41569 
1 1 1 15  5  2  o 699.2628 49.45399 12.72805       1.723446  12.05245       2.344069  13.52297       2.542666  679.2029 69.13280 719.3228 70.73502 -40.11993      98.90797 
1 1 1 15  5  3  o 806.9354 47.50562 16.97433       1.921895  16.76092       2.754419  17.17682       2.682932  801.4915 68.54004 812.3792 65.79815 -10.88770      95.01123 
1 1 1 15  5  4  o 551.7676 67.81615 8.842031       1.746130  5.049658       2.557588  12.15299       2.389749  423.4923 115.9109 680.0428 70.43275 -256.5504      135.6323 
1 1 1 15  5  5  o 1207.086 41.78350 37.72725       2.553330  38.18838       3.629708  37.27554       3.592487  1214.412 59.03669 1199.760 59.14486 14.65161       83.56701 
1 1 1 15  5  6  o 1660.962 53.74786 72.11658       4.245173  75.77522       7.427170  70.34135       5.173563  1679.263 87.66575 1642.661 62.20971 36.60229       107.4957 
1 1 1 15  5  7  o 1044.855 55.09260 29.23514       2.702077  29.38738       4.729903  29.16138       3.292171  1036.190 91.08834 1053.521 61.99752 -17.33081      110.1852 
1 1 1 15  5  8  o 259.8496 74.36620 0.4319341      1.746564  2.691614       2.298672  -2.654438      2.686443  316.6906 113.2418 203.0086 96.42418 113.6820       148.7324 
1 1 1 15  5  9  o 494.6932 80.81947 6.553561       1.768643  5.645831       2.029257  9.422338       3.607506  442.8532 93.44691 546.5332 131.8895 -103.6800      161.6389 
1 1 1 15  5  10 o 324.6934 79.62164 3.073825       1.522991  3.222263       1.784133  2.675157       2.923890  330.3161 98.92739 319.0706 124.7870 11.24554       159.2433 
1 1 1 15  5  11 o 344.7314 81.92082 3.741378       1.879488  1.129161       3.088145  5.278244       2.368705  279.0981 120.2991 410.3647 111.2304 -131.2666      163.8416 
1 1 1 15  5  12 o 338.6816 89.19186 3.447396       1.821096  4.369575       3.846305  3.180939       2.067519  357.9127 142.1393 319.4506 107.7830 38.46207       178.3837 
1 1 1 15  5  13 o 413.6846 80.48423 5.835806       1.738268  5.723683       2.431726  5.952965       2.485727  409.9297 113.3640 417.4395 114.2779 -7.509735      160.9685 
1 1 1 15  5  14 o 398.2813 77.74030 5.600039       1.628456  6.188448       2.302057  5.010681       2.303912  423.6514 107.2336 372.9113 112.5840 50.74011       155.4806 
1 1 1 15  5  15 o 222.3266 68.19620 0.4294950      1.600090  -2.489065      2.603192  2.201738       2.028540  182.9006 88.88270 261.7526 103.4541 -78.85197      136.3924 
1 1 1 15  5  16 o 322.3863 86.20575 4.379253       1.849602  4.307840       2.108115  4.618039       3.854868  335.5482 108.6832 309.2243 133.8420 26.32394       172.4115 
1 1 1 15  6  0  o 467.0359 62.84269 5.880605       1.430516  5.634517       1.974453  6.152508       2.075431  456.6022 88.60929 477.4696 89.13591 -20.86734      125.6854 
1 1 1 15  6  1  o 659.4357 52.82451 11.69348       1.681860  9.581237       2.503309  13.43141       2.270689  599.7860 84.80387 719.0854 63.00809 -119.2994      105.6490 
1 1 1 15  6  2  o 391.5789 78.50510 4.063640       1.720651  6.186779       2.520729  2.211285       2.354502  472.1295 107.8248 311.0282 114.1316 161.1013       157.0102 
1 1 1 15  6  3  o 634.9133 61.28423 10.78525       1.912782  9.813334       2.662338  11.82219       2.749954  603.6517 89.85443 666.1749 83.36191 -62.52319      122.5685 
1 1 1 15  6  4  o 266.4214 73.63273 1.305756       1.442076  0.9246534      2.179474  1.602526       1.923275  259.7308 105.6483 273.1121 102.5941 -13.38135      147.2655 
1 1 1 15  6  5  o 654.7422 53.31414 11.40530       1.721548  13.14538       2.490999  9.814248       2.381935  704.9413 70.75161 604.5432 79.77343 100.3982       106.6283 
1 1 1 15  6  6  f 479.0903 67.25676 6.528819       1.572714  4.315612       2.207664  8.809403       2.241016  387.8222 108.2905 570.3583 79.79384 -182.5362      134.5135 
1 1 1 15  6  7  o 838.3250 62.18557 19.65749       2.371744  18.13714       4.178016  20.38038       2.880936  799.4896 105.8230 877.1602 65.34268 -77.67059      124.3711 
1 1 1 15  6  8  o 560.7668 78.38602 8.528981       2.102044  13.41614       3.523128  5.827611       2.619343  681.8212 105.4691 439.7124 115.9903 242.1088       156.7720 
1 1 1 15  6  9  o 612.7507 78.45271 10.37533       2.377863  10.37533       2.377863  0.000000       0.000000  612.7507 78.45271 ?        ?        ?              ?        
1 1 1 15  6  10 o 253.5513 71.29061 1.331424       1.367301  1.031939       1.849570  1.692319       2.030362  239.3164 97.33225 267.7863 104.1914 -28.46991      142.5812 
1 1 1 15  6  11 o 561.0241 78.57147 9.011695       1.856001  11.37698       3.915769  8.326344       2.107810  579.9388 135.7648 542.1094 79.13170 37.82947       157.1429 
1 1 1 15  6  12 f 403.3378 72.48167 5.197136       1.642700  8.035616       2.332768  2.405093       2.313607  517.1382 92.49624 289.5373 111.6191 227.6009       144.9633 
1 1 1 15  6  13 o 669.2795 67.35676 13.44793       2.150993  11.94120       2.682116  16.16370       3.600855  628.7900 86.54724 709.7690 103.2342 -80.97900      134.7135 
1 1 1 15  6  14 o 735.5736 80.66266 18.64067       2.613423  18.83861       4.705524  18.55238       3.142694  687.9961 139.8606 783.1511 80.40439 -95.15497      161.3253 
1 1 1 15  6  15 o 564.3315 98.17039 10.62947       2.702924  0.000000       0.000000  10.62947       2.702924  ?        ?        564.3315 98.17039 ?              ?        
1 1 1 15  6  16 o 369.4889 78.49757 5.238923       1.617713  3.931448       2.161830  6.902737       2.438694  314.8706 110.0760 424.1071 111.9408 -109.2366      156.9951 
1 1 1 15  7  0  o 498.2189 64.78921 6.797830       1.550205  3.734225       2.114786  10.35587       2.279060  369.0292 106.9757 627.4086 73.12163 -258.3794      129.5784 
1 1 1 15  7  1  f 768.4391 50.95543 15.75943       1.909606  18.77983       2.645399  12.47312       2.759389  850.7913 61.83930 686.0869 81.00448 164.7044       101.9109 
1 1 1 15  7  2  o 1883.066 44.90142 91.79806       4.279440  90.46001       6.093948  93.09993       6.010990  1868.930 64.40535 1897.201 62.58194 -28.27063      89.80283 
1 1 1 15  7  3  o 1323.740 45.20258 45.51090       3.022237  43.36626       4.242785  47.72002       4.306095  1290.699 65.13989 1356.781 62.68882 -66.08264      90.40517 
1 1 1 15  7  4  o 1042.472 44.40503 28.26510       2.309661  33.79797       3.371049  23.36990       3.170845  1140.667 58.57198 944.2778 66.75740 196.3889       88.81006 
1 1 1 15  7  5  o 250.7948 68.12709 0.5896123      1.361289  2.671660       2.003658  -1.195350      1.855208  315.9692 106.1078 185.6204 85.47717 130.3488       136.2542 
1 1 1 15  7  6  o 284.8626 67.10983 1.763848       1.400971  -1.268950      2.201507  3.827895       1.816177  202.8407 93.29822 366.8846 96.49021 -164.0439      134.2197 
1 1 1 15  7  7  o 208.8885 66.08028 -0.7134824     1.387092  0.4163289      2.300508  -1.358846      1.738693  244.3793 104.5510 173.3977 80.84243 70.98157       132.1606 
1 1 1 15  7  8  f 331.0865 89.26324 2.609637       2.114067  1.245201       2.800414  4.417516       3.223520  281.3391 117.5982 380.8338 134.3219 -99.49469      178.5265 
1 1 1 15  7  9  o 471.0356 78.39044 6.975068       1.733179  7.351401       2.059715  6.062306       3.207743  511.0558 82.41078 431.0154 133.3743 80.04044       156.7809 
1 1 1 15  7  10 o 766.3975 80.16644 17.99734       3.006516  18.57265       4.155787  17.36557       4.354911  786.0984 107.2187 746.6967 119.2090 39.40173       160.3329 
1 1 1 15  7  11 o 229.6810 67.31330 0.8025938      1.285928  1.418588       1.917634  0.2992543      1.733437  250.9754 100.1447 208.3866 89.97421 42.58887       134.6266 
1 1 1 15  7  12 o 324.9268 63.25344 2.460437       1.600538  -2.936434      2.389768  6.850434       2.155345  176.2410 85.53429 473.6128 93.20878 -297.3718      126.5069 
1 1 1 15  7  13 f 527.2352 85.86252 10.10733       2.149640  9.640090       3.797449  10.32765       2.607666  480.3905 144.4301 574.0799 92.89471 -93.68936      171.7250 
1 1 1 15  7  14 o 490.3732 67.07947 7.821257       1.602459  6.870209       2.191511  8.914028       2.349129  453.5958 98.27220 527.1506 91.33013 -73.55487      134.1589 
1 1 1 15  7  15 o 200.0480 64.09025 0.1588454      1.383378  0.6291916      1.686729  -0.8076507     2.417890  202.6985 88.13364 197.3975 93.07364 5.301025       128.1805 
1 1 1 15  7  16 f 283.4586 84.88675 3.484012       2.095754  3.019004       2.814083  4.063109       3.140380  272.3857 116.0598 294.5314 123.9079 -22.14563      169.7735 
1 1 1 15  8  0  o 929.2606 44.18399 22.41895       2.066189  21.90549       2.891125  22.95497       2.953953  918.3155 62.55851 940.2056 62.41260 -21.89014      88.36798 
1 1 1 15  8  1  o 370.1528 78.03891 3.789977       1.576741  4.104561       2.211600  3.464791       2.248558  383.8509 108.8138 356.4547 111.8921 27.39621       156.0778 
1 1 1 15  8  2  o 892.6720 47.45657 21.03378       2.106191  23.47167       2.914446  18.36873       3.047194  950.1183 60.90996 835.2258 72.79068 114.8925       94.91315 
1 1 1 15  8  3  o 579.3907 77.16854 10.48614       2.007294  12.51442       2.470171  6.542928       3.444203  687.5314 72.03584 471.2499 136.4946 216.2815       154.3371 
1 1 1 15  8  4  o 372.4127 71.51037 3.914958       1.404088  3.059236       1.985323  4.771297       1.986038  332.9261 105.2243 411.8992 96.86479 -78.97308      143.0207 
1 1 1 15  8  5  o 638.3516 55.65927 10.85547       1.714579  14.30686       2.580216  8.126299       2.294428  733.0175 70.39345 543.6857 86.23560 189.3317       111.3185 
1 1 1 15  8  6  o 624.4365 57.94002 10.76601       1.764819  9.662840       2.589693  11.72257       2.411487  589.4431 89.60223 659.4300 73.48214 -69.98688      115.8800 
1 1 1 15  8  7  o 600.4946 72.68159 11.54918       1.945555  14.60049       2.482086  6.687278       3.133117  738.0950 67.15803 462.8941 128.9196 275.2009       145.3632 
1 1 1 15  8  8  o 676.1986 67.96228 12.75081       2.147318  11.96769       2.628354  14.32266       3.723695  656.7525 80.75050 695.6448 109.3382 -38.89227      135.9246 
1 1 1 15  8  9  o 973.4128 66.21091 25.62075       3.243556  0.000000       0.000000  25.62075       3.243556  ?        ?        973.4128 66.21091 ?              ?        
1 1 1 15  8  10 o 359.1845 88.81581 4.144605       2.268508  6.208628       2.867860  0.6943035      3.707910  433.5874 124.2533 284.7816 126.9414 148.8059       177.6316 
1 1 1 15  8  11 o 414.5670 68.49078 6.119035       1.913307  10.15068       2.390214  -1.072035      3.192219  593.0604 81.78324 236.0735 109.8884 356.9869       136.9816 
1 1 1 15  8  12 o 318.2639 79.16660 3.335813       1.594853  4.073448       2.327624  2.683051       2.189623  344.3608 114.3417 292.1670 109.5234 52.19382       158.3332 
1 1 1 15  8  13 o 246.2933 73.44090 1.445944       1.607905  0.3218620      2.593393  2.147857       2.049327  228.3999 103.6012 264.1866 104.1203 -35.78671      146.8818 
1 1 1 15  8  14 o 600.8110 69.98563 12.11061       1.973195  12.39777       2.515721  11.65151       3.180912  635.1866 80.00569 566.4355 114.8522 68.75116       139.9713 
1 1 1 15  8  15 o 388.5399 67.83762 5.073553       1.481061  2.296755       1.957616  8.790499       2.264897  259.0812 101.8734 517.9986 89.60789 -258.9174      135.6752 
1 1 1 15  8  16 o 259.4209 80.68314 1.914485       2.142064  -0.7224002     2.839856  5.394918       3.262625  201.8149 96.75353 317.0269 129.1427 -115.2120      161.3663 
1 1 1 15  9  0  o 433.5871 69.47065 5.245999       1.494019  5.962237       2.104348  4.518052       2.121479  465.6549 92.52332 401.5193 103.6538 64.13553       138.9413 
1 1 1 15  9  1  o 537.9918 62.57892 7.877409       1.642816  7.896291       2.388896  7.860468       2.262814  537.5705 91.02511 538.4131 85.90061 -0.8426514     125.1578 
1 1 1 15  9  2  o 945.8356 64.17277 23.90961       2.764300  23.54817       3.294861  24.76874       5.079823  946.0133 69.27666 945.6579 108.0431 0.3554077      128.3455 
1 1 1 15  9  3  o 435.7273 73.93942 5.536151       1.674803  3.338779       2.425347  7.539032       2.315525  348.6197 116.7423 522.8350 90.77103 -174.2153      147.8788 
1 1 1 15  9  4  o 372.6411 69.60213 3.918349       1.387369  2.479426       1.938442  5.429523       1.986513  305.2558 104.3575 440.0264 92.12674 -134.7705      139.2043 
1 1 1 15  9  5  f 444.8288 68.37894 5.635337       1.492566  5.729281       2.197315  5.554856       2.033774  446.9415 99.64945 442.7160 93.66272 4.225525       136.7579 
1 1 1 15  9  6  o 487.5569 65.26907 6.792588       1.541927  8.751360       2.216522  4.955800       2.146395  563.9078 79.87245 411.2061 103.2502 152.7017       130.5381 
1 1 1 15  9  7  o 946.8898 54.89963 24.96531       2.504187  26.51044       3.211597  22.56895       3.999579  996.3596 64.00671 897.4200 89.21333 98.93958       109.7993 
1 1 1 15  9  8  o 651.1365 63.18761 12.10082       1.979592  9.365584       2.746531  15.05802       2.855797  564.7568 99.70467 737.5161 77.65098 -172.7592      126.3752 
1 1 1 15  9  9  o 219.8033 96.52701 0.9815078E-01  2.067848  0.000000       0.000000  0.9815078E-01  2.067848  ?        ?        219.8033 96.52701 ?              ?        
1 1 1 15  9  10 o 938.8309 51.69371 24.14047       2.335692  26.00656       3.946328  23.13431       2.897748  954.9392 82.43504 922.7226 62.39731 32.21661       103.3874 
1 1 1 15  9  11 o 573.8669 85.51614 10.56590       2.220923  9.834070       2.629828  12.38578       4.147108  568.5818 94.68911 579.1521 142.4290 -10.57025      171.0323 
1 1 1 15  9  12 o 359.5577 76.95195 4.593457       1.600493  3.189205       2.452001  5.635876       2.112609  305.4308 115.5949 413.6845 101.6082 -108.2537      153.9039 
1 1 1 15  9  13 o 206.1185 67.12151 -0.5323993     1.603385  1.053688       2.492608  -1.651922      2.094145  238.1428 105.2222 174.0941 83.36346 64.04874       134.2430 
1 1 1 15  9  14 o 234.5458 71.73838 1.325233       1.566769  1.541379       2.143627  1.077337       2.295672  239.0468 101.5612 230.0448 101.3455 9.001999       143.4768 
1 1 1 15  9  15 o 220.6837 69.37565 0.8952041      1.524374  0.4632598      1.968350  1.542476       2.409528  203.4652 91.45769 237.9021 104.3428 -34.43684      138.7513 
1 1 1 15  10 0  o 693.6083 53.01688 12.95088       1.795661  10.48401       2.556175  15.35422       2.523045  623.1661 83.09252 764.0504 65.86948 -140.8843      106.0338 
1 1 1 15  10 1  o 845.0551 48.90460 18.85084       2.064262  21.16344       2.967551  16.68274       2.873342  897.1961 65.79091 792.9141 72.37539 104.2820       97.80920 
1 1 1 15  10 2  o 645.9456 58.27480 11.18966       1.845613  9.473029       2.487105  13.29348       2.753334  588.8513 85.95979 703.0399 78.70655 -114.1886      116.5496 
1 1 1 15  10 3  o 314.2323 75.57226 2.520296       1.499129  3.782560       2.159475  1.346099       2.082781  363.0475 108.8613 265.4171 104.8517 97.63037       151.1445 
1 1 1 15  10 4  f 341.6909 77.11344 3.345597       1.520720  2.766663       2.253708  3.829524       2.060502  319.7843 112.3572 363.5975 105.6493 -43.81323      154.2269 
1 1 1 15  10 5  o 302.1689 74.06853 2.464010       1.440650  1.349135       2.203239  3.296710       1.904112  266.6214 107.0091 337.7165 102.4385 -71.09512      148.1371 
1 1 1 15  10 6  o 248.3072 67.90451 0.1399498      1.435711  -2.311678      1.933702  3.151660       2.143230  167.0395 80.01733 329.5748 109.7329 -162.5353      135.8090 
1 1 1 15  10 7  o 342.4639 81.88387 3.697164       1.823124  4.767218       2.121051  0.6704453      3.567255  397.8107 104.1072 287.1171 126.4182 110.6936       163.7677 
1 1 1 15  10 8  o 385.6871 83.01910 5.142614       2.181289  -0.4643162     4.047678  7.437356       2.589466  277.5235 127.2266 493.8508 106.6869 -216.3274      166.0382 
1 1 1 15  10 9  o 269.4473 72.62772 1.754454       1.414722  2.784234       2.055227  0.8271099      1.950330  305.3792 107.2957 233.5154 97.91210 71.86383       145.2554 
1 1 1 15  10 10 o 263.2460 71.96470 1.833752       1.346966  1.502246       2.240750  2.021318       1.685485  259.6823 106.5444 266.8097 96.76761 -7.127319      143.9294 
1 1 1 15  10 11 o 623.7479 57.19323 11.32564       1.753051  12.98275       2.628986  9.998882       2.352387  666.1321 79.52727 581.3636 82.21724 84.76843       114.3865 
1 1 1 15  10 12 o 355.1148 75.92991 4.741177       1.984546  7.750237       2.483706  -0.5722677     3.300447  478.0030 105.4615 232.2267 109.2669 245.7762       151.8598 
1 1 1 15  10 13 o 218.3012 70.67381 -0.7020704E-01 1.710552  1.670084       2.761725  -1.153364      2.178790  252.8284 111.2788 183.7739 87.15601 69.05453       141.3476 
1 1 1 15  10 14 o 458.7956 81.65147 8.242287       1.926425  6.928745       2.814490  9.400105       2.642398  404.1601 124.9097 513.4312 105.1923 -109.2711      163.3029 
1 1 1 15  10 15 o 396.1487 83.37016 7.032383       2.025261  9.744765       2.816290  4.127453       2.914538  496.9552 114.3180 295.3422 121.3826 201.6130       166.7403 
1 1 1 15  11 0  o 1328.282 41.29736 46.04174       2.766007  51.19246       3.943663  41.05457       3.880549  1403.343 55.50758 1253.221 61.16205 150.1226       82.59473 
1 1 1 15  11 1  o 679.7600 52.24596 12.40196       1.768096  12.27493       2.531118  12.52301       2.470899  675.6100 75.28024 683.9100 72.46689 -8.299927      104.4919 
1 1 1 15  11 2  o 327.3199 73.77493 2.425004       1.576743  0.1236127      2.119030  5.279819       2.360102  229.6313 99.31247 425.0084 109.1238 -195.3771      147.5499 
1 1 1 15  11 3  o 905.9117 48.45005 22.01727       2.183499  20.86031       3.263960  22.95446       2.937624  880.3712 73.91518 931.4521 62.65921 -51.08093      96.90011 
1 1 1 15  11 4  o 465.9220 68.01118 6.343013       1.545434  5.282494       2.281495  7.242210       2.100815  422.4734 106.6543 509.3705 84.42127 -86.89709      136.0224 
1 1 1 15  11 5  o 280.4045 82.36521 1.353605       1.917191  0.6164759      3.109832  1.805516       2.434960  275.3176 119.6895 285.4914 113.1836 -10.17377      164.7304 
1 1 1 15  11 6  o 201.4225 65.76869 -1.370349      1.602520  -0.2818174     2.215106  -2.565680      2.321229  219.5193 97.96349 183.3257 87.77950 36.19353       131.5374 
1 1 1 15  11 7  o 300.4369 82.43926 1.262961       1.647560  5.072618       3.325089  0.2327926E-01  1.896774  390.2933 136.5119 210.5804 92.46306 179.7129       164.8785 
1 1 1 15  11 8  o 234.7393 77.47363 -1.253676      1.991995  0.1030941      3.784056  -1.773790      2.342900  275.6176 125.0670 193.8611 91.47076 81.75644       154.9473 
1 1 1 15  11 9  o 246.8184 73.33804 1.060513       1.536440  1.260034       2.365573  0.9149321      2.020670  257.0016 107.8000 236.6352 99.46377 20.36638       146.6761 
1 1 1 15  11 10 o 417.6351 66.89475 5.500458       1.447137  3.127931       2.011997  8.043315       2.082969  311.7042 106.3202 523.5659 81.21360 -211.8617      133.7895 
1 1 1 15  11 11 o 210.7324 67.99077 -0.8246510E-01 1.329076  0.8495068      2.848020  -0.3419347     1.502744  248.1529 110.8865 173.3119 78.70943 74.84105       135.9815 
1 1 1 15  11 12 o 210.8953 70.92976 -1.382663      2.148733  0.3363441      2.626258  -4.863426      3.737108  225.4549 103.0305 196.3357 97.51326 29.11923       141.8595 
1 1 1 15  11 13 o 217.2541 70.65676 -2.490801      1.617995  4.254704       3.137427  -4.934786      1.888494  308.9948 126.3429 125.5133 63.30072 183.4815       141.3135 
1 1 1 15  11 14 o 189.2539 88.42621 -0.3994668     2.098121  -0.3994668     2.098121  0.000000       0.000000  189.2539 88.42621 ?        ?        ?              ?        
1 1 1 15  11 15 o 253.8104 74.35577 2.594751       1.565101  2.759170       1.992754  2.330049       2.528462  261.3351 102.7760 246.2856 107.4812 15.04953       148.7115 
1 1 1 15  12 0  o 944.9501 44.33793 23.58427       2.106863  23.19280       2.904170  24.01920       3.061133  937.3826 61.53751 952.5176 63.84782 -15.13501      88.67587 
1 1 1 15  12 1  o 1018.465 45.25042 27.49427       2.316584  25.33704       3.244361  29.73816       3.308881  976.0890 66.04182 1060.842 61.87794 -84.75281      90.50084 
1 1 1 15  12 2  o 259.8547 76.20424 0.8942645      1.698819  -0.8283494     2.836687  1.857571       2.121288  238.6765 108.2970 281.0330 107.2386 -42.35652      152.4085 
1 1 1 15  12 3  o 418.5980 79.60342 5.321129       1.733959  5.893636       2.390555  4.685523       2.518849  444.8885 107.3650 392.3074 117.5566 52.58109       159.2068 
1 1 1 15  12 4  o 846.3214 69.38445 19.37033       2.946764  19.37033       2.946764  0.000000       0.000000  846.3214 69.38445 ?        ?        ?              ?        
1 1 1 15  12 5  o 925.7781 61.78481 24.25570       2.847331  22.72477       4.114864  25.66215       3.944033  891.8896 92.47375 959.6666 81.96374 -67.77698      123.5696 
1 1 1 15  12 6  f 817.7355 64.69937 19.90080       2.365606  17.12769       4.116923  21.26772       2.890417  749.2947 111.9603 886.1763 64.87627 -136.8816      129.3987 
1 1 1 15  12 7  o 466.8981 82.23083 6.782089       1.882394  8.001884       3.126688  6.088620       2.357515  491.5518 125.2746 442.2444 106.5547 49.30734       164.4617 
1 1 1 15  12 8  o 402.9832 81.05895 5.399920       1.767693  4.348435       2.613246  6.286890       2.400121  360.9539 121.1786 445.0126 107.6938 -84.05865      162.1179 
1 1 1 15  12 9  o 306.5861 83.14855 2.849662       1.720705  3.315234       3.075517  2.637522       2.076039  320.1335 127.1125 293.0387 107.2247 27.09482       166.2971 
1 1 1 15  12 10 o 271.9784 73.78448 1.939598       1.401963  3.477117       2.331149  1.068394       1.754768  317.6269 113.9899 226.3299 93.71714 91.29703       147.5690 
1 1 1 15  12 11 o 276.6555 86.56615 2.143567       2.330075  1.560483       2.961134  3.091650       3.775858  258.2932 114.3775 295.0179 129.9715 -36.72470      173.1323 
1 1 1 15  12 12 o 224.4855 73.07004 0.3652570      1.751169  -0.6941639E-01 2.090123  1.389024       3.207678  198.5927 91.18259 250.3783 114.2045 -51.78557      146.1401 
1 1 1 15  12 13 o 238.6599 78.71593 -0.9557500     1.986854  -3.169293      2.302770  5.492329       3.930264  159.4129 78.70096 317.9069 136.3486 -158.4940      157.4319 
1 1 1 15  12 14 o 289.5442 72.75230 3.475914       1.626755  5.091493       2.017180  0.4707857      2.751137  361.9091 104.3527 217.1793 101.4007 144.7299       145.5046 
1 1 1 15  13 0  o 542.4384 61.91681 8.417411       1.602888  6.342925       2.289027  10.41332       2.245260  466.5033 99.93014 618.3734 73.13505 -151.8701      123.8336 
1 1 1 15  13 1  o 725.4921 50.69810 14.27372       1.833780  14.44096       2.686728  14.12786       2.509089  727.9851 73.92380 722.9991 69.40074 4.985962       101.3962 
1 1 1 15  13 2  o 338.8878 77.44324 3.269346       1.619125  4.912776       2.291887  1.631920       2.287697  402.6099 109.5303 275.1656 109.5122 127.4443       154.8865 
1 1 1 15  13 3  o 279.8199 85.57150 0.7622326      2.092484  1.962111       3.673532  0.1859434      2.545866  315.6947 133.4759 243.9452 107.1173 71.74945       171.1430 
1 1 1 15  13 4  o 419.6805 78.28795 5.356285       1.657775  4.944304       2.123651  5.998975       2.652440  403.6591 103.4436 435.7018 117.5391 -32.04272      156.5759 
1 1 1 15  13 5  o 277.3321 78.21222 1.844499       1.617989  0.9640081      2.952425  2.222440       1.934318  271.1964 117.2576 283.4678 103.5339 -12.27139      156.4244 
1 1 1 15  13 6  o 466.0325 81.76606 7.065387       1.823694  6.733070       3.349678  7.205388       2.174168  437.3928 136.4491 494.6721 90.13539 -57.27939      163.5321 
1 1 1 15  13 7  o 479.0811 79.31740 8.321984       2.014932  4.172526       3.323776  10.73293       2.533554  350.7182 134.1384 607.4439 84.68700 -256.7257      158.6348 
1 1 1 15  13 8  o 444.4661 85.09887 7.127657       1.977545  7.824841       2.405766  5.675112       3.472518  502.4185 98.10088 386.5138 139.0809 115.9047       170.1977 
1 1 1 15  13 9  o 279.8541 82.36417 1.734153       1.926985  0.3476147      2.460263  3.934758       3.099465  230.2984 102.9739 329.4099 128.5760 -99.11156      164.7283 
1 1 1 15  13 10 o 390.9834 76.22540 5.642531       1.613777  4.258559       2.614294  6.494546       2.051231  333.0974 120.5609 448.8694 93.30764 -115.7720      152.4508 
1 1 1 15  13 11 o 262.3423 73.18272 2.312805       1.443571  2.750532       2.037969  1.872016       2.045084  277.2150 105.2717 247.4696 101.6893 29.74535       146.3654 
1 1 1 15  13 12 o 287.3120 81.57689 3.392534       1.779345  2.976814       3.560169  3.530954       2.054326  273.9270 123.0770 300.6969 107.1038 -26.76987      163.1538 
1 1 1 15  13 13 o 326.7988 128.7836 5.480828       3.134871  5.480828       3.134871  0.000000       0.000000  326.7988 128.7836 ?        ?        ?              ?        
1 1 1 15  13 14 o 302.7943 74.58716 4.071487       1.588821  5.580952       2.101596  2.057896       2.427299  368.4206 106.5960 237.1679 104.3564 131.2527       149.1743 
1 1 1 15  14 0  o 315.6679 65.81566 2.490176       1.480742  5.425928       1.978366  -1.249317      2.232818  431.0026 93.36601 200.3332 92.78789 230.6694       131.6313 
1 1 1 15  14 1  o 351.4760 67.89595 3.440144       1.575415  6.688615       2.157123  -0.2731484     2.306296  479.8213 92.14933 223.1308 99.73937 256.6905       135.7919 
1 1 1 15  14 2  o 427.3907 101.5774 5.509373       2.165524  5.509373       2.165524  0.000000       0.000000  427.3907 101.5774 ?        ?        ?              ?        
1 1 1 15  14 3  o 229.5374 100.1432 0.2792170      2.193584  0.2792170      2.193584  0.000000       0.000000  229.5374 100.1432 ?        ?        ?              ?        
1 1 1 15  14 4  o 219.7436 94.77487 0.3850005      1.919143  0.000000       0.000000  0.3850005      1.919143  ?        ?        219.7436 94.77487 ?              ?        
1 1 1 15  14 5  o 622.2339 76.07236 10.94110       2.346522  0.000000       0.000000  10.94110       2.346522  ?        ?        622.2339 76.07236 ?              ?        
1 1 1 15  14 6  o 338.3419 85.66519 3.720256       1.790747  3.644881       2.161139  3.885386       3.198777  336.0718 110.1091 340.6120 131.2635 -4.540131      171.3304 
1 1 1 15  14 7  o 358.5887 81.59885 4.364837       1.682775  4.578347       2.413845  4.162960       2.347163  366.3174 116.0524 350.8600 114.7403 15.45740       163.1977 
1 1 1 15  14 8  o 211.5967 67.63535 -0.9983961E-01 1.553364  -0.6312938     2.341963  0.3176178      2.075645  206.6075 95.45927 216.5859 95.84201 -9.978348      135.2707 
1 1 1 15  14 9  o 224.5448 68.92271 0.8297423      1.451857  0.9240752      1.965886  0.7165584      2.153371  224.5542 96.37417 224.5355 98.55649 0.1864624E-01  137.8454 
1 1 1 15  14 10 o 184.2537 59.31372 -0.1251380     1.213003  -0.4387881     1.864189  0.1051704      1.597431  183.5551 84.93439 184.9523 82.81678 -1.397171      118.6274 
1 1 1 15  14 11 o 305.1942 74.49825 3.580126       1.407236  4.090389       2.018860  3.097908       1.962596  324.9710 106.4205 285.4173 104.2815 39.55368       148.9965 
1 1 1 15  14 12 f 197.6520 67.84888 -1.929453      1.753588  1.965450       3.327521  -3.427093      2.063365  250.0549 114.8993 145.2492 72.19446 104.8057       135.6978 
1 1 1 15  14 13 o 271.3061 79.39726 3.293713       1.812132  2.479334       2.616782  4.044128       2.511916  249.8065 109.1712 292.8056 115.3141 -42.99910      158.7945 
1 1 1 15  14 14 o 262.5820 77.47437 3.614708       1.846573  2.100694       3.408405  4.243719       2.196925  230.6887 109.2901 294.4753 109.8398 -63.78667      154.9487 
1 1 1 15  15 0  o 309.3654 77.26246 2.609317       1.489972  1.816701       1.889028  3.914275       2.423847  266.5703 101.3225 352.1603 116.6692 -85.59000      154.5249 
1 1 1 15  15 1  o 341.7203 131.7166 3.615528       3.221395  3.615528       3.221395  0.000000       0.000000  341.7203 131.7166 ?        ?        ?              ?        
1 1 1 15  15 2  o 441.8107 104.5973 7.317464       3.087258  10.53302       4.156611  3.360974       4.610693  538.2462 147.9530 345.3752 147.8928 192.8711       209.1946 
1 1 1 15  15 3  o 410.9448 99.60955 6.162364       2.491474  6.322042       3.206135  5.918939       3.958604  423.3446 133.7095 398.5450 147.6822 24.79959       199.2191 
1 1 1 15  15 4  o 272.6788 85.81072 0.8684578      2.352761  1.270824       2.953834  0.1701704      3.891278  271.5883 117.3565 273.7692 125.2253 -2.180939      171.6214 
1 1 1 15  15 5  o 210.1986 68.63815 -0.9661445     1.756676  0.2564606      2.195279  -3.142779      2.929135  223.4398 98.73548 196.9573 95.37341 26.48251       137.2763 
1 1 1 15  15 6  o 233.0390 67.55843 1.062555       1.333105  -0.2010668     2.135367  1.869589       1.706514  208.8293 94.43243 257.2486 96.63894 -48.41925      135.1169 
1 1 1 15  15 7  o 289.3081 74.72775 0.5157024      1.556479  6.536963       2.945256  -1.817549      1.833412  416.3810 127.6285 162.2352 77.76839 254.1457       149.4555 
1 1 1 15  15 8  o 319.3569 78.61061 3.638726       1.580218  2.878804       2.198854  4.450402       2.272497  289.6374 109.5020 349.0764 112.8176 -59.43896      157.2212 
1 1 1 15  15 9  o 310.7227 79.91765 3.732588       1.627439  4.032996       2.352283  3.456770       2.253958  320.2917 114.5521 301.1537 111.4681 19.13791       159.8353 
1 1 1 15  15 10 o 237.4456 68.94587 1.773458       1.327931  1.683284       1.963040  1.849537       1.803094  235.4931 98.44883 239.3982 96.55029 -3.905060      137.8917 
1 1 1 15  15 11 o 265.6397 73.60538 2.616763       1.546195  1.081569       2.222093  4.057771       2.152851  219.6885 98.07269 311.5909 109.7850 -91.90236      147.2108 
1 1 1 15  15 12 o 356.3945 86.34869 6.092149       1.884164  6.412694       2.637565  5.758112       2.692504  369.8839 121.6640 342.9051 122.5653 26.97885       172.6974 
1 1 1 15  15 13 o 251.1032 74.89276 2.942115       1.764668  0.7351766      3.712083  3.586484       2.005811  220.2439 106.8242 281.9625 104.9967 -61.71857      149.7855 
1 1 1 15  16 0  o 443.2774 104.1746 7.513862       2.744206  7.058685       4.121696  7.876296       3.677897  425.3547 151.6862 461.2001 142.8309 -35.84543      208.3492 
1 1 1 15  16 1  o 538.7607 95.37474 10.70394       2.764314  14.10122       3.785983  6.824801       4.045577  659.7808 117.6580 417.7406 150.1398 242.0402       190.7495 
1 1 1 15  16 2  o 262.8509 80.24964 1.001014       1.630690  0.6264429      1.836172  2.399200       3.547555  220.1312 93.77117 305.5706 130.2574 -85.43941      160.4993 
1 1 1 15  16 3  o 285.6646 84.84415 2.025536       2.055752  1.995608       2.679404  2.068367       3.205313  280.3732 115.9264 290.9560 123.9160 -10.58282      169.6883 
1 1 1 15  16 4  o 256.2593 78.12025 1.176291       1.861614  2.137463       2.106150  -2.256856      3.980476  273.4250 106.1922 239.0937 114.6050 34.33131       156.2405 
1 1 1 15  16 5  o 251.3251 80.99834 0.3648433      2.253940  -0.1808283     3.612212  0.7127604      2.884333  252.6391 117.3639 250.0110 111.6630 2.628036       161.9967 
1 1 1 15  16 6  o 223.9983 71.02075 0.1986501      1.722138  1.233646       2.149712  -1.655501      2.877289  240.2928 101.8790 207.7037 98.97711 32.58913       142.0415 
1 1 1 15  16 7  o 341.4251 74.03426 4.329930       1.568847  2.186347       2.479162  5.761683       2.026137  267.2229 111.0827 415.6273 97.90258 -148.4044      148.0685 
1 1 1 15  16 8  o 399.9337 79.79246 7.359087       2.047713  3.011652       3.986614  8.917156       2.386608  283.1310 128.4357 516.7365 94.71860 -233.6055      159.5849 
1 1 1 15  16 9  o 257.8335 71.46822 1.891727       1.419395  4.248037       2.266364  0.3710236      1.820688  319.9005 112.6497 195.7664 87.98217 124.1340       142.9364 
1 1 1 15  16 10 o 446.0475 68.82377 7.240088       1.512541  6.409708       2.200296  7.984053       2.082661  407.1062 105.7898 484.9888 88.06453 -77.88260      137.6475 
1 1 1 15  16 11 o 409.9948 76.62994 6.831809       1.625412  6.283981       2.376327  7.313458       2.228179  381.6554 114.1412 438.3341 102.2760 -56.67871      153.2599 
1 1 1 15  16 12 o 261.5537 76.22092 2.842513       1.714879  5.136498       2.570997  1.003925       2.301699  313.8257 118.4643 209.2817 95.94129 104.5440       152.4418 
1 1 1 15  17 0  o 350.6920 85.97337 3.122116       1.601680  2.017466       1.798557  7.355352       3.520855  265.3263 99.30141 436.0577 140.3742 -170.7315      171.9467 
1 1 1 15  17 1  o 173.5562 56.66329 -0.8114743     1.174422  -0.3208331     1.624502  -1.348668      1.699823  182.6314 82.49563 164.4810 77.70061 18.15039       113.3266 
1 1 1 15  17 2  o 398.8037 99.77589 5.115766       2.009521  0.000000       0.000000  5.115766       2.009521  ?        ?        398.8037 99.77589 ?              ?        
1 1 1 15  17 3  o 253.3684 73.92355 1.166184       1.455253  3.042695       2.598581  0.3087683      1.756534  302.9054 117.8680 203.8315 89.25198 99.07390       147.8471 
1 1 1 15  17 4  o 268.1631 80.77248 1.419144       1.785943  3.644139       3.256273  0.4618879      2.135847  316.1391 128.9257 220.1870 97.33933 95.95209       161.5450 
1 1 1 15  17 5  o 313.2939 68.26423 3.009660       1.321792  5.327508       1.993221  1.190266       1.765941  399.6522 99.01968 226.9356 93.99533 172.7166       136.5285 
1 1 1 15  17 6  o 187.5005 64.24203 -2.068565      1.811067  -1.964000      2.266956  -2.253044      3.011087  176.1080 84.93296 198.8931 96.40823 -22.78506      128.4841 
1 1 1 15  17 7  o 260.2193 78.98464 2.262510       1.933355  3.035604       2.382854  0.7730626      3.307452  280.8574 111.7700 239.5811 111.6322 41.27626       157.9693 
1 1 1 15  17 8  o 239.4325 69.48599 1.894847       1.329764  2.053645       2.108508  1.789976       1.713492  244.7529 102.1509 234.1120 94.22530 10.64098       138.9720 
1 1 1 15  17 9  o 254.8169 71.01849 2.475962       1.332555  2.755948       2.081824  2.281625       1.734420  261.5346 104.3484 248.0992 96.36351 13.43538       142.0370 
1 1 1 15  17 10 o 235.4967 67.38967 1.984208       1.264097  2.585600       1.802834  1.402589       1.772949  255.5528 98.52705 215.4406 91.96679 40.11221       134.7793 
1 1 1 15  17 11 o 203.0070 68.66780 -0.1292797     1.786390  2.302747       3.215581  -1.214929      2.148424  237.1476 110.3554 168.8663 81.74805 68.28133       137.3356 
1 1 1 15  17 12 o 211.9160 70.18933 1.220883       1.632079  3.236061       3.315841  0.5765771      1.874922  237.8943 111.1564 185.9376 85.73460 51.95673       140.3787 
1 1 1 15  18 0  f 313.8558 73.10049 2.923880       1.350463  1.773730       1.686267  4.980845       2.255084  249.3787 95.50422 378.3329 110.6963 -128.9542      146.2010 
1 1 1 15  18 1  o 370.4184 108.0683 4.750871       2.152044  0.000000       0.000000  4.750871       2.152044  ?        ?        370.4184 108.0683 ?              ?        
1 1 1 15  18 2  o 179.5365 81.78468 -0.3369915     1.638230  0.000000       0.000000  -0.3369915     1.638230  ?        ?        179.5365 81.78468 ?              ?        
1 1 1 15  18 3  o 299.6756 87.18821 2.682353       2.364031  5.859850       3.332288  -0.5372841     3.354311  366.7265 135.5750 232.6246 109.6657 134.1019       174.3764 
1 1 1 15  18 4  o 299.8272 79.35558 3.369409       1.732190  1.864046       2.736223  4.376181       2.237672  258.8117 112.3915 340.8427 112.0597 -82.03101      158.7112 
1 1 1 15  18 5  o 254.9302 79.43427 1.609634       1.679304  3.399945       3.671825  1.136114       1.888370  288.1668 127.4977 221.6936 94.78159 66.47324       158.8685 
1 1 1 15  18 6  o 258.0267 81.33036 2.075635       1.934193  3.627834       3.805076  1.534826       2.246010  281.9849 126.9176 234.0686 101.7371 47.91623       162.6607 
1 1 1 15  18 7  f 315.1607 86.62675 4.249581       1.849993  2.942705       2.210942  7.301014       3.378406  268.1916 107.3525 362.1298 135.9861 -93.93820      173.2535 
1 1 1 15  18 8  o 317.0381 88.03487 2.496883       1.984579  -0.5327929     2.262954  12.58862       4.130100  185.7088 88.29245 448.3675 152.3319 -262.6587      176.0697 
1 1 1 15  18 9  o 244.4164 71.45928 2.416164       1.436283  2.305557       2.274649  2.489504       1.852235  240.2248 103.3954 248.6079 98.66667 -8.383179      142.9186 
1 1 1 15  18 10 o 209.5316 66.92111 1.113729       1.570027  2.081798       2.078920  -0.1713382     2.395233  229.9496 98.90948 189.1136 90.17016 40.83600       133.8422 
1 1 1 15  18 11 f 208.1950 63.77085 0.8244302      1.525756  3.390427       1.952807  -3.196692      2.444584  264.2097 102.3534 152.1803 76.09646 112.0295       127.5417 
1 1 1 15  19 0  o 211.9589 70.11011 0.5035185E-02  1.549187  -1.952416      3.954097  0.3599939      1.683801  227.0661 110.1603 196.8517 86.75497 30.21443       140.2202 
1 1 1 15  19 1  o 386.2981 93.82223 5.088114       1.858245  10.41027       4.193820  3.787956       2.072832  452.3929 153.5034 320.2033 107.9219 132.1896       187.6445 
1 1 1 15  19 2  o 330.3467 93.10674 3.752634       1.985164  8.810786       4.291940  2.375995       2.239070  396.3026 152.2239 264.3908 107.2537 131.9118       186.2135 
1 1 1 15  19 3  o 205.9580 62.97991 0.4406502      1.189255  -0.4560258     1.496709  1.976344       1.958718  164.8489 76.21717 247.0670 100.2837 -82.21809      125.9598 
1 1 1 15  19 4  o 163.0770 56.29324 -2.523180      1.539044  -4.111122      2.186705  -0.9644331     2.166510  144.7214 72.30757 181.4327 86.29793 -36.71133      112.5865 
1 1 1 15  19 5  o 277.4127 102.3383 3.047686       1.896708  0.000000       0.000000  3.047686       1.896708  ?        ?        277.4127 102.3383 ?              ?        
1 1 1 15  19 6  f 269.3319 81.55473 2.791700       1.640064  5.665467       3.839380  2.150270       1.813885  298.0945 131.2038 240.5693 96.90337 57.52519       163.1095 
1 1 1 15  19 7  f 250.8645 71.16270 2.616518       1.668431  -1.190920      3.229270  4.002952       1.948666  197.1424 96.49525 304.5865 104.6193 -107.4442      142.3254 
1 1 1 15  19 8  o 216.5401 73.95972 0.2714476      1.782592  -0.6630608     1.967171  4.561872       4.215029  170.7807 81.50842 262.2995 123.4364 -91.51883      147.9194 
1 1 1 15  19 9  o 193.2229 87.79533 -0.6871671     1.710833  0.7785953      1.872657  -8.085440      4.207184  193.2229 87.79533 ?        ?        ?              ?        
1 1 1 15  19 10 o 190.9602 89.60790 0.6655169      2.194249  0.6655169      2.194249  0.000000       0.000000  190.9602 89.60790 ?        ?        ?              ?        
1 1 1 15  20 0  o 232.6832 74.41537 1.210863       1.475739  1.810933       3.932934  1.112532       1.592067  255.0808 119.7830 210.2856 88.33250 44.79523       148.8307 
1 1 1 15  20 1  o 303.8441 79.52335 4.289532       1.828865  1.470291       4.192451  4.952103       2.032442  250.1081 119.2644 357.5800 105.2229 -107.4719      159.0467 
1 1 1 15  20 2  o 224.2893 64.44549 1.315639       1.185794  0.2571761      1.568283  2.728497       1.811907  181.7839 81.68109 266.7947 99.70497 -85.01083      128.8910 
1 1 1 15  20 3  o 227.5487 65.71304 1.696136       1.194818  1.320196       1.605139  2.163274       1.789272  212.4636 88.93943 242.6338 96.76048 -30.17021      131.4261 
1 1 1 15  20 4  o 157.9980 54.28900 -1.580416      1.339955  -1.829229      1.748250  -1.226115      2.086189  147.0385 71.76208 168.9574 81.48242 -21.91888      108.5780 
1 1 1 15  20 5  o 293.0008 78.22054 4.069526       1.593549  4.645128       2.295678  3.534256       2.213790  310.8499 112.9040 275.1517 108.2890 35.69824       156.4411 
1 1 1 15  20 6  o 273.0533 70.19678 3.214247       1.469971  5.005629       1.969634  0.9619797      2.208521  341.2370 104.3333 204.8697 93.94099 136.3673       140.3936 
1 1 1 15  20 7  o 417.5489 104.9649 7.305551       2.216447  0.000000       0.000000  7.305551       2.216447  ?        ?        417.5489 104.9649 ?              ?        
1 1 1 15  20 8  o 247.6373 96.17426 2.717989       1.727478  0.000000       0.000000  2.717989       1.727478  ?        ?        247.6373 96.17426 ?              ?        
1 1 1 15  20 9  o 173.0979 86.42802 -2.060498      3.100428  -2.060498      3.100428  0.000000       0.000000  173.0979 86.42802 ?        ?        ?              ?        
1 1 1 15  21 0  f 291.9016 80.86358 4.255304       1.751805  4.069419       4.211760  4.294189       1.926340  263.8725 123.9258 319.9306 103.9137 -56.05811      161.7272 
1 1 1 15  21 1  o 443.9050 65.48400 7.537168       1.411428  8.821362       1.842859  5.715030       2.195166  526.0878 71.00509 361.7221 110.0495 164.3656       130.9680 
1 1 1 15  21 2  o 192.4083 58.44492 0.1813095      1.093526  -1.350864      1.407660  2.513177       1.736584  136.3110 66.03397 248.5056 96.45078 -112.1946      116.8898 
1 1 1 15  21 3  o 190.2154 58.60546 0.7924404      1.106693  1.508549       1.469130  -0.1470302     1.682723  210.6574 86.33199 169.7734 79.27920 40.88405       117.2109 
1 1 1 15  21 4  o 168.7249 56.83283 -0.6604834     1.269881  -1.438925      1.602143  0.6549966      2.082717  142.8967 69.50859 194.5530 89.93575 -51.65627      113.6657 
1 1 1 15  21 5  o 216.9574 66.73455 1.769407       1.352872  1.979401       2.119312  1.624982       1.757565  221.9283 97.58427 211.9864 91.05664 9.941910       133.4691 
1 1 1 15  21 6  o 204.4586 63.05570 1.239649       1.272482  2.476129       1.845873  0.1199165      1.756570  235.5110 96.67319 173.4062 80.98383 62.10480       126.1114 
1 1 1 15  21 7  o 259.0152 68.64255 3.339619       1.458010  0.9693305      2.381703  4.760296       1.843889  196.4984 92.56623 321.5320 101.3839 -125.0336      137.2851 
1 1 1 15  21 8  o 260.5727 82.53374 4.355198       1.894208  9.875437       4.171453  2.921277       2.126039  290.5331 131.6272 230.6123 99.60695 59.92079       165.0675 
1 1 1 15  22 0  f 192.4667 68.93591 -2.043720      1.340948  6.050056       4.068731  -3.029986      1.420301  271.5472 125.5895 113.3861 56.88515 158.1612       137.8718 
1 1 1 15  22 1  o 173.2009 53.68939 0.4572878      0.9861688 1.274429       1.200807  -1.235676      1.728418  196.3669 78.93366 150.0349 72.79890 46.33195       107.3788 
1 1 1 15  22 2  o 180.4732 56.96613 0.2249947      1.047441  -0.8115028     1.315277  2.021984       1.731832  138.5158 66.25835 222.4307 92.68436 -83.91490      113.9323 
1 1 1 15  22 3  o 256.1676 66.64019 2.949716       1.207653  3.664563       1.602620  2.010450       1.837039  292.5090 94.76308 219.8262 93.72095 72.68277       133.2804 
1 1 1 15  22 4  o 132.2442 47.20250 -2.758747      1.127423  -3.332866      1.331025  -1.300829      2.121053  104.4855 52.74988 160.0029 78.29275 -55.51745      94.40500 
1 1 1 15  22 5  o 243.4656 69.63773 2.665211       1.334036  4.533062       2.139882  1.477786       1.706168  286.7762 108.1193 200.1549 87.79443 86.62125       139.2755 
1 1 1 15  22 6  o 256.5569 70.40752 3.287987       1.385718  5.254018       2.086701  1.737030       1.853382  310.0905 108.1610 203.0232 90.16693 107.0673       140.8150 
1 1 1 15  22 7  o 159.5548 54.74246 -0.3649225     1.340341  0.9162005E-01  2.145111  -0.6573250     1.716721  169.6665 82.02225 149.4431 72.52102 20.22346       109.4849 
1 1 1 15  23 0  o 270.3009 63.26882 3.331619       1.143586  4.205482       1.454515  1.916918       1.850668  327.7660 86.42138 212.8358 92.42900 114.9302       126.5376 
1 1 1 15  23 1  o 166.9599 54.25734 0.2738671      0.9391241 -0.4525458E-01 1.106913  1.093699       1.774181  143.6102 66.09223 190.3096 86.06541 -46.69948      108.5147 
1 1 1 15  23 2  o 189.2508 58.60793 0.5416949      1.063490  -0.6985674     1.313436  2.902815       1.812221  137.5935 65.92101 240.9081 96.92255 -103.3146      117.2159 
1 1 1 15  23 3  o 204.9037 61.93460 1.750477       1.132954  1.496385       1.519003  2.069047       1.700850  196.5544 84.54607 213.2530 90.52924 -16.69865      123.8692 
1 1 1 15  23 4  o 199.5122 63.81173 1.714399       1.350922  1.505298       1.708260  2.063485       2.207198  193.8588 86.30571 205.1655 94.01633 -11.30672      127.6235 
1 1 1 15  23 5  f 191.9442 63.45095 1.530120       1.694694  2.586422       1.941460  -1.850860      3.473407  214.9975 93.99480 168.8908 85.25883 46.10670       126.9019 
1 1 1 15  23 6  o 192.0043 61.27235 1.114603       1.280318  4.028965       2.065220  -0.7046713     1.631713  241.9755 101.0532 142.0331 69.32136 99.94238       122.5447 
1 1 1 15  24 0  o 190.3948 94.97969 -2.873270      0.9091670 -3.118150      0.9377671 0.9586846      3.709619  ?        ?        190.3948 94.97969 ?              ?        
1 1 1 15  24 1  o 197.0880 59.73784 1.634609       1.009783  1.390064       1.213369  2.185540       1.821217  187.6628 77.83647 206.5132 90.64173 -18.85036      119.4757 
1 1 1 15  24 2  f 195.9449 65.81790 1.953833       1.641867  2.897625       3.543298  1.695780       1.852782  200.3064 98.64868 191.5833 87.15746 8.723053       131.6358 
1 1 1 15  24 3  o 203.2189 60.43884 1.762627       1.059739  0.7059091      1.347871  3.473350       1.714979  162.4034 74.05884 244.0344 95.53378 -81.63107      120.8777 
1 1 1 15  24 4  o 181.2987 58.16212 1.511974       1.246762  2.233373       1.530771  0.9046096E-01  2.148809  202.6155 85.94124 159.9819 78.39281 42.63364       116.3242 
1 1 1 15  25 0  o 131.3152 45.69566 -0.8887472     0.9657425 -1.412614      1.190714  0.1183586      1.650953  112.3103 55.65287 150.3202 72.49229 -38.00985      91.39133 
1 1 1 16  0  0  o 442.7099 80.49545 5.974401       2.205344  5.974401       2.205344  5.974401       2.205344  442.7099 113.8378 442.7099 113.8378 0.000000       0.000000 
1 1 1 16  0  1  o 372.6565 87.82597 4.636867       2.087794  4.636867       2.087794  4.636867       2.087794  372.6565 124.2047 372.6565 124.2047 0.000000       0.000000 
1 1 1 16  0  2  o 552.8499 65.50703 8.529184       2.374115  8.529184       2.374115  8.529184       2.374115  552.8499 92.64094 552.8499 92.64094 0.000000       0.000000 
1 1 1 16  0  3  o 385.3163 97.83690 5.176674       2.469028  5.176674       2.469028  5.176674       2.469028  385.3163 138.3623 385.3163 138.3623 0.000000       0.000000 
1 1 1 16  0  4  o 760.7661 55.64175 15.44590       2.956489  15.44590       2.956489  15.44590       2.956489  760.7661 78.68932 760.7661 78.68932 0.000000       0.000000 
1 1 1 16  0  5  o 356.9166 90.70490 4.463593       2.121068  4.463593       2.121068  4.463593       2.121068  356.9166 128.2761 356.9166 128.2761 0.000000       0.000000 
1 1 1 16  0  6  o 155.8008 71.09784 0.1270448      1.845065  0.1270448      1.845065  0.1270448      1.845065  155.8008 100.5475 155.8008 100.5475 0.000000       0.000000 
1 1 1 16  0  7  o 868.0923 48.67621 19.94857       2.981628  19.94857       2.981628  19.94857       2.981628  868.0923 68.83856 868.0923 68.83856 0.000000       0.000000 
1 1 1 16  0  8  o 874.0803 48.53233 20.29515       2.994179  20.29515       2.994179  20.29515       2.994179  874.0803 68.63509 874.0803 68.63509 0.000000       0.000000 
1 1 1 16  0  9  o 204.9530 86.05481 1.519576       2.199379  1.519576       2.199379  1.519576       2.199379  204.9530 121.6999 204.9530 121.6999 0.000000       0.000000 
1 1 1 16  0  10 o 356.7243 89.24529 4.620396       2.072900  4.620396       2.072900  4.620396       2.072900  356.7243 126.2119 356.7243 126.2119 0.000000       0.000000 
1 1 1 16  0  11 o 591.3533 82.70017 10.85098       3.112473  10.85098       3.112473  10.85098       3.112473  591.3533 116.9557 591.3533 116.9557 0.000000       0.000000 
1 1 1 16  0  12 o 139.1848 67.42166 -0.8342961     2.142435  -0.8342961     2.142435  -0.8342961     2.142435  139.1848 95.34863 139.1848 95.34863 0.000000       0.000000 
1 1 1 16  0  13 o 504.6618 110.5201 10.10948       3.496442  10.10948       3.496442  10.10948       3.496442  504.6618 156.2990 504.6618 156.2990 0.000000       0.000000 
1 1 1 16  0  14 o 806.0042 51.32209 18.50943       2.906465  18.50943       2.906465  18.50943       2.906465  806.0042 72.58040 806.0042 72.58040 0.000000       0.000000 
1 1 1 16  0  15 o 235.3118 92.34466 3.094737       2.292355  3.094737       2.292355  3.094737       2.292355  235.3118 130.5951 235.3118 130.5951 0.000000       0.000000 
1 1 1 16  0  16 o 474.8771 98.15095 9.365490       2.898144  9.365490       2.898144  9.365490       2.898144  474.8771 138.8064 474.8771 138.8064 0.000000       0.000000 
1 1 1 16  1  0  o 1203.057 61.47673 38.28857       3.691102  37.79910       5.539912  38.67931       4.949805  1192.827 92.45879 1213.286 81.04893 -20.45898      122.9535 
1 1 1 16  1  1  o 1208.602 49.76531 37.31549       2.914727  35.39541       3.613491  40.89143       4.931311  1169.125 61.26268 1248.078 78.44253 -78.95325      99.53062 
1 1 1 16  1  2  o 864.7102 52.32480 19.07216       2.199730  17.40742       2.744442  22.06322       3.678690  816.0677 67.01884 913.3527 80.37422 -97.28491      104.6496 
1 1 1 16  1  3  o 679.7712 58.63557 12.45794       1.949699  10.54605       2.773149  14.32672       2.741701  623.7430 90.45715 735.7993 74.63261 -112.0563      117.2711 
1 1 1 16  1  4  o 805.9606 52.78957 17.23837       2.129076  17.14796       3.035029  17.32595       2.987469  803.4463 75.49989 808.4749 73.80190 -5.028564      105.5791 
1 1 1 16  1  5  o 805.4111 46.31886 17.10513       1.871888  16.69797       2.645863  17.51315       2.648639  795.3633 66.31245 815.4589 64.68697 -20.09552      92.63771 
1 1 1 16  1  6  o 1092.459 43.13573 31.37000       2.375483  30.54638       3.364511  32.18867       3.354393  1077.501 61.93715 1107.416 60.05459 -29.91479      86.27146 
1 1 1 16  1  7  o 456.1986 69.75720 6.053840       1.564171  6.786987       2.146548  5.223803       2.283988  491.0548 89.64630 421.3424 106.9009 69.71246       139.5144 
1 1 1 16  1  8  o 1090.852 45.09920 31.72123       2.472386  34.74572       3.528995  28.80568       3.464852  1144.290 61.13731 1037.414 66.31726 106.8759       90.19839 
1 1 1 16  1  9  o 893.5441 46.76394 21.42715       2.091041  18.91027       2.861770  24.31007       3.062813  835.5051 68.25141 951.5831 63.94694 -116.0779      93.52789 
1 1 1 16  1  10 o 210.1216 64.95957 0.8988258E-01  1.311460  0.2001843      1.868423  -0.1723375E-01 1.841246  213.6991 92.83768 206.5443 90.88538 7.154800       129.9191 
1 1 1 16  1  11 o 334.8592 77.77802 3.386877       1.481808  2.859326       1.857725  4.309598       2.456882  306.6770 102.1655 363.0413 117.3026 -56.36426      155.5560 
1 1 1 16  1  12 o 562.1243 93.64022 9.653647       2.571134  0.000000       0.000000  9.653647       2.571134  ?        ?        562.1243 93.64022 ?              ?        
1 1 1 16  1  13 o 644.4193 85.98026 15.89225       2.441445  17.94654       2.959560  11.51648       4.319402  781.5062 75.75277 507.3324 154.3760 274.1738       171.9605 
1 1 1 16  1  14 o 358.1945 81.11012 4.982093       1.778805  6.294385       2.379330  3.319227       2.678356  417.9344 110.6937 298.4544 118.5846 119.4800       162.2202 
1 1 1 16  1  15 o 257.0013 73.60623 1.263027       1.519702  -0.4108145     1.874661  4.471465       2.595449  184.4176 85.27686 329.5851 119.9974 -145.1674      147.2125 
1 1 1 16  1  16 o 286.5604 77.55178 3.112351       1.668137  1.383020       2.252198  5.213998       2.482832  228.5364 100.5410 344.5845 118.1043 -116.0481      155.1036 
1 1 1 16  2  0  o 455.7510 108.4386 5.788284       2.465754  5.788284       2.465754  0.000000       0.000000  455.7510 108.4386 ?        ?        ?              ?        
1 1 1 16  2  1  o 742.6840 69.20893 14.44731       2.572287  14.44731       2.572287  0.000000       0.000000  742.6840 69.20893 ?        ?        ?              ?        
1 1 1 16  2  2  o 1020.573 62.43788 27.78464       3.192322  28.50450       4.486364  27.04634       4.543425  1035.142 86.39691 1006.005 90.16390 29.13745       124.8758 
1 1 1 16  2  3  o 254.2518 81.62391 -1.818729      2.281488  -3.318007      2.987521  0.2790763      3.533884  212.5077 101.1529 295.9960 128.1325 -83.48830      163.2478 
1 1 1 16  2  4  o 401.0564 89.47193 3.578931       2.060314  1.557315       2.499600  7.863054       3.638749  289.2002 114.6691 512.9126 137.3751 -223.7124      178.9439 
1 1 1 16  2  5  o 1174.475 43.08694 36.10077       2.553124  35.87239       3.601051  36.33159       3.620351  1170.709 60.96784 1178.240 60.90041 -7.530640      86.17388 
1 1 1 16  2  6  o 649.4833 54.14964 11.46347       1.724653  9.707735       2.435456  13.22954       2.442616  595.1898 83.08995 703.7769 69.46075 -108.5871      108.2993 
1 1 1 16  2  7  o 260.4557 69.95554 0.7517201      1.474445  3.161192       2.112743  -1.535996      2.058670  332.5047 108.8658 188.4067 87.88262 144.0980       139.9111 
1 1 1 16  2  8  o 502.4992 69.20985 7.347716       1.694763  6.622437       2.423913  8.041378       2.370492  473.6067 103.9441 531.3917 91.40916 -57.78500      138.4197 
1 1 1 16  2  9  o 913.9312 45.60871 22.55090       2.086915  20.78954       2.999622  24.20326       2.905323  875.9393 68.17792 951.9229 60.60025 -75.98358      91.21742 
1 1 1 16  2  10 o 994.4742 63.32684 28.49577       3.124008  25.31567       4.486766  31.48816       4.352331  930.6629 96.63530 1058.286 81.87046 -127.6226      126.6537 
1 1 1 16  2  11 f 441.8268 74.27464 6.687221       1.979944  1.429928       3.001539  10.73699       2.634378  278.2939 119.2513 605.3596 88.57772 -327.0657      148.5493 
1 1 1 16  2  12 o 274.0570 103.7645 2.204668       1.976319  0.000000       0.000000  2.204668       1.976319  ?        ?        274.0570 103.7645 ?              ?        
1 1 1 16  2  13 o 350.1324 80.54186 4.199591       1.745684  6.652503       2.633474  2.276889       2.331547  427.7807 117.8388 272.4841 109.8271 155.2966       161.0837 
1 1 1 16  2  14 f 289.3090 79.83161 3.045690       1.877088  4.169844       2.215287  0.1838335      3.534606  334.7332 111.5677 243.8848 114.2147 90.84837       159.6632 
1 1 1 16  2  15 o 291.5523 77.99349 3.201537       1.565763  3.281052       1.957271  3.060204       2.609443  298.8733 104.7244 284.2313 115.6059 14.64206       155.9870 
1 1 1 16  2  16 o 290.8815 74.19344 2.953609       1.501788  1.137114       1.951322  5.592843       2.352073  216.6654 94.49153 365.0977 114.4116 -148.4322      148.3869 
1 1 1 16  3  0  o 530.7279 64.58096 7.581263       1.652593  7.992440       2.569553  7.291210       2.158149  540.8807 97.41972 520.5751 84.80686 20.30560       129.1619 
1 1 1 16  3  1  o 331.5261 75.05443 2.927543       1.433083  3.371700       2.036597  2.491928       2.016917  350.8546 105.8348 312.1976 106.4503 38.65707       150.1089 
1 1 1 16  3  2  o 1002.311 43.30324 26.06454       2.184658  27.43350       3.173911  24.83199       3.011621  1027.329 61.30346 977.2931 61.17653 50.03625       86.60648 
1 1 1 16  3  3  o 615.8815 75.79634 10.11136       2.313478  10.11136       2.313478  0.000000       0.000000  615.8815 75.79634 ?        ?        ?              ?        
1 1 1 16  3  4  o 624.2258 89.86299 10.64816       2.758073  10.64816       2.758073  0.000000       0.000000  624.2258 89.86299 ?        ?        ?              ?        
1 1 1 16  3  5  o 459.1853 89.92139 6.303783       2.490613  10.11285       3.400450  1.895453       3.658173  589.5050 118.0538 328.8657 135.6714 260.6393       179.8428 
1 1 1 16  3  6  o 348.1413 75.39207 3.393326       1.475747  4.451788       2.187928  2.509856       1.998901  390.5952 107.3321 305.6873 105.9041 84.90790       150.7841 
1 1 1 16  3  7  o 701.0262 54.06606 13.33053       1.871714  13.77478       2.851208  12.99409       2.481202  708.4302 80.94992 693.6223 71.69145 14.80792       108.1321 
1 1 1 16  3  8  o 363.4039 85.23379 3.988169       1.760315  3.679682       3.247802  4.116488       2.094672  355.7831 133.3847 371.0248 106.1495 -15.24170      170.4676 
1 1 1 16  3  9  o 673.1129 83.81964 14.32963       2.493190  15.04197       3.004224  12.75351       4.468724  732.6377 82.42660 613.5881 145.9753 119.0496       167.6393 
1 1 1 16  3  10 o 759.9082 67.01923 16.65522       2.271966  16.39125       2.703817  17.28933       4.190654  772.2328 69.91663 747.5836 114.3590 24.64929       134.0385 
1 1 1 16  3  11 o 347.0259 92.58257 3.940354       2.308761  2.344135       3.358811  5.370049       3.178784  304.7963 128.1812 389.2555 133.6252 -84.45917      185.1651 
1 1 1 16  3  12 o 368.4517 77.27993 4.233210       1.574531  6.648078       2.538038  2.722337       2.007546  443.7316 112.7485 293.1717 105.7190 150.5598       154.5599 
1 1 1 16  3  13 o 253.6202 75.08409 1.325999       1.626400  3.098347       2.571152  0.1438038      2.099897  297.5017 116.8244 209.7386 94.35332 87.76306       150.1682 
1 1 1 16  3  14 o 379.9892 91.08742 6.339425       2.128495  6.570716       2.443011  5.610635       4.336575  424.1225 112.0853 335.8559 143.6125 88.26660       182.1748 
1 1 1 16  3  15 f 375.8991 77.03787 4.877013       1.679473  2.434910       2.143160  8.763192       2.703548  264.8527 105.8081 486.9455 111.9999 -222.0928      154.0757 
1 1 1 16  3  16 o 354.1315 73.62518 4.428735       1.594925  1.735860       2.035712  8.709140       2.566555  233.0857 98.99883 475.1773 109.0041 -242.0917      147.2504 
1 1 1 16  4  0  o 1060.438 54.30523 29.36317       2.715562  30.20493       4.758537  28.95665       3.306908  1064.835 89.08738 1056.041 62.12625 8.794067       108.6105 
1 1 1 16  4  1  o 288.6488 81.56939 1.364642       1.701010  1.713011       3.023045  1.203245       2.057656  313.4287 125.5050 263.8689 104.2246 49.55981       163.1388 
1 1 1 16  4  2  o 559.3710 70.69598 8.670703       1.832022  8.530943       3.124963  8.743892       2.261401  547.9925 116.2409 570.7496 80.49676 -22.75708      141.3920 
1 1 1 16  4  3  o 400.3997 89.96539 4.111768       1.955389  6.278741       3.477567  3.109881       2.364602  460.4473 138.1634 340.3521 115.2647 120.0952       179.9308 
1 1 1 16  4  4  o 358.2855 80.73798 3.513297       1.686875  4.714822       2.462365  2.450738       2.315595  403.8441 114.9343 312.7269 113.4222 91.11725       161.4760 
1 1 1 16  4  5  o 1025.896 64.24206 27.74559       3.319795  27.74559       3.319795  0.000000       0.000000  1025.896 64.24206 ?        ?        ?              ?        
1 1 1 16  4  6  o 945.4744 64.15070 23.68818       3.052512  23.68818       3.052512  0.000000       0.000000  945.4744 64.15070 ?        ?        ?              ?        
1 1 1 16  4  7  o 352.1725 90.85001 3.144042       1.899272  4.863800       3.731500  2.542738       2.206464  396.9970 143.9827 307.3479 110.8326 89.64908       181.7000 
1 1 1 16  4  8  o 389.6254 87.91254 2.275162       1.984811  10.24185       4.100616  -0.1623672     2.268219  553.8680 144.6601 225.3827 99.93956 328.4853       175.8251 
1 1 1 16  4  9  o 530.9656 91.61936 9.060917       2.333399  8.846463       2.834969  9.511348       4.108608  540.8730 107.3189 521.0582 148.5230 19.81482       183.2387 
1 1 1 16  4  10 o 418.8455 86.39487 5.737131       1.892222  5.814563       3.259965  5.697788       2.323737  410.3800 135.2725 427.3109 107.5064 -16.93091      172.7897 
1 1 1 16  4  11 o 391.8475 86.86340 5.135213       1.814317  5.535033       3.427431  4.979563       2.138509  388.5345 138.3472 395.1606 105.0764 -6.626129      173.7268 
1 1 1 16  4  12 o 258.2308 71.76438 1.600519       1.505527  -0.2103310     2.261269  3.042347       2.017752  212.0047 96.38579 304.4569 106.3498 -92.45221      143.5288 
1 1 1 16  4  13 o 217.3639 68.46340 -0.8443965     1.843413  -6.783069      3.160115  2.218769       2.269569  166.9661 83.90839 267.7617 108.2050 -100.7955      136.9268 
1 1 1 16  4  14 o 204.3898 65.36515 0.1571280      1.448773  0.5835259      1.860186  -0.5002961     2.309786  208.4404 91.54412 200.3391 93.32784 8.101303       130.7303 
1 1 1 16  4  15 o 235.1195 74.92939 -1.213724      1.771413  -3.668471      2.091496  5.016001       3.331871  146.3168 72.71824 323.9222 131.0332 -177.6054      149.8588 
1 1 1 16  5  0  o 885.0048 54.25995 20.39050       2.347065  22.05254       3.818937  19.38167       2.975300  910.2086 83.81558 859.8010 68.93125 50.40765       108.5199 
1 1 1 16  5  1  o 381.7123 81.36609 2.984457       1.736942  7.282666       3.162072  1.127101       2.078622  501.9567 124.9256 261.4678 104.2849 240.4889       162.7322 
1 1 1 16  5  2  o 574.4283 77.59673 8.826772       2.013569  10.55456       3.749070  8.126320       2.387080  603.5096 126.7371 545.3470 89.56960 58.16254       155.1935 
1 1 1 16  5  3  o 313.3053 87.86794 1.971913       2.050592  1.311375       3.391901  2.352390       2.574299  310.6052 129.5921 316.0054 118.6970 -5.400177      175.7359 
1 1 1 16  5  4  o 229.2411 72.50673 -0.5148301     1.696889  -3.880996      3.420696  0.5838934      1.954299  222.3538 106.4912 236.1284 98.43034 -13.77464      145.0135 
1 1 1 16  5  5  o 391.4381 74.55133 4.376163       1.573210  6.148667       2.283438  2.774568       2.170561  463.4099 100.2434 319.4663 110.3760 143.9436       149.1027 
1 1 1 16  5  6  o 547.7353 77.64377 9.148433       2.017392  10.31383       2.579654  7.313435       3.237000  609.6833 85.96011 485.7873 129.3255 123.8960       155.2875 
1 1 1 16  5  7  o 651.6955 86.00181 11.86614       2.768184  11.86614       2.768184  0.000000       0.000000  651.6955 86.00181 ?        ?        ?              ?        
1 1 1 16  5  8  f 300.0418 81.77296 1.922973       2.045546  3.978881       2.476415  -2.492222      3.629080  360.1998 117.8602 239.8839 113.3854 120.3159       163.5459 
1 1 1 16  5  9  o 306.6267 88.35294 1.635493       2.101758  0.2301799      2.581973  4.395505       3.618434  243.9399 107.4726 369.3134 140.2662 -125.3735      176.7059 
1 1 1 16  5  10 o 307.4313 79.73933 2.768525       1.785407  0.2932618      3.059630  4.046592       2.198543  257.7951 115.0826 357.0675 110.4058 -99.27240      159.4787 
1 1 1 16  5  11 o 236.2665 65.50095 0.4670802      1.535428  -6.806067      3.093081  2.845396       1.768743  169.9082 85.05508 302.6247 99.63498 -132.7165      131.0019 
1 1 1 16  5  12 o 427.7714 72.10177 5.626771       1.668180  10.18633       2.649223  2.631067       2.147367  569.2000 95.30183 286.3427 108.2230 282.8572       144.2035 
1 1 1 16  5  13 o 342.0989 71.52308 3.223511       1.684500  8.119421       2.590462  -0.3635077     2.217315  482.6009 108.6432 201.5970 93.05294 281.0038       143.0462 
1 1 1 16  5  14 o 359.0838 79.29513 5.062181       1.984805  1.160288       2.980651  8.170745       2.660439  246.1588 111.4173 472.0089 112.8586 -225.8501      158.5903 
1 1 1 16  5  15 f 440.8137 95.83890 8.816164       2.232426  8.270425       2.550485  10.60404       4.616357  472.1303 108.9213 409.4971 157.7229 62.63324       191.6778 
1 1 1 16  6  0  o 450.4444 72.89663 6.498130       1.740680  2.182160       2.877201  8.989835       2.186146  320.7535 124.2442 580.1353 76.28264 -259.3817      145.7933 
1 1 1 16  6  1  o 245.1376 72.01292 0.6229510      1.474655  0.8356469      2.049680  0.3947192      2.123218  250.0486 102.1660 240.2267 101.5163 9.821854       144.0258 
1 1 1 16  6  2  o 443.0308 81.69233 5.700285       1.934678  3.561687       2.749993  7.796049       2.722314  361.0801 124.2673 524.9814 106.0762 -163.9013      163.3847 
1 1 1 16  6  3  o 968.1624 59.15563 25.79198       2.736305  23.21555       4.438051  27.37202       3.475505  918.0373 96.95464 1018.288 67.80377 -100.2502      118.3113 
1 1 1 16  6  4  o 904.3878 57.60941 21.60747       2.498937  23.98012       4.264198  20.36642       3.083999  934.1653 91.33168 874.6102 70.24172 59.55511       115.2188 
1 1 1 16  6  5  o 259.9960 76.48221 0.9106857      1.667644  -0.3108084     2.831563  1.559379       2.063479  249.8337 111.1789 270.1583 105.0589 -20.32460      152.9644 
1 1 1 16  6  6  o 245.5022 72.11913 0.5204490      1.494601  1.848524       2.312379  -0.4324737     1.958739  285.2887 111.1393 205.7156 91.93877 79.57306       144.2383 
1 1 1 16  6  7  o 227.7489 98.21970 0.2950485      2.060858  0.2950485      2.060858  0.000000       0.000000  227.7489 98.21970 ?        ?        ?              ?        
1 1 1 16  6  8  f 445.4163 106.6878 6.033592       2.374134  6.033592       2.374134  0.000000       0.000000  445.4163 106.6878 ?        ?        ?              ?        
1 1 1 16  6  9  o 674.9575 87.15958 15.21203       2.544247  12.60109       4.681350  16.30654       3.030963  588.5986 154.9679 761.3163 79.82549 -172.7177      174.3192 
1 1 1 16  6  10 o 500.6877 74.23835 7.697492       1.810648  8.770635       2.762255  6.888999       2.397580  530.3163 106.5808 471.0591 103.3724 59.25726       148.4767 
1 1 1 16  6  11 f 213.9358 66.82321 0.1196132      1.449690  0.8539420      1.957688  -0.7719634     2.157136  229.2680 97.21449 198.6037 91.70992 30.66431       133.6464 
1 1 1 16  6  12 o 456.3428 79.48127 7.384555       1.847243  8.435902       2.516037  6.155167       2.720749  507.3451 101.5001 405.3405 122.3390 102.0046       158.9625 
1 1 1 16  6  13 o 295.4874 88.10436 2.585313       2.034504  5.874093       3.894238  1.350679       2.386021  348.7675 141.4584 242.2073 105.0668 106.5602       176.2087 
1 1 1 16  6  14 o 589.6213 77.72325 12.50278       2.171986  11.96257       3.448043  12.85814       2.796568  549.9926 126.4724 629.2499 90.37896 -79.25732      155.4465 
1 1 1 16  6  15 o 329.9296 80.35090 4.531004       1.687630  5.831104       2.408295  3.276575       2.365617  376.3773 115.4164 283.4820 111.8218 92.89532       160.7018 
1 1 1 16  7  0  o 1001.656 44.33420 26.22930       2.233168  25.95529       3.064307  26.53967       3.261235  996.9160 61.00774 1006.397 64.34393 -9.481140      88.66840 
1 1 1 16  7  1  o 805.5537 49.71598 17.39716       1.976275  15.05594       2.896572  19.43620       2.703187  750.1577 77.38020 860.9498 62.44213 -110.7921      99.43196 
1 1 1 16  7  2  o 727.3666 54.72285 14.21459       1.980428  14.38056       2.733263  14.03116       2.873493  733.2932 74.66578 721.4400 80.02113 11.85321       109.4457 
1 1 1 16  7  3  o 556.8136 71.68042 9.511145       1.907255  4.009508       2.744412  14.65033       2.652470  373.1866 124.1692 740.4406 71.65432 -367.2541      143.3608 
1 1 1 16  7  4  o 252.9742 69.78071 0.4161218      1.639214  -5.135174      2.978709  2.827569       1.963223  187.5047 91.96440 318.4437 104.9759 -130.9390      139.5614 
1 1 1 16  7  5  o 162.1522 55.46195 -2.882860      1.401889  -3.964980      2.133708  -2.060928      1.859582  156.9041 77.13302 167.4003 79.71581 -10.49612      110.9239 
1 1 1 16  7  6  o 444.5935 86.52186 6.095161       2.082665  8.221088       3.011775  4.147006       2.883103  519.5563 117.2805 369.6308 127.2376 149.9255       173.0437 
1 1 1 16  7  7  o 346.6437 84.96214 3.495934       1.834532  2.549970       2.454363  4.693516       2.761559  307.5356 115.8240 385.7519 124.3345 -78.21631      169.9243 
1 1 1 16  7  8  o 420.9702 100.6710 6.072569       2.526766  6.622946       3.894758  5.672561       3.320355  432.3230 147.9230 409.6175 136.5920 22.70547       201.3419 
1 1 1 16  7  9  o 340.9688 91.98918 3.663507       2.163196  2.887525       3.974945  3.990026       2.578455  330.0021 139.1470 351.9355 120.3584 -21.93341      183.9784 
1 1 1 16  7  10 o 279.7311 73.41561 2.192472       1.371115  1.785243       1.793113  2.765806       2.127613  258.7701 98.63048 300.6921 108.7724 -41.92203      146.8312 
1 1 1 16  7  11 o 254.5735 62.73633 0.2355653      1.364035  4.419416       2.007306  -3.353911      1.859264  365.9039 103.6454 143.2432 70.71793 222.6608       125.4727 
1 1 1 16  7  12 o 281.2416 72.85741 1.551393       1.530610  5.368875       2.500812  -0.7351846     1.935466  378.3549 117.8772 184.1283 85.66087 194.2266       145.7148 
1 1 1 16  7  13 o 161.6886 56.30042 -3.206232      1.618216  -3.109717      2.403036  -3.286313      2.188926  167.1890 82.12137 156.1882 77.03915 11.00079       112.6008 
1 1 1 16  7  14 o 414.4662 86.07110 6.656476       1.829901  5.846783       2.212316  8.410445       3.256101  397.0999 107.4376 431.8326 134.4994 -34.73270      172.1422 
1 1 1 16  7  15 o 441.1082 133.8841 9.302394       3.251804  0.000000       0.000000  9.302394       3.251804  ?        ?        441.1082 133.8841 ?              ?        
1 1 1 16  8  0  o 687.5791 56.63688 13.00966       1.866686  16.00062       2.601944  9.837624       2.679550  777.9861 66.70573 597.1721 91.54938 180.8140       113.2738 
1 1 1 16  8  1  o 512.2411 71.13618 7.462621       1.775546  8.095228       2.464176  6.779536       2.560601  538.8439 93.73230 485.6383 107.0312 53.20566       142.2724 
1 1 1 16  8  2  o 435.7520 80.21407 5.604669       1.779860  5.312690       2.718752  5.823661       2.354551  422.6159 120.9410 448.8880 105.4061 -26.27203      160.4281 
1 1 1 16  8  3  o 318.0100 81.12074 2.676661       1.667872  2.647321       2.258829  2.711835       2.473171  314.9981 112.2965 321.0219 117.0974 -6.023743      162.2415 
1 1 1 16  8  4  o 311.9614 70.78064 2.419929       1.567045  -0.9334601     2.443393  4.762963       2.042399  219.4937 99.94548 404.4292 100.2522 -184.9356      141.5613 
1 1 1 16  8  5  o 227.7017 96.41298 0.4843874      1.921164  0.4843874      1.921164  0.000000       0.000000  227.7017 96.41298 ?        ?        ?              ?        
1 1 1 16  8  6  o 447.9734 91.61710 6.424450       2.158812  6.576486       3.512469  6.332154       2.736734  444.8813 139.8793 451.0656 118.3577 -6.184326      183.2342 
1 1 1 16  8  7  o 755.9065 77.19038 15.86219       2.912583  0.000000       0.000000  15.86219       2.912583  ?        ?        755.9065 77.19038 ?              ?        
1 1 1 16  8  8  f 361.0430 86.43774 4.427276       2.189912  -0.2599520     4.247422  6.124430       2.555807  283.0698 129.9749 439.0163 113.9845 -155.9465      172.8755 
1 1 1 16  8  9  o 415.7914 91.53897 6.060704       2.078916  6.248684       2.453491  5.582164       3.914602  442.3585 110.0134 389.2244 146.3372 53.13409       183.0779 
1 1 1 16  8  10 o 350.0725 75.74279 3.445261       1.512839  1.785893       1.878103  6.511463       2.552985  258.3519 100.2951 441.7932 113.5288 -183.4413      151.4856 
1 1 1 16  8  11 o 245.0445 68.88680 1.185972       1.367143  2.963428       2.040631  -0.2615551     1.841528  298.0654 106.6844 192.0236 87.17799 106.0418       137.7736 
1 1 1 16  8  12 o 252.5795 74.40272 1.518068       1.548535  3.126315       2.540051  0.5667590      1.953561  292.9525 115.7715 212.2064 93.48808 80.74617       148.8054 
1 1 1 16  8  13 o 216.7194 69.21729 0.5022100      1.587907  0.6170670      2.522596  0.4268317      2.043581  225.0708 102.1243 208.3679 93.45995 16.70287       138.4346 
1 1 1 16  8  14 o 204.3809 66.45295 0.1339933      1.575991  0.2061227E-02  2.324882  0.2461636      2.143703  204.6005 94.73512 204.1613 93.21606 0.4391632      132.9059 
1 1 1 16  8  15 o 246.7625 78.18129 2.096024       2.104583  3.627396       2.857790  0.2813086      3.110960  276.1423 117.2919 217.3827 103.4014 58.75961       156.3626 
1 1 1 16  9  0  o 869.2603 48.74369 20.12245       2.099324  24.14672       3.028608  16.40064       2.912575  956.9935 62.85972 781.5270 74.51473 175.4664       97.48738 
1 1 1 16  9  1  o 259.4527 76.03233 0.8746368      1.638263  1.359810       2.394081  0.4473803      2.246647  275.2509 111.1679 243.6545 103.7563 31.59641       152.0647 
1 1 1 16  9  2  o 306.4232 87.57237 1.973256       2.031876  2.658341       2.335943  -0.1563743     4.118531  316.0061 114.0254 296.8404 132.9432 19.16571       175.1447 
1 1 1 16  9  3  o 964.7288 49.99738 25.19114       2.400828  22.78819       3.516729  27.28862       3.285610  916.4176 76.49804 1013.040 64.39720 -96.62244      99.99475 
1 1 1 16  9  4  o 812.9012 56.51403 17.67836       2.259461  14.37286       2.948857  22.37816       3.516214  720.7905 82.28389 905.0120 77.49003 -184.2216      113.0281 
1 1 1 16  9  5  o 494.5367 73.64548 7.033127       1.778543  5.318253       2.319655  9.479267       2.770435  418.9655 108.4995 570.1079 99.61162 -151.1424      147.2910 
1 1 1 16  9  6  o 312.6464 69.50807 2.618389       1.570714  -1.236837      2.528800  5.040018       2.004210  213.7973 98.92613 411.4956 97.66837 -197.6983      139.0161 
1 1 1 16  9  7  o 265.4271 104.9897 1.640838       2.090747  0.000000       0.000000  1.640838       2.090747  ?        ?        265.4271 104.9897 ?              ?        
1 1 1 16  9  8  o 332.7816 79.93777 3.316157       1.916712  -0.1726881     3.034608  5.631808       2.472284  247.8585 112.2827 417.7048 113.8103 -169.8463      159.8755 
1 1 1 16  9  9  o 321.8796 89.36949 3.288144       2.081385  3.584451       2.473168  2.568768       3.853542  330.7603 117.5475 312.9988 134.6485 17.76157       178.7390 
1 1 1 16  9  10 o 669.6788 80.85778 14.75324       2.186231  14.73511       2.501049  14.81197       4.501197  720.7937 69.39493 618.5640 146.0694 102.2297       161.7156 
1 1 1 16  9  11 o 325.9389 70.26230 3.409931       1.396725  5.650311       2.069836  1.536846       1.892578  410.6529 100.3987 241.2249 98.32225 169.4279       140.5246 
1 1 1 16  9  12 o 207.2929 65.64091 0.3769888      1.420875  -0.8085712     2.493915  0.9467738      1.728922  200.5490 94.54927 214.0368 91.07883 -13.48788      131.2818 
1 1 1 16  9  13 o 346.9943 82.24171 4.768474       1.754067  6.663929       2.644645  3.279772       2.343768  404.2134 120.3053 289.7751 112.1669 114.4383       164.4834 
1 1 1 16  9  14 o 275.1201 78.14386 2.497718       1.715062  0.6895510      2.193942  5.338948       2.750167  212.0911 95.83028 338.1492 123.4602 -126.0581      156.2877 
1 1 1 16  10 0  o 856.8533 49.11575 19.68217       2.108788  18.66963       3.001266  20.66949       2.963644  833.3337 71.84004 880.3728 66.99580 -47.03912      98.23151 
1 1 1 16  10 1  o 265.9395 75.22078 1.357237       1.532052  1.533497       2.238827  1.202007       2.101030  273.5677 108.5064 258.3112 104.2067 15.25656       150.4416 
1 1 1 16  10 2  o 278.5425 82.27769 0.9814994      1.901810  0.1932769      2.423840  2.244014       3.067593  242.1473 105.4667 314.9378 126.3141 -72.79048      164.5554 
1 1 1 16  10 3  o 346.4501 89.96224 3.419451       2.049233  3.136934       2.692688  3.808277       3.158939  333.4450 122.0992 359.4551 132.1537 -26.01007      179.9245 
1 1 1 16  10 4  o 793.4445 60.42833 18.02320       2.270577  19.35331       2.902966  15.92722       3.644114  845.8054 68.37835 741.0836 99.65305 104.7218       120.8567 
1 1 1 16  10 5  o 725.6738 70.14477 14.81084       2.260542  14.04198       2.660955  16.80459       4.284967  713.1480 74.81570 738.1995 118.6750 -25.05151      140.2895 
1 1 1 16  10 6  o 322.0162 80.49377 3.198586       1.700229  1.400039       3.131037  3.950719       2.024765  285.7763 122.1093 358.2560 104.9110 -72.47964      160.9875 
1 1 1 16  10 7  o 433.6470 74.25038 5.834540       1.600796  5.982332       2.448826  5.724259       2.115345  433.7282 111.0447 433.5658 98.59798 0.1623840      148.5008 
1 1 1 16  10 8  o 313.2604 89.61289 2.474059       2.088434  4.575641       3.675154  1.471765       2.538048  360.0978 140.1593 266.4229 111.7016 93.67493       179.2258 
1 1 1 16  10 9  o 479.9399 86.44846 8.724172       2.142225  6.251360       3.869568  9.816966       2.572387  392.5494 145.9025 567.3304 92.76746 -174.7810      172.8969 
1 1 1 16  10 10 o 241.9380 75.05600 1.091416       1.599427  1.498893       1.766318  -0.7643331     3.769440  239.7717 95.96124 244.1042 115.4342 -4.332535      150.1120 
1 1 1 16  10 11 o 348.2324 72.47544 4.338318       1.450559  2.823290       2.087605  5.752620       2.017015  283.6504 106.8218 412.8143 97.97891 -129.1640      144.9509 
1 1 1 16  10 12 o 296.3431 77.64278 3.278228       1.625283  4.671734       2.314822  1.923350       2.282514  342.8374 114.0360 249.8488 105.4011 92.98866       155.2856 
1 1 1 16  10 13 o 287.9146 85.35315 3.069707       1.923476  5.646400       3.576497  2.021137       2.281525  327.4603 134.5085 248.3687 105.1100 79.09158       170.7063 
1 1 1 16  10 14 o 273.4268 113.2018 3.306721       2.559736  3.306721       2.559736  0.000000       0.000000  273.4268 113.2018 ?        ?        ?              ?        
1 1 1 16  11 0  o 358.6110 87.97768 3.707755       1.865917  3.460083       2.271622  4.221457       3.271543  343.1152 112.9114 374.1068 134.9493 -30.99152      175.9554 
1 1 1 16  11 1  f 637.0247 69.93373 11.88713       2.075890  12.47993       2.623250  10.89395       3.395459  673.0102 78.46291 601.0392 115.7863 71.97095       139.8675 
1 1 1 16  11 2  o 559.1846 76.56074 9.228501       2.072099  8.566491       2.729603  10.12881       3.183196  538.5354 103.8799 579.8339 112.4951 -41.29846      153.1215 
1 1 1 16  11 3  o 542.3639 85.43295 9.011803       2.192829  8.600973       2.696836  9.813397       3.767050  538.6896 102.6329 546.0382 136.6076 -7.348572      170.8659 
1 1 1 16  11 4  o 304.7867 79.49375 2.557515       1.830468  -1.516245      3.618773  3.958205       2.121948  250.4210 116.7114 359.1525 107.9605 -108.7315      158.9875 
1 1 1 16  11 5  o 446.4908 86.87227 6.650373       1.959721  5.985399       3.631305  6.923632       2.327808  412.7596 142.7556 480.2220 99.03540 -67.46237      173.7445 
1 1 1 16  11 6  o 650.2928 75.43745 14.00390       2.065111  10.20830       3.734364  15.67598       2.478590  543.7860 135.9968 756.7996 65.33082 -213.0136      150.8749 
1 1 1 16  11 7  f 377.4988 69.25992 4.612782       1.633862  0.7699602      2.463268  7.631585       2.183252  246.8837 106.9245 508.1140 88.06190 -261.2303      138.5198 
1 1 1 16  11 8  o 423.3317 85.32721 6.238709       1.966770  4.810733       2.768986  7.692652       2.794049  368.3431 124.7320 478.3203 116.4683 -109.9772      170.6544 
1 1 1 16  11 9  o 434.4053 100.3565 7.611722       2.843803  3.644036       3.883145  12.20116       4.176329  320.1586 136.3727 548.6520 147.2690 -228.4934      200.7129 
1 1 1 16  11 10 o 232.8647 72.23595 0.7502115      1.656372  2.006772       2.447757  -0.3112155     2.249685  261.9197 109.7491 203.8096 93.95348 58.11006       144.4719 
1 1 1 16  11 11 o 259.7933 80.25356 1.771752       1.929392  0.7283691      2.418372  3.598707       3.200112  224.6437 101.1386 294.9430 124.6335 -70.29929      160.5071 
1 1 1 16  11 12 o 250.5952 78.78736 1.088221       1.876506  -0.4742348     2.263030  4.526813       3.357195  194.2784 91.11269 306.9120 128.5623 -112.6337      157.5747 
1 1 1 16  11 13 o 293.3389 116.7946 3.845897       2.603086  3.845897       2.603086  0.000000       0.000000  293.3389 116.7946 ?        ?        ?              ?        
1 1 1 16  11 14 o 277.9660 76.61212 3.398578       1.559283  4.494419       2.357900  2.546880       2.078711  306.7381 113.9152 249.1940 102.4744 57.54417       153.2242 
1 1 1 16  12 0  o 268.7007 120.2473 0.1124571E-04  3.362514  0.1124571E-04  3.362514  0.000000       0.000000  268.7007 120.2473 ?        ?        ?              ?        
1 1 1 16  12 1  o 745.4382 83.94631 17.08056       3.023513  16.78883       4.597620  17.30287       4.013452  727.6865 129.5458 763.1898 106.7980 -35.50330      167.8926 
1 1 1 16  12 2  o 614.2091 64.42178 11.07794       1.879413  12.20833       2.478809  9.549505       2.882396  663.9728 75.05898 564.4454 104.7225 99.52747       128.8436 
1 1 1 16  12 3  o 298.0111 86.53854 1.913528       1.964261  2.832211       3.516697  1.496953       2.368094  327.1618 133.7653 268.8604 109.8295 58.30139       173.0771 
1 1 1 16  12 4  o 342.4889 90.63167 3.605797       2.042093  3.946204       3.539780  3.435992       2.500065  352.2669 137.4311 332.7108 118.1909 19.55612       181.2633 
1 1 1 16  12 5  o 465.0210 94.61720 7.535093       2.347368  7.002616       3.234028  8.127970       3.412520  447.8325 132.9802 482.2095 134.6326 -34.37701      189.2344 
1 1 1 16  12 6  o 820.3605 51.65041 18.64142       2.097518  22.79940       3.155408  15.34949       2.807633  905.5558 69.35384 735.1652 76.55785 170.3907       103.3008 
1 1 1 16  12 7  o 270.3272 80.48242 1.319693       1.781651  0.4368170      2.174073  3.125054       3.108898  226.1448 99.15165 314.5095 126.8015 -88.36470      160.9648 
1 1 1 16  12 8  o 262.9263 80.47139 1.460514       1.963299  1.466239       2.933465  1.455870       2.642346  265.9326 115.9203 259.9200 111.6471 6.012543       160.9428 
1 1 1 16  12 9  o 252.7637 79.89265 1.234675       1.990129  1.597377       2.311151  0.1943223      3.914203  250.5842 105.9046 254.9433 119.6476 -4.359055      159.7853 
1 1 1 16  12 10 o 324.8401 94.97597 4.860530       2.499887  4.278586       3.208841  5.759127       3.987399  313.3415 127.9066 336.3388 140.4338 -22.99734      189.9519 
1 1 1 16  12 11 o 240.5432 77.30711 0.8811712      1.947489  -0.3713840     2.406093  3.260543       3.316234  200.6023 94.03695 280.4841 122.7298 -79.88185      154.6142 
1 1 1 16  12 12 o 437.7808 82.80767 7.855417       1.883047  7.224723       2.720768  8.435278       2.608820  409.1645 122.0804 466.3971 111.9143 -57.23264      165.6153 
1 1 1 16  12 13 o 280.5043 73.19146 2.850278       1.772105  6.013051       2.362906  -1.215366      2.679027  372.1760 114.3562 188.8327 91.38174 183.3433       146.3829 
1 1 1 16  13 0  o 498.2086 71.10019 7.903153       1.768890  11.60582       2.451320  3.880395       2.555081  644.8159 76.58738 351.6014 119.8137 293.2144       142.2004 
1 1 1 16  13 1  o 335.9810 79.45238 3.490530       1.600378  3.892866       2.197995  3.036573       2.334742  353.2132 110.5866 318.7488 114.1110 34.46436       158.9048 
1 1 1 16  13 2  o 575.1407 75.32179 10.03608       2.101836  11.11853       3.176494  9.193067       2.803260  601.3714 108.3168 548.9100 104.6946 52.46136       150.6436 
1 1 1 16  13 3  o 301.8163 81.93906 2.543672       1.919457  -0.5152107     3.546811  3.810585       2.282601  257.8734 118.5410 345.7593 113.1551 -87.88596      163.8781 
1 1 1 16  13 4  o 412.3240 80.54787 5.498208       1.722524  5.112442       2.268350  6.023658       2.647367  398.9157 109.1502 425.7322 118.4824 -26.81650      161.0957 
1 1 1 16  13 5  o 304.9896 88.97533 2.305706       2.115180  1.436891       2.587780  4.054576       3.671490  265.5241 112.1326 344.4550 138.1763 -78.93091      177.9507 
1 1 1 16  13 6  o 269.6023 81.79417 1.444624       1.770981  2.179663       3.602591  1.210394       2.033671  296.9916 128.9673 242.2130 100.6409 54.77863       163.5883 
1 1 1 16  13 7  o 388.3566 95.14584 5.427140       2.525468  9.759274       3.819349  2.061465       3.366468  491.5406 144.1299 285.1726 124.2477 206.3680       190.2917 
1 1 1 16  13 8  o 342.6739 86.07577 4.512027       1.875148  4.571507       2.629485  4.450480       2.674814  345.2752 121.3606 340.0726 122.0973 5.202667       172.1515 
1 1 1 16  13 9  o 337.4152 88.21306 4.310079       1.987793  2.588022       2.490692  7.331271       3.299024  272.9956 112.2056 401.8347 136.1473 -128.8391      176.4261 
1 1 1 16  13 10 o 310.2799 76.65102 3.924694       1.845755  0.1897166      3.077849  6.022231       2.306525  225.5213 105.9221 395.0385 110.8242 -169.5172      153.3020 
1 1 1 16  13 11 o 238.6250 73.69344 0.4201278      1.468826  4.922945       3.033090  -0.9593592     1.678811  316.0406 125.9973 161.2094 76.46938 154.8313       147.3869 
1 1 1 16  13 12 o 198.5284 93.73055 -0.2158842     2.467028  -0.2158842     2.467028  0.000000       0.000000  198.5284 93.73055 ?        ?        ?              ?        
1 1 1 16  13 13 o 243.2722 73.96243 2.363536       1.997209  -3.301875      4.096314  4.130291       2.287524  194.2029 97.31486 292.3416 111.4073 -98.13869      147.9249 
1 1 1 16  14 0  o 688.5385 68.12027 14.89989       2.090246  10.90155       3.381327  17.37281       2.659205  581.7703 118.8195 795.3066 66.65885 -213.5363      136.2405 
1 1 1 16  14 1  o 490.2585 77.76962 8.401518       1.994016  4.190344       3.105952  11.35418       2.600757  353.6709 130.8616 626.8462 84.06956 -273.1753      155.5392 
1 1 1 16  14 2  o 318.2987 117.4151 3.172066       2.496663  0.000000       0.000000  3.172066       2.496663  ?        ?        318.2987 117.4151 ?              ?        
1 1 1 16  14 3  o 243.9466 79.27283 -0.1741767     2.020534  -0.3532977     3.928647  -0.1097572     2.356018  265.7295 123.0781 222.1638 99.94247 43.56569       158.5457 
1 1 1 16  14 4  o 450.8622 80.42931 8.368066       2.222679  10.78640       2.588902  1.587948       4.334869  602.4224 87.43945 299.3020 135.0179 303.1204       160.8586 
1 1 1 16  14 5  o 556.1512 79.15514 9.982722       2.041281  9.503175       2.490891  10.96333       3.561935  558.2595 91.28826 554.0428 129.3391 4.216675       158.3103 
1 1 1 16  14 6  o 770.9923 55.49254 17.59552       2.108850  15.99628       3.095568  18.98048       2.880735  727.8901 85.64010 814.0945 70.59364 -86.20441      110.9851 
1 1 1 16  14 7  o 462.3540 77.28441 7.377872       1.776995  8.195315       2.638435  6.699242       2.403996  486.1660 109.7915 438.5420 108.7996 47.62399       154.5688 
1 1 1 16  14 8  o 316.2770 80.79960 3.869701       1.712398  4.928679       2.408181  2.786613       2.435441  353.9994 116.2443 278.5546 112.2567 75.44479       161.5992 
1 1 1 16  14 9  o 277.5766 79.78174 2.885045       1.718388  3.931098       2.760589  2.223337       2.195624  300.6730 120.0974 254.4802 105.0577 46.19287       159.5635 
1 1 1 16  14 10 o 250.1485 69.37290 2.084703       1.453286  -0.5049956E-02 2.277153  3.520788       1.887708  199.9299 92.97977 300.3670 102.9814 -100.4372      138.7458 
1 1 1 16  14 11 o 527.7294 89.08995 12.45016       2.356103  11.39401       3.710717  13.16356       3.049747  463.9011 143.4337 591.5578 105.7112 -127.6567      178.1799 
1 1 1 16  14 12 o 341.6876 124.4331 6.190742       2.791115  6.190742       2.791115  0.000000       0.000000  341.6876 124.4331 ?        ?        ?              ?        
1 1 1 16  15 0  o 219.7440 95.32714 0.4430469      1.964352  0.000000       0.000000  0.4430469      1.964352  ?        ?        219.7440 95.32714 ?              ?        
1 1 1 16  15 1  o 270.5007 125.5189 -0.1716763     4.113634  0.000000       0.000000  -0.1716763     4.113634  ?        ?        270.5007 125.5189 ?              ?        
1 1 1 16  15 2  o 328.9453 90.57314 3.645660       2.043696  3.919272       2.270088  2.475493       4.694602  342.0165 112.8889 315.8741 141.6689 26.14236       181.1463 
1 1 1 16  15 3  o 344.3968 86.31863 3.999424       1.828107  5.160725       3.040064  3.341623       2.288008  371.9280 130.5052 316.8656 113.0134 55.06244       172.6373 
1 1 1 16  15 4  o 450.8430 76.62684 7.023567       1.882638  3.671750       2.652248  10.42747       2.672775  323.0526 120.6497 578.6335 94.50052 -255.5809      153.2537 
1 1 1 16  15 5  o 377.1692 74.23542 4.839616       1.569136  6.898961       2.265521  2.940837       2.175409  458.9885 100.2979 295.3499 109.4711 163.6387       148.4708 
1 1 1 16  15 6  o 224.4099 67.86707 0.9309333      1.407955  -0.1363982E-01 2.161888  1.626648       1.855371  206.7365 94.08839 242.0833 97.83215 -35.34673      135.7341 
1 1 1 16  15 7  o 220.4414 68.86007 0.7795808      1.513803  1.317212       2.187775  0.2857321      2.096802  233.9050 101.0359 206.9778 93.58726 26.92722       137.7201 
1 1 1 16  15 8  o 281.4208 79.31162 3.164149       1.743344  2.273519       2.568123  3.925354       2.374202  256.2491 110.0690 306.5925 114.2198 -50.34335      158.6232 
1 1 1 16  15 9  o 176.2245 59.98938 -1.432202      1.590491  -2.192417      2.283673  -0.7161019     2.216422  167.2210 81.70051 185.2281 87.86313 -18.00714      119.9788 
1 1 1 16  15 10 f 237.2481 77.03898 1.176500       1.684691  4.325413       3.789068  0.4006241      1.880823  280.5548 126.4269 193.9414 88.06967 86.61343       154.0780 
1 1 1 16  15 11 o 263.3499 74.10648 3.014051       1.512456  3.524425       2.037721  2.387976       2.256906  283.2640 105.7600 243.4358 103.8359 39.82823       148.2130 
1 1 1 16  15 12 o 160.8261 78.07259 -1.227465      1.994338  0.000000       0.000000  -1.227465      1.994338  ?        ?        160.8261 78.07259 ?              ?        
1 1 1 16  16 0  o 448.3364 73.68552 6.532664       1.722085  3.841373       2.338340  9.722276       2.545636  334.2965 114.6158 562.3763 92.63604 -228.0797      147.3710 
1 1 1 16  16 1  o 589.5693 63.84548 10.60589       1.840664  9.705229       2.545829  11.59240       2.664402  560.0908 93.04652 619.0480 87.44899 -58.95721      127.6910 
1 1 1 16  16 2  o 252.4098 80.89250 0.4816593      1.674596  2.886636       4.107616  0.2266828E-02  1.833918  306.3138 135.2227 198.5059 88.82124 107.8079       161.7850 
1 1 1 16  16 3  o 264.7839 75.01307 2.042232       1.511587  2.244370       2.347136  1.898980       1.975895  272.5869 110.0794 256.9808 101.9332 15.60605       150.0261 
1 1 1 16  16 4  o 228.2756 71.71745 0.5483342      1.680943  1.476334       2.407898  -0.3338233     2.347672  248.8505 106.7268 207.7006 95.82779 41.14996       143.4349 
1 1 1 16  16 5  o 268.6877 71.88374 2.227609       1.418917  3.687598       2.060916  0.9118673      1.956459  317.1302 107.6077 220.2451 95.33979 96.88512       143.7675 
1 1 1 16  16 6  o 236.6668 70.34548 1.595959       1.415474  1.495779       2.258424  1.660772       1.816531  237.4284 102.6059 235.9053 96.25989 1.523087       140.6910 
1 1 1 16  16 7  o 332.6849 77.90662 5.015260       1.799584  2.207053       3.259472  6.246616       2.158364  255.8492 116.0882 409.5206 103.9292 -153.6714      155.8132 
1 1 1 16  16 8  o 183.9465 61.81047 -0.8625080     1.574046  -1.831942      2.194949  0.1638621      2.258486  167.5876 81.48157 200.3054 92.96714 -32.71783      123.6209 
1 1 1 16  16 9  o 196.6436 65.84719 -0.5206156     1.863095  -5.442880      3.749063  1.093634       2.146968  179.2218 90.23663 214.0653 95.92059 -34.84343      131.6944 
1 1 1 16  16 10 o 208.1683 65.12891 0.7131500      1.477860  -1.346279      2.167728  2.501612       2.020093  169.1055 81.92683 247.2311 101.2674 -78.12556      130.2578 
1 1 1 16  16 11 o 240.3768 70.57905 2.346603       1.494128  3.913944       2.144578  0.8682480      2.082808  282.0466 107.7778 198.7071 91.15680 83.33945       141.1581 
1 1 1 16  17 0  o 457.6133 71.34118 7.009461       1.624753  5.381777       2.294198  8.647260       2.301314  389.6042 110.9605 525.6225 89.69963 -136.0183      142.6824 
1 1 1 16  17 1  o 305.4064 76.75515 3.232851       1.479452  3.761664       2.263471  2.838424       1.954821  321.6588 112.6236 289.1541 104.3136 32.50470       153.5103 
1 1 1 16  17 2  o 175.9290 58.54892 -1.054980      1.345878  -0.6694428     1.892249  -1.449707      1.914666  182.4662 84.82480 169.3918 80.72581 13.07439       117.0978 
1 1 1 16  17 3  o 280.3470 76.66862 2.794008       1.557679  2.377192       2.456203  3.074425       2.014628  268.2088 110.9527 292.4852 105.8386 -24.27640      153.3372 
1 1 1 16  17 4  o 176.8717 59.47334 -1.219779      1.464405  -0.5738111     1.924246  -2.108775      2.257380  182.1861 84.97562 171.5574 83.23134 10.62871       118.9467 
1 1 1 16  17 5  o 281.2971 84.85523 3.147224       1.955534  2.816519       2.243865  4.191689       3.987703  270.9759 108.2615 291.6184 130.6946 -20.64252      169.7105 
1 1 1 16  17 6  o 247.2897 71.97631 2.208144       1.459733  1.856973       2.280777  2.451796       1.899799  238.5771 103.1074 256.0022 100.4550 -17.42513      143.9526 
1 1 1 16  17 7  o 243.0668 76.96409 2.057391       2.050376  3.163023       2.590382  0.2026235      3.355084  266.7520 112.3950 219.3816 105.1725 47.37039       153.9282 
1 1 1 16  17 8  o 300.7416 80.85561 4.343209       1.783565  5.716289       2.508056  2.938391       2.536876  344.5407 118.6694 256.9426 109.8548 87.59818       161.7112 
1 1 1 16  17 9  o 226.2917 72.45069 1.623757       1.835385  2.821600       2.532464  0.2984886      2.663763  249.3980 108.2145 203.1853 96.36404 46.21266       144.9014 
1 1 1 16  17 10 o 198.9982 64.85258 0.8762105      1.514757  0.4273833      2.424367  1.163626       1.940055  195.6077 92.52350 202.3886 90.90012 -6.780975      129.7052 
1 1 1 16  18 0  o 292.8146 74.76218 2.873470       1.435556  4.619802       2.290504  1.743732       1.842283  344.4500 113.3811 241.1792 97.47957 103.2708       149.5244 
1 1 1 16  18 1  o 407.7517 89.00030 7.539091       2.028331  7.590875       2.228074  7.288501       4.901301  472.6020 96.38803 342.9015 149.6448 129.7006       178.0006 
1 1 1 16  18 2  o 301.4114 93.15603 3.279412       2.991607  8.687881       4.323644  -1.688092      4.143638  378.3912 150.5658 224.4316 109.7366 153.9596       186.3121 
1 1 1 16  18 3  o 299.2595 85.37295 3.969648       1.897244  3.922868       2.106326  4.170811       4.367838  311.8355 108.6741 286.6836 131.6970 25.15195       170.7459 
1 1 1 16  18 4  o 219.5803 74.39966 0.7956819E-01  1.857307  -0.3981925     2.065969  2.092753       4.240924  185.2511 86.93541 253.9095 120.7620 -68.65842      148.7993 
1 1 1 16  18 5  o 348.5278 115.3681 5.444448       2.370268  5.444448       2.370268  0.000000       0.000000  348.5278 115.3681 ?        ?        ?              ?        
1 1 1 16  18 6  o 252.7066 73.34890 2.672278       1.528308  2.125112       2.399587  3.045721       1.982389  237.5187 104.1521 267.8945 103.3082 -30.37585      146.6978 
1 1 1 16  18 7  o 243.4365 72.99529 2.122348       1.499763  4.035912       2.549608  1.109895       1.854554  281.5601 114.3683 205.3129 90.73659 76.24721       145.9906 
1 1 1 16  18 8  o 221.4027 70.67855 1.594482       1.735598  0.3481219      2.552643  2.666042       2.366883  199.5343 94.54500 243.2712 105.0860 -43.73697      141.3571 
1 1 1 16  18 9  o 209.9145 69.24885 1.274169       1.757231  0.7440712      2.240432  2.121552       2.832655  196.1277 91.54980 223.7014 103.9242 -27.57370      138.4977 
1 1 1 16  18 10 o 233.4718 75.57266 1.261990       1.660149  8.358425       3.492351  -0.8097861     1.886988  309.4040 130.4425 157.5396 76.35226 151.8644       151.1453 
1 1 1 16  19 0  o 235.3036 66.87142 1.433036       1.339429  -0.2876745     1.838521  3.379378       1.955349  179.8204 83.60048 290.7868 104.3940 -110.9664      133.7428 
1 1 1 16  19 1  f 312.1000 108.7791 4.095453       2.110426  4.095453       2.110426  0.000000       0.000000  312.1000 108.7791 ?        ?        ?              ?        
1 1 1 16  19 2  o 283.8187 81.96210 4.028334       2.019001  4.516732       2.194677  1.338821       5.150160  321.8531 110.9996 245.7842 120.6243 76.06885       163.9242 
1 1 1 16  19 3  f 273.6453 78.67301 3.681753       1.976686  4.631484       2.217024  -0.1109629E-04 4.365139  321.1349 111.5170 226.1556 111.0033 94.97928       157.3460 
1 1 1 16  19 4  o 272.6633 86.79865 2.687375       1.958194  1.194598       2.167663  9.310665       4.565951  213.0670 95.85590 332.2596 144.7331 -119.1926      173.5973 
1 1 1 16  19 5  o 318.9741 89.16583 5.456943       2.024834  3.961519       2.470107  8.520270       3.535333  279.6783 112.9321 358.2698 138.0164 -78.59155      178.3317 
1 1 1 16  19 6  o 284.7652 86.03833 4.734835       2.110947  3.787422       2.606774  6.539644       3.597902  267.6901 112.7680 301.8403 129.9760 -34.15021      172.0767 
1 1 1 16  19 7  o 242.1257 80.01035 3.099611       2.451991  1.466435       3.408576  4.851099       3.529883  219.0152 105.2638 265.2362 120.5245 -46.22096      160.0207 
1 1 1 16  19 8  o 182.7260 60.97766 0.2846599      1.472016  0.2833714      2.144611  0.2858077      2.024101  183.8810 86.99042 181.5709 85.47380 2.310013       121.9553 
1 1 1 16  19 9  o 195.0407 66.26239 0.7374465      2.098834  -4.075011      4.039252  2.517344       2.456489  172.1198 87.39812 217.9617 99.62120 -45.84196      132.5248 
1 1 1 16  20 0  o 185.4033 65.75385 -2.082883      1.446534  -2.958216      1.570806  2.801762       3.710670  123.8608 61.79147 246.9457 116.0866 -123.0849      131.5077 
1 1 1 16  20 1  o 326.5765 87.72087 5.189049       1.753309  4.431587       1.932018  8.724574       4.174052  321.7839 104.0261 331.3691 141.2741 -9.585236      175.4417 
1 1 1 16  20 2  o 230.8207 68.46783 2.055099       1.351375  1.710867       1.867209  2.433741       1.958310  219.9971 94.15765 241.6442 99.42691 -21.64703      136.9357 
1 1 1 16  20 3  o 252.5327 99.13963 2.762786       1.851179  2.762786       1.851179  0.000000       0.000000  252.5327 99.13963 ?        ?        ?              ?        
1 1 1 16  20 4  o 285.5800 87.62080 5.673358       2.397670  5.140714       3.767330  6.035993       3.108494  267.5088 122.6745 303.6512 125.1422 -36.14246      175.2416 
1 1 1 16  20 5  o 268.8347 76.97119 3.136019       1.518421  6.163877       2.782855  1.852427       1.811908  319.0346 122.5676 218.6348 93.14203 100.3998       153.9424 
1 1 1 16  20 6  o 206.0723 68.87672 1.199278       1.932859  1.905615       2.317047  -0.4169009     3.504883  216.2391 98.02218 195.9056 96.78669 20.33350       137.7534 
1 1 1 16  20 7  o 223.4677 99.42864 2.515073       2.263673  2.515073       2.263673  0.000000       0.000000  223.4677 99.42864 ?        ?        ?              ?        
1 1 1 16  20 8  o 176.7283 85.02949 0.3334350      2.238818  0.3334350      2.238818  0.000000       0.000000  176.7283 85.02949 ?        ?        ?              ?        
1 1 1 16  21 0  o 184.7849 61.08414 -0.2355648E-01 1.567136  1.385740       1.721320  -6.849879      3.788382  205.2934 89.14697 164.2765 83.53385 41.01686       122.1683 
1 1 1 16  21 1  o 200.9241 62.18353 1.264206       1.216210  1.600086       1.485053  0.5800830      2.119421  210.2422 86.55382 191.6060 89.30624 18.63623       124.3671 
1 1 1 16  21 2  o 236.0408 73.53100 2.797696       1.971398  -1.618549      4.448244  3.877120       2.199166  199.3237 100.0915 272.7579 107.7447 -73.43422      147.0620 
1 1 1 16  21 3  o 228.1443 72.15063 2.496754       1.748980  1.239492       3.724036  2.852540       1.981051  212.4465 103.9094 243.8422 100.1284 -31.39568      144.3013 
1 1 1 16  21 4  o 172.0091 59.49033 -1.093582      1.767014  -2.945312      2.813164  0.1130688      2.270895  161.8625 81.04038 182.1557 87.11402 -20.29323      118.9807 
1 1 1 16  21 5  o 201.3467 69.93041 0.2735062      1.638228  5.971227       4.080133  -0.8215820     1.788745  248.6706 118.3233 154.0228 74.56973 94.64787       139.8608 
1 1 1 16  21 6  o 209.1603 71.31804 2.037706       1.948224  4.959105       4.188224  1.231021       2.200829  226.9761 110.8412 191.3446 89.77353 35.63153       142.6361 
1 1 1 16  22 0  f 205.0237 64.69337 1.572037       1.266452  1.684593       1.379656  0.9693744      3.192455  208.2000 84.28441 201.8474 98.16855 6.352646       129.3867 
1 1 1 16  22 1  o 230.7309 74.33857 2.857666       1.749486  4.452583       3.860395  2.445439       1.962595  236.2099 113.1276 225.2519 96.47301 10.95799       148.6771 
1 1 1 16  22 2  o 175.4818 61.77354 -0.8101301     1.677493  1.035677       3.703252  -1.286646      1.881607  200.9999 99.33773 149.9637 73.45677 51.03627       123.5471 
1 1 1 16  22 3  o 155.9810 56.28259 -2.673812      1.602352  -0.2113041     3.594886  -3.284354      1.790004  187.5533 93.55206 124.4088 62.60137 63.14445       112.5652 
1 1 1 16  22 4  o 179.7900 62.49940 0.2432067      1.858670  0.3067802E-05  3.693326  0.3256909      2.150890  185.5675 92.90115 174.0126 83.63059 11.55486       124.9988 
1 1 1 16  22 5  o 193.0681 96.90849 1.961093       4.147369  1.961093       4.147369  0.000000       0.000000  193.0681 96.90849 ?        ?        ?              ?        
1 1 1 16  23 0  o 196.1231 56.37474 1.419700       1.070525  2.720137       1.340576  -0.8691761     1.778516  244.3322 86.57394 147.9140 72.23155 96.41818       112.7495 
1 1 1 16  23 1  f 177.2517 62.37384 0.1686920      1.798682  1.450873       4.456189  -0.8086263E-01 1.965947  192.1983 96.96990 162.3051 78.47818 29.89322       124.7477 
1 1 1 16  23 2  o 237.5877 100.8096 2.519569       1.918804  -3.605908      4.640398  3.782928       2.107408  ?        ?        237.5877 100.8096 ?              ?        
1 1 1 16  23 3  o 134.2350 46.92473 -1.291518      1.054900  -2.046446      1.315612  0.6781258E-01  1.765377  112.1960 56.06112 156.2739 75.26534 -44.07796      93.84946 
1 1 1 17  0  0  o 850.7120 50.74839 19.09613       3.040418  19.09613       3.040418  19.09613       3.040418  850.7120 71.76906 850.7120 71.76906 0.000000       0.000000 
1 1 1 17  0  1  o 1003.788 45.10140 26.26557       3.211379  26.26557       3.211379  26.26557       3.211379  1003.788 63.78301 1003.788 63.78301 0.000000       0.000000 
1 1 1 17  0  2  o 200.1534 84.48700 1.270241       2.140453  1.270241       2.140453  1.270241       2.140453  200.1534 119.4827 200.1534 119.4827 0.000000       0.000000 
1 1 1 17  0  3  o 200.9947 87.05297 1.119711       2.398391  1.119711       2.398391  1.119711       2.398391  200.9947 123.1115 200.9947 123.1115 0.000000       0.000000 
1 1 1 17  0  4  o 180.8906 80.70962 0.6060612      2.221547  0.6060612      2.221547  0.6060612      2.221547  180.8906 114.1406 180.8906 114.1406 0.000000       0.000000 
1 1 1 17  0  5  o 874.8028 47.37183 20.23679       2.927062  20.23679       2.927062  20.23679       2.927062  874.8028 66.99388 874.8028 66.99388 0.000000       0.000000 
1 1 1 17  0  6  o 552.5991 56.85191 8.510897       2.110457  8.510897       2.110457  8.510897       2.110457  552.5991 80.40075 552.5991 80.40075 0.000000       0.000000 
1 1 1 17  0  7  o 231.8927 91.66139 2.228825       2.276830  2.228825       2.276830  2.228825       2.276830  231.8927 129.6288 231.8927 129.6288 0.000000       0.000000 
1 1 1 17  0  8  o 681.3562 59.00562 12.93245       2.762937  12.93245       2.762937  12.93245       2.762937  681.3562 83.44655 681.3562 83.44655 0.000000       0.000000 
1 1 1 17  0  9  o 239.5603 93.98334 2.538820       2.373621  2.538820       2.373621  2.538820       2.373621  239.5603 132.9125 239.5603 132.9125 0.000000       0.000000 
1 1 1 17  0  10 o 215.6942 92.44789 1.907477       2.642624  1.907477       2.642624  1.907477       2.642624  215.6942 130.7411 215.6942 130.7411 0.000000       0.000000 
1 1 1 17  0  11 o 206.4921 96.01151 1.222962       3.595163  1.222962       3.595163  1.222962       3.595163  206.4921 135.7808 206.4921 135.7808 0.000000       0.000000 
1 1 1 17  0  12 o 105.7408 54.23049 -3.746854      2.241237  -3.746854      2.241237  -3.746854      2.241237  105.7408 76.69349 105.7408 76.69349 0.000000       0.000000 
1 1 1 17  0  13 o 142.7376 69.36780 -0.5772954     2.310176  -0.5772954     2.310176  -0.5772954     2.310176  142.7376 98.10088 142.7376 98.10088 0.000000       0.000000 
1 1 1 17  0  14 o 184.3528 81.76014 1.606678       2.241468  1.606678       2.241468  1.606678       2.241468  184.3528 115.6263 184.3528 115.6263 0.000000       0.000000 
1 1 1 17  0  15 o 492.7280 102.5636 10.43389       3.144410  10.43389       3.144410  10.43389       3.144410  492.7280 145.0468 492.7280 145.0468 0.000000       0.000000 
1 1 1 17  1  0  o 473.9022 74.00156 6.275492       1.728537  7.869608       2.608530  5.027527       2.308005  529.1889 101.0502 418.6154 108.1378 110.5735       148.0031 
1 1 1 17  1  1  o 474.1457 69.77419 6.407056       1.627330  8.231524       2.314381  4.622981       2.288619  547.8812 86.29297 400.4102 109.6689 147.4710       139.5484 
1 1 1 17  1  2  o 550.1028 63.12709 8.467776       1.670975  10.12352       2.344878  6.759498       2.381786  612.0372 77.40670 488.1684 99.74128 123.8687       126.2542 
1 1 1 17  1  3  o 1036.751 46.33906 28.45546       2.416857  26.86118       3.406785  30.07082       3.429231  1006.205 67.26418 1067.296 63.75551 -61.09100      92.67812 
1 1 1 17  1  4  o 527.8044 74.28275 8.128625       1.908735  8.814544       2.616060  7.347813       2.791157  557.6113 96.14062 497.9974 113.2638 59.61389       148.5655 
1 1 1 17  1  5  o 582.0026 61.65417 9.425257       1.755653  8.627027       2.384539  10.37021       2.594459  554.3940 87.88946 609.6113 86.48925 -55.21729      123.3083 
1 1 1 17  1  6  o 238.0445 69.79403 0.5922327      1.446525  -0.6832758     2.125700  1.692288       1.974093  207.3765 93.95664 268.7125 103.2326 -61.33600      139.5881 
1 1 1 17  1  7  o 312.5367 79.01288 2.710523       1.633214  3.736705       2.293472  1.654750       2.326305  350.0894 113.3571 274.9842 110.1013 75.10519       158.0258 
1 1 1 17  1  8  o 564.6098 64.23218 9.188951       1.764401  7.950369       2.398945  10.64849       2.604147  519.7861 94.64866 609.4335 86.86037 -89.64746      128.4644 
1 1 1 17  1  9  o 737.4364 64.69100 14.77677       2.265562  11.94973       2.765014  20.55205       3.952003  641.4556 87.41927 833.4172 95.38122 -191.9616      129.3820 
1 1 1 17  1  10 o 537.6223 71.04296 9.026183       1.839044  8.583316       2.806469  9.359462       2.434596  514.8593 110.9410 560.3852 88.77224 -45.52588      142.0859 
1 1 1 17  1  11 o 238.9738 98.37257 1.327325       1.918071  0.000000       0.000000  1.327325       1.918071  ?        ?        238.9738 98.37257 ?              ?        
1 1 1 17  1  12 o 439.0332 80.79224 8.405276       2.252468  11.15495       2.745642  2.745593       3.939120  587.0107 95.68429 291.0557 130.2077 295.9550       161.5845 
1 1 1 17  1  13 o 557.5021 80.78351 10.68769       2.060748  13.20380       3.748821  9.598151       2.466903  573.6013 131.8530 541.4028 93.37395 32.19843       161.5670 
1 1 1 17  1  14 o 285.7141 78.39341 2.734165       1.837667  0.1038271      2.591712  5.393700       2.606056  214.9379 99.69870 356.4903 121.0053 -141.5524      156.7868 
1 1 1 17  1  15 o 539.4429 71.65945 10.80624       1.863447  12.99050       2.599788  8.498372       2.672333  625.0844 84.30174 453.8013 115.9031 171.2831       143.3189 
1 1 1 17  2  0  o 413.6557 90.98296 4.919169       1.984362  5.026405       3.739193  4.877127       2.341252  415.9258 144.8033 411.3856 110.1980 4.540222       181.9659 
1 1 1 17  2  1  o 271.3063 78.63992 0.7535062      1.665943  2.312200       2.852968  -0.5296271E-01 2.052156  319.6913 123.7514 222.9213 97.06978 96.76994       157.2798 
1 1 1 17  2  2  o 690.9459 55.29052 12.90931       1.858570  16.04836       2.694346  10.05974       2.567099  776.6147 69.25405 605.2771 86.20930 171.3376       110.5810 
1 1 1 17  2  3  o 717.6817 52.71473 13.80794       1.860154  11.17295       2.540516  16.85316       2.731125  640.2691 80.12946 795.0943 68.51743 -154.8252      105.4295 
1 1 1 17  2  4  o 1054.146 47.37334 29.59634       2.512075  29.65470       3.473000  29.53230       3.637960  1056.575 65.24557 1051.716 68.70189 4.859497       94.74669 
1 1 1 17  2  5  o 546.6185 69.08514 8.788056       1.807056  10.88329       2.500026  6.495726       2.614973  628.1601 80.46164 465.0770 112.3252 163.0831       138.1703 
1 1 1 17  2  6  o 835.7904 47.77985 18.82706       2.003752  18.18402       2.806307  19.49588       2.861981  820.7227 68.15569 850.8581 66.98103 -30.13538      95.55970 
1 1 1 17  2  7  o 683.3502 57.23313 13.06103       1.941289  12.80578       2.736499  13.31963       2.754383  676.0513 81.60294 690.6490 80.27131 -14.59778      114.4663 
1 1 1 17  2  8  o 778.0262 68.07771 17.94029       2.513065  18.84107       3.224216  16.54597       4.011381  820.5204 78.57691 735.5320 111.1934 84.98840       136.1554 
1 1 1 17  2  9  o 620.5892 77.33641 12.03854       2.248786  12.24907       2.837360  11.68288       3.687801  647.6025 88.88557 593.5759 126.5821 54.02661       154.6728 
1 1 1 17  2  10 o 481.7357 86.54604 8.849758       2.095258  6.107687       4.209321  9.752950       2.415808  389.0306 150.3936 574.4407 85.68913 -185.4101      173.0921 
1 1 1 17  2  11 o 283.1657 77.89628 2.082651       1.649002  4.272598       2.611391  0.6302871      2.126635  341.5695 120.8519 224.7619 98.31657 116.8076       155.7926 
1 1 1 17  2  12 o 224.5394 69.01986 0.1544200      1.562909  2.532445       2.326008  -1.802957      2.110281  276.0730 110.2510 173.0058 83.06429 103.0672       138.0397 
1 1 1 17  2  13 o 243.1839 77.51125 1.117889       1.983431  0.9689865      2.561883  1.340684       3.133726  234.6731 104.9938 251.6948 114.0538 -17.02170      155.0225 
1 1 1 17  2  14 o 455.8825 86.87627 8.481430       2.049198  8.566546       2.969961  8.404091       2.831036  453.8262 125.1932 457.9388 120.4849 -4.112610      173.7525 
1 1 1 17  2  15 o 240.8769 73.47974 1.599447       1.538368  0.5447890      1.866603  3.832680       2.716208  197.1166 88.78989 284.6373 117.1044 -87.52068      146.9595 
1 1 1 17  3  0  f 646.6225 58.35810 11.35864       1.857930  12.51317       2.640447  10.22647       2.614760  681.9342 77.87730 611.3108 86.93560 70.62341       116.7162 
1 1 1 17  3  1  o 326.3163 87.59848 2.577656       1.991345  2.524645       2.939765  2.622605       2.706989  327.2935 125.9192 325.3391 121.8126 1.954376       175.1970 
1 1 1 17  3  2  o 688.8864 64.66023 12.58247       2.139928  10.87648       2.674360  15.61881       3.567851  629.0813 86.24108 748.6915 96.36524 -119.6102      129.3205 
1 1 1 17  3  3  o 512.6856 78.87009 8.723244       2.109610  3.355193       3.340259  12.28530       2.720961  355.2696 134.8065 670.1016 81.90949 -314.8320      157.7402 
1 1 1 17  3  4  o 379.9884 92.98814 4.333754       2.129412  3.724242       3.807616  4.611142       2.568655  368.6151 142.8878 391.3617 119.0388 -22.74655      185.9763 
1 1 1 17  3  5  o 210.2341 70.52689 -2.044336      1.835710  -1.681782      2.169694  -2.957623      3.443627  190.8467 89.41087 229.6215 109.0957 -38.77487      141.0538 
1 1 1 17  3  6  o 961.1033 54.22177 24.24927       2.470285  28.77516       4.399681  22.16563       2.985248  1013.998 86.53220 908.2087 65.36191 105.7892       108.4435 
1 1 1 17  3  7  o 1011.139 55.86968 27.84452       2.784666  25.67390       3.560058  31.26584       4.469541  967.3693 73.23390 1054.909 84.39480 -87.53992      111.7394 
1 1 1 17  3  8  f 413.1633 82.41929 5.954380       1.964743  7.502591       2.415401  2.926724       3.377749  500.3643 98.85568 325.9623 131.9064 174.4020       164.8386 
1 1 1 17  3  9  o 401.8621 101.5660 5.617710       2.425457  6.918149       4.698266  5.145204       2.832020  415.4424 159.3400 388.2818 125.9896 27.16058       203.1320 
1 1 1 17  3  10 o 225.8165 73.76802 -0.8018916     1.920557  0.4873208      3.072232  -1.628891      2.460619  254.4421 114.3265 197.1908 93.25411 57.25133       147.5360 
1 1 1 17  3  11 o 323.4017 77.53485 3.699866       1.647426  4.941309       2.144883  1.913870       2.572647  379.7090 106.9926 267.0944 112.2461 112.6146       155.0697 
1 1 1 17  3  12 o 250.9609 73.22984 1.801682       1.490849  1.501409       2.481278  1.971325       1.865030  248.4924 107.4681 253.4293 99.50404 -4.936844      146.4597 
1 1 1 17  3  13 o 245.4560 79.29771 1.078645       2.153199  1.415712       2.627330  0.3891841      3.757607  244.7413 108.0886 246.1706 116.0576 -1.429245      158.5954 
1 1 1 17  3  14 f 350.2776 74.01618 4.609204       1.752730  1.087019       2.484564  8.098527       2.472947  229.7575 103.0529 470.7976 106.2717 -241.0401      148.0324 
1 1 1 17  4  0  f 419.3825 87.58736 4.565651       1.971369  2.902897       2.422594  7.824875       3.391749  329.7378 116.4296 509.0272 130.8829 -179.2894      175.1747 
1 1 1 17  4  1  o 779.1108 63.50213 16.66346       2.220079  16.66132       2.647404  16.66853       4.075278  792.5706 66.59521 765.6511 108.1442 26.91956       127.0043 
1 1 1 17  4  2  o 812.2223 64.98623 19.79004       2.295693  23.01469       2.850173  13.83388       3.873582  934.8954 60.54294 689.5492 115.0104 245.3462       129.9725 
1 1 1 17  4  3  f 223.7197 67.33633 -0.6017219     1.569405  -4.310603      2.535465  1.701894       1.998210  174.5390 85.44677 272.9005 104.0941 -98.36145      134.6727 
1 1 1 17  4  4  o 380.9717 88.00115 4.356644       1.941867  4.031805       2.592385  4.771926       2.931141  367.5425 120.6041 394.4008 128.1852 -26.85831      176.0023 
1 1 1 17  4  5  o 251.5258 76.70167 0.4582222      1.790476  1.163682       2.278381  -0.6809824     2.895284  261.2621 107.3421 241.7894 109.5913 19.47276       153.4033 
1 1 1 17  4  6  o 322.3615 90.86386 2.572097       2.317480  0.6985312      3.720932  3.759453       2.962154  291.7849 128.7603 352.9381 128.2410 -61.15323      181.7277 
1 1 1 17  4  7  o 849.2415 62.46268 20.69601       2.491544  21.11035       3.097579  19.93664       4.193435  878.5773 70.22694 819.9056 103.3176 58.67175       124.9254 
1 1 1 17  4  8  o 751.2531 76.68098 17.10785       2.441381  17.20089       4.729593  17.07406       2.850508  717.8152 135.1028 784.6909 72.57502 -66.87561      153.3620 
1 1 1 17  4  9  o 396.0351 94.99648 5.660406       2.204452  4.947924       4.507101  5.884445       2.527391  369.1119 151.2352 422.9583 115.0011 -53.84637      189.9930 
1 1 1 17  4  10 o 269.7842 83.28269 1.218401       1.989159  0.6345991      2.385343  2.551244       3.604189  236.6300 103.8005 302.9384 130.2670 -66.30835      166.5654 
1 1 1 17  4  11 o 561.3968 70.41953 10.37004       1.885096  11.32836       2.498103  9.102621       2.872866  611.6786 82.79622 511.1149 113.9317 100.5637       140.8391 
1 1 1 17  4  12 o 329.9463 74.50077 4.313731       1.733821  0.5101666      3.153093  5.962267       2.075825  240.7144 111.0582 419.1782 99.33546 -178.4638      149.0015 
1 1 1 17  4  13 o 240.2991 68.32513 0.8264347      1.636297  -3.766784      2.653664  3.644236       2.078464  169.2888 83.74304 311.3094 107.9833 -142.0206      136.6503 
1 1 1 17  4  14 o 259.5041 83.57112 1.040104       2.254923  -1.216193      2.728850  5.897346       4.003837  196.4484 94.35615 322.5599 137.9618 -126.1115      167.1422 
1 1 1 17  5  0  o 508.2152 76.81750 8.050914       1.876645  9.632465       2.366642  5.372043       3.080115  594.3539 80.74081 422.0765 130.7082 172.2774       153.6350 
1 1 1 17  5  1  o 514.3651 79.56985 9.166108       2.145486  12.53409       2.661907  2.921464       3.624614  679.3502 78.86263 349.3799 138.2249 329.9702       159.1397 
1 1 1 17  5  2  o 623.7309 78.33290 11.31015       2.303149  11.30577       2.907447  11.31752       3.773674  635.1448 93.18953 612.3170 125.9360 22.82788       156.6658 
1 1 1 17  5  3  o 727.8322 74.24438 13.49691       2.423315  11.23341       2.814153  19.99044       4.766487  633.2226 90.34393 822.4418 117.8427 -189.2192      148.4888 
1 1 1 17  5  4  o 275.9678 85.01180 0.6974570      2.102670  1.150335       2.473628  -0.4820077     3.991960  268.2068 111.1807 283.7289 128.6346 -15.52213      170.0236 
1 1 1 17  5  5  o 775.8933 64.43179 17.31518       2.390191  18.46237       3.098430  15.62917       3.756235  821.1076 75.37611 730.6791 104.5192 90.42853       128.8636 
1 1 1 17  5  6  o 372.3122 85.00098 4.121835       1.757023  3.488412       2.169431  5.329428       2.995431  339.7047 110.2726 404.9196 129.3855 -65.21490      170.0020 
1 1 1 17  5  7  o 534.2971 83.70974 9.101473       2.158312  9.323306       2.744066  8.741613       3.495003  558.5696 100.7425 510.0245 133.7169 48.54507       167.4195 
1 1 1 17  5  8  o 250.2133 83.29725 -1.557689      2.608591  -1.318664      4.338547  -1.693025      3.264599  268.6703 126.0503 231.7563 108.9268 36.91396       166.5945 
1 1 1 17  5  9  o 506.6102 98.82456 9.252933       2.474123  10.02821       4.688680  8.953754       2.912641  487.4004 162.3046 525.8199 112.7936 -38.41959      197.6491 
1 1 1 17  5  10 o 257.6867 74.74214 0.9044306      1.766287  -1.797923      2.519831  3.514738       2.476545  195.1342 92.88741 320.2393 117.1216 -125.1050      149.4843 
1 1 1 17  5  11 o 248.7526 72.17319 1.671481       1.471786  2.117141       1.883960  0.9735333      2.357660  261.4790 100.7453 236.0261 103.3743 25.45284       144.3464 
1 1 1 17  5  12 o 288.8119 74.03690 2.696718       1.421968  4.441045       2.246181  1.530123       1.836924  341.9605 112.2651 235.6634 96.55259 106.2971       148.0738 
1 1 1 17  5  13 o 312.0838 81.86332 3.992330       1.740791  3.430528       3.056874  4.261957       2.117715  290.2701 122.1893 333.8975 108.9779 -43.62741      163.7266 
1 1 1 17  5  14 o 349.4397 90.80595 6.608791       2.440692  7.918579       2.942562  3.720832       4.369389  419.7123 127.3520 279.1672 129.4772 140.5451       181.6119 
1 1 1 17  6  0  o 888.1142 61.47809 21.50654       2.555614  21.23838       3.120163  22.05311       4.454601  891.8871 69.65350 884.3413 101.3243 7.545776       122.9562 
1 1 1 17  6  1  f 314.0671 83.69216 2.489114       1.807130  2.707140       2.365914  2.183770       2.799883  318.1725 114.7626 309.9616 121.8485 8.210938       167.3843 
1 1 1 17  6  2  o 374.3508 82.42140 4.384574       1.979836  6.175333       2.405359  0.6228768      3.486208  458.5250 105.7730 290.1765 126.4326 168.3485       164.8428 
1 1 1 17  6  3  o 390.4789 95.30818 4.668159       2.250292  4.578311       2.859559  4.814301       3.646950  386.5267 126.6585 394.4311 142.4508 -7.904327      190.6164 
1 1 1 17  6  4  o 368.1306 121.6309 4.135216       2.635045  4.135216       2.635045  0.000000       0.000000  368.1306 121.6309 ?        ?        ?              ?        
1 1 1 17  6  5  o 509.0125 100.7960 7.654781       2.505608  7.654781       2.505608  0.000000       0.000000  509.0125 100.7960 ?        ?        ?              ?        
1 1 1 17  6  6  o 774.6695 53.14421 16.66771       2.046727  15.41986       2.950907  17.82452       2.841227  742.3350 79.76984 807.0040 70.24245 -64.66895      106.2884 
1 1 1 17  6  7  o 554.2837 87.03029 8.885012       2.361773  0.000000       0.000000  8.885012       2.361773  ?        ?        554.2837 87.03029 ?              ?        
1 1 1 17  6  8  o 543.1100 72.40075 9.149765       1.903058  8.108692       2.803690  10.03921       2.591480  503.2706 112.8266 582.9494 90.76144 -79.67880      144.8015 
1 1 1 17  6  9  f 345.6283 82.10645 4.198145       2.125327  6.392406       2.525456  -1.128007      3.934618  438.3398 113.0607 252.9168 119.0931 185.4230       164.2129 
1 1 1 17  6  10 o 327.0793 88.99543 3.535459       1.993752  2.446460       2.450454  5.668217       3.429286  282.0404 112.9747 372.1183 137.5408 -90.07785      177.9909 
1 1 1 17  6  11 o 251.4769 78.31942 1.361117       1.855784  1.910267       3.169059  1.074522       2.289385  268.1023 118.5426 234.8515 102.3884 33.25075       156.6388 
1 1 1 17  6  12 o 232.1724 74.12226 0.2289801      1.636911  3.126057       3.151196  -0.8416473     1.915643  286.3945 122.4409 177.9502 83.57434 108.4443       148.2445 
1 1 1 17  6  13 o 207.5931 68.28835 0.1909577E-01  1.663797  -1.747975      3.337485  0.6034809      1.919296  208.3634 101.1144 206.8228 91.81000 1.540649       136.5767 
1 1 1 17  6  14 o 284.2737 79.07360 3.426732       1.701522  4.375449       2.427014  2.509703       2.386138  312.7662 115.6877 255.7811 107.8281 56.98512       158.1472 
1 1 1 17  7  0  o 227.8505 68.89590 0.3425897E-01  1.491650  1.277369       1.996609  -1.536029      2.244026  257.3605 102.3452 198.3404 92.26069 59.02010       137.7918 
1 1 1 17  7  1  o 371.1761 87.02869 4.266270       1.970512  2.250129       3.584741  5.139261       2.358861  327.3953 134.5938 414.9568 110.3652 -87.56152      174.0574 
1 1 1 17  7  2  f 731.0354 85.35293 16.26742       3.000366  14.34311       4.457205  17.86189       4.057257  676.1978 134.9269 785.8730 104.5716 -109.6752      170.7059 
1 1 1 17  7  3  o 897.7552 67.65580 23.55528       2.851434  25.66843       3.639076  20.19444       4.589345  970.8098 74.61219 824.7008 112.8816 146.1089       135.3116 
1 1 1 17  7  4  f 619.7609 79.85930 11.39199       2.381842  7.948087       3.172392  15.84161       3.605979  500.2829 125.4741 739.2389 98.82445 -238.9560      159.7186 
1 1 1 17  7  5  o 503.8373 82.51628 9.700739       2.118701  11.71538       2.446836  3.664147       4.235475  649.9005 75.78951 357.7741 146.6005 292.1263       165.0326 
1 1 1 17  7  6  o 381.2289 95.90201 4.557062       2.607553  7.586788       3.594811  1.192859       3.788047  465.8839 140.6264 296.5739 130.4339 169.3100       191.8040 
1 1 1 17  7  7  o 297.8517 85.74984 2.288466       1.968891  1.218561       3.758678  2.693058       2.311378  292.5036 129.2275 303.1998 112.7493 -10.69617      171.4997 
1 1 1 17  7  8  o 184.5928 62.23439 -2.257265      1.614331  -3.368346      2.202330  -0.9670231     2.373258  162.8396 79.70152 206.3460 95.60410 -43.50639      124.4688 
1 1 1 17  7  9  o 644.1896 73.15092 13.39297       2.200805  8.961874       3.112821  17.82173       3.111997  506.7973 122.6451 781.5819 79.76467 -274.7846      146.3018 
1 1 1 17  7  10 o 930.7833 51.84616 25.18837       2.415375  22.75775       3.339600  27.85441       3.497587  879.6213 75.73027 981.9453 70.83094 -102.3239      103.6923 
1 1 1 17  7  11 o 599.3816 80.17477 13.89836       2.210971  9.200249       3.608421  16.72243       2.797650  451.9534 141.7241 746.8097 75.00835 -294.8563      160.3495 
1 1 1 17  7  12 o 478.3395 77.71800 8.091823       1.869859  5.558151       2.423216  11.82084       2.939775  374.5525 115.9260 582.1264 103.5447 -207.5739      155.4360 
1 1 1 17  7  13 o 224.4619 71.79757 0.7822720      1.745507  1.730213       2.595910  -0.1923147E-04 2.358213  244.0583 107.6312 204.8655 95.05312 39.19286       143.5951 
1 1 1 17  7  14 o 417.4482 139.9457 9.551732       3.485309  0.000000       0.000000  9.551732       3.485309  ?        ?        417.4482 139.9457 ?              ?        
1 1 1 17  8  0  o 985.6396 68.23612 27.51104       3.333738  27.66460       4.467299  27.31805       5.008154  995.8350 89.56637 975.4443 102.9686 20.39069       136.4722 
1 1 1 17  8  1  f 754.2269 81.19830 16.62343       2.956659  21.09127       4.482318  13.18207       3.933857  851.3112 106.3172 657.1426 122.7571 194.1686       162.3966 
1 1 1 17  8  2  o 482.1700 100.0066 7.777287       2.607077  7.134818       4.007362  8.248754       3.432873  457.7361 149.9362 506.6039 132.3798 -48.86771      200.0132 
1 1 1 17  8  3  o 505.7131 101.4221 8.507391       2.694317  7.562895       3.542312  9.803837       4.150152  476.4890 138.5442 534.9371 148.1596 -58.44815      202.8442 
1 1 1 17  8  4  o 627.6019 86.47437 12.13404       2.467466  12.96360       4.446179  11.76484       2.966150  618.6907 144.5537 636.5131 94.94990 -17.82239      172.9487 
1 1 1 17  8  5  o 773.8476 75.47433 17.82622       2.599196  18.37661       4.752306  17.59130       3.104719  754.6716 129.0190 793.0236 78.35564 -38.35193      150.9487 
1 1 1 17  8  6  o 451.1264 94.26177 7.161054       2.525951  3.931061       3.669382  10.07027       3.482414  351.0124 139.0109 551.2404 127.3464 -200.2279      188.5235 
1 1 1 17  8  7  f 359.5829 77.61217 4.339927       1.915370  6.772923       2.392756  -0.6020497E-04 3.195744  465.3349 104.1630 253.8310 115.0854 211.5038       155.2243 
1 1 1 17  8  8  o 236.8151 74.21206 0.3759068      1.769527  0.9036897      2.557899  -0.1084986     2.450531  249.5890 108.5273 224.0412 101.2500 25.54778       148.4241 
1 1 1 17  8  9  o 340.0181 86.83072 4.145528       1.979992  5.591925       2.839782  2.777184       2.762097  385.2934 126.2180 294.7427 119.2783 90.55069       173.6614 
1 1 1 17  8  10 o 216.6739 69.17071 0.7426059E-01  1.660241  1.209197       2.280329  -1.206010      2.421935  238.4792 103.0811 194.8686 92.26389 43.61069       138.3414 
1 1 1 17  8  11 f 207.8014 67.05404 0.1370607      1.551183  0.1405967E-01  2.054436  0.3001657      2.365767  200.1014 91.32051 215.5014 98.21172 -15.40004      134.1081 
1 1 1 17  8  12 o 297.2908 71.92319 2.934781       1.526849  5.604337       2.206075  0.4802561      2.115361  385.0737 108.5094 209.5079 94.43240 175.5659       143.8464 
1 1 1 17  8  13 o 177.6640 59.65446 -2.258354      1.527950  1.243170       2.232872  -5.341909      2.095372  224.9694 99.48599 130.3587 65.85711 94.61070       119.3089 
1 1 1 17  8  14 o 218.5747 71.45974 -0.2040467     2.054523  -4.384994      2.927561  3.853402       2.883999  163.5365 81.99388 273.6129 117.0597 -110.0764      142.9195 
1 1 1 17  9  0  o 874.0963 75.78316 22.40808       3.255463  19.50967       4.543931  25.46475       4.666348  807.5786 114.3328 940.6140 99.50061 -133.0354      151.5663 
1 1 1 17  9  1  o 845.6027 71.78584 20.80094       3.006695  20.44674       4.337540  21.12855       4.171534  835.0151 104.9209 856.1902 98.00218 -21.17511      143.5717 
1 1 1 17  9  2  o 823.0702 72.34230 19.68765       2.750979  20.17583       4.781914  19.44616       3.363258  810.0043 120.2598 836.1360 80.44386 -26.13165      144.6846 
1 1 1 17  9  3  o 249.9949 109.8256 0.3141199      2.679016  0.000000       0.000000  0.3141199      2.679016  ?        ?        249.9949 109.8256 ?              ?        
1 1 1 17  9  4  o 423.5397 122.7763 5.855619       2.785655  0.000000       0.000000  5.855619       2.785655  ?        ?        423.5397 122.7763 ?              ?        
1 1 1 17  9  5  o 251.3651 101.4711 1.344196       1.993582  0.000000       0.000000  1.344196       1.993582  ?        ?        251.3651 101.4711 ?              ?        
1 1 1 17  9  6  o 491.0103 82.36427 8.212312       2.034259  6.238173       3.227917  9.512914       2.620027  418.9102 134.3610 563.1104 95.30280 -144.2002      164.7285 
1 1 1 17  9  7  o 466.8425 81.31818 8.705943       2.270966  11.55670       2.734753  2.373123       4.076019  623.1367 89.23407 310.5483 135.9701 312.5884       162.6364 
1 1 1 17  9  8  o 339.6171 91.19096 4.102826       2.059732  4.016253       2.423263  4.328197       3.909820  339.6866 116.6663 339.5477 140.1861 0.1389465      182.3819 
1 1 1 17  9  9  o 349.4932 87.87882 4.762623       1.997798  3.825157       2.924866  5.582497       2.735278  318.3403 124.7233 380.6460 123.8340 -62.30569      175.7576 
1 1 1 17  9  10 o 320.5215 81.37862 3.866401       1.833728  1.832244       2.611089  5.846001       2.575836  255.7531 110.4262 385.2898 119.5658 -129.5367      162.7572 
1 1 1 17  9  11 o 426.8416 79.76364 6.969778       1.754032  7.282835       2.402236  6.612272       2.567116  446.2926 107.5795 407.3905 117.7947 38.90210       159.5273 
1 1 1 17  9  12 o 179.0329 59.34420 -1.615012      1.458725  -4.340090      2.069571  1.075468       2.056391  138.0054 69.15680 220.0603 96.45867 -82.05492      118.6884 
1 1 1 17  9  13 o 230.8997 74.47240 1.090454       1.957461  -0.4956132     2.665221  2.947950       2.884273  199.3480 95.06833 262.4515 114.6585 -63.10347      148.9448 
1 1 1 17  10 0  o 544.0679 66.72661 8.471298       1.722578  5.150343       2.293113  12.77239       2.609655  409.7575 108.7373 678.3784 77.36897 -268.6208      133.4532 
1 1 1 17  10 1  o 937.1428 57.68051 24.27263       2.541060  25.38464       4.436881  23.72987       3.099777  937.6945 94.76191 936.5911 65.79015 1.103333       115.3610 
1 1 1 17  10 2  o 562.1198 86.53843 10.97109       2.336211  7.419540       3.986361  12.82899       2.883235  454.3707 149.5772 669.8688 87.07625 -215.4981      173.0769 
1 1 1 17  10 3  o 456.5944 90.14304 7.753280       2.399601  3.599016       4.317626  9.609921       2.886436  351.1396 146.3326 562.0493 105.3084 -210.9097      180.2861 
1 1 1 17  10 4  o 291.5759 87.87941 1.686703       2.121872  2.038789       3.949248  1.543816       2.515854  311.9368 135.2430 271.2149 112.2519 40.72189       175.7588 
1 1 1 17  10 5  o 321.3265 74.76531 2.717905       1.811853  -1.429147      2.760741  5.855576       2.401373  215.6136 100.9639 427.0395 110.2983 -211.4259      149.5306 
1 1 1 17  10 6  o 311.0684 79.50218 0.5941335E-01  1.889438  7.632070       3.400544  -3.322516      2.272514  455.6471 136.6026 166.4897 81.37640 289.1574       159.0044 
1 1 1 17  10 7  o 452.2680 81.10651 7.666898       1.979568  4.589237       3.343048  9.328732       2.456553  350.7765 134.4394 553.7596 90.76949 -202.9831      162.2130 
1 1 1 17  10 8  o 160.6643 56.91016 -5.385763      1.839275  -6.025444      2.365446  -4.407641      2.925013  142.4106 71.69914 178.9180 88.39853 -36.50731      113.8203 
1 1 1 17  10 9  o 233.4685 72.02808 -0.3339209     2.065111  3.087373       2.414278  -9.662715      3.986620  292.1707 113.6333 174.7663 88.54184 117.4045       144.0562 
1 1 1 17  10 10 o 597.8750 74.12045 12.66084       2.124515  10.88144       3.131169  14.17888       2.892088  533.7325 118.9209 662.0175 88.50523 -128.2850      148.2409 
1 1 1 17  10 11 f 249.9726 76.37348 2.003864       1.780142  1.144811       3.063773  2.441681       2.187223  239.3234 110.0730 260.6217 105.9036 -21.29831      152.7470 
1 1 1 17  10 12 o 232.7907 72.63218 1.527221       1.668427  1.523484       2.505914  1.530196       2.236097  234.3459 104.4159 231.2355 100.9903 3.110474       145.2644 
1 1 1 17  10 13 o 231.8474 105.1862 1.781328       2.675081  1.781328       2.675081  0.000000       0.000000  231.8474 105.1862 ?        ?        ?              ?        
1 1 1 17  11 0  o 482.8398 83.31742 8.008533       2.017315  5.599838       3.534968  9.171814       2.456616  402.8127 140.7620 562.8670 89.18086 -160.0544      166.6348 
1 1 1 17  11 1  o 358.1407 90.65794 3.648548       2.038134  6.205327       3.469364  2.301154       2.518550  421.0315 139.5864 295.2498 115.7199 125.7816       181.3159 
1 1 1 17  11 2  o 543.9298 81.45595 9.155799       2.139899  10.73608       3.408120  8.127337       2.749424  577.6599 120.4378 510.1997 109.7042 67.46021       162.9119 
1 1 1 17  11 3  o 456.0455 85.85131 6.941755       2.024795  7.441631       2.762172  6.361159       2.976848  480.5036 115.0666 431.5873 127.4420 48.91635       171.7026 
1 1 1 17  11 4  f 647.9824 62.13010 12.36542       1.967026  11.01984       2.817404  13.64507       2.747504  605.9037 94.96719 690.0610 80.13634 -84.15735      124.2602 
1 1 1 17  11 5  o 368.9593 77.09370 4.423641       1.541654  3.880477       2.094425  5.065924       2.277522  345.3174 107.9229 392.6011 110.1199 -47.28372      154.1874 
1 1 1 17  11 6  o 285.6257 79.25907 2.357628       1.747678  1.041778       2.650021  3.370447       2.324943  253.2013 110.2796 318.0501 113.8702 -64.84882      158.5181 
1 1 1 17  11 7  o 537.3113 87.28967 10.20118       2.108016  10.86038       4.162646  9.973823       2.444669  503.2254 151.1976 571.3971 87.27676 -68.17166      174.5793 
1 1 1 17  11 8  o 267.6752 83.28285 1.592721       1.950550  3.618062       3.776487  0.8558420      2.277913  305.7348 132.4029 229.6157 101.0623 76.11917       166.5657 
1 1 1 17  11 9  o 496.0291 108.8382 12.57454       3.137923  9.858615       4.371141  15.46241       4.507380  418.9928 155.2010 573.0654 152.6293 -154.0726      217.6765 
1 1 1 17  11 10 o 288.2627 85.93397 3.584617       2.147556  3.776823       2.778742  3.299529       3.384180  295.9081 119.6766 280.6174 123.3536 15.29071       171.8679 
1 1 1 17  11 11 o 199.8062 68.58928 -1.793341      1.812726  -3.155560      2.138239  1.687141       3.417846  151.6461 75.04337 247.9663 114.8323 -96.32011      137.1786 
1 1 1 17  11 12 o 242.7828 70.57428 1.668034       1.500445  -0.1801003     2.008939  3.999650       2.256464  185.5253 86.63110 300.0403 111.4359 -114.5149      141.1486 
1 1 1 17  12 0  o 337.1898 86.57973 3.650657       1.945422  2.685384       3.100981  4.277133       2.498194  312.2825 126.3812 362.0971 118.3723 -49.81464      173.1595 
1 1 1 17  12 1  o 553.9500 82.93268 10.51150       2.194108  7.819146       3.618103  12.07752       2.759397  463.5977 141.3382 644.3022 86.80337 -180.7046      165.8654 
1 1 1 17  12 2  o 399.6491 84.51922 5.377779       1.938605  7.135493       2.718488  3.558988       2.765315  467.1960 115.5707 332.1022 123.3588 135.0938       169.0384 
1 1 1 17  12 3  o 471.4015 85.82475 7.565261       2.094563  9.055772       2.964808  6.080064       2.959519  527.5096 114.3165 415.2934 128.0441 112.2163       171.6495 
1 1 1 17  12 4  o 293.8131 87.67378 2.276500       2.166212  2.715390       2.533432  1.083153       4.177481  298.8531 116.3561 288.7731 131.1794 10.07999       175.3476 
1 1 1 17  12 5  o 584.7301 64.56406 10.47200       1.835719  11.26844       2.540016  9.601126       2.656069  616.1921 83.57780 553.2681 98.43184 62.92401       129.1281 
1 1 1 17  12 6  o 288.9628 84.89161 2.566705       1.956613  2.078638       3.792492  2.743735       2.284059  287.9368 128.3620 289.9889 111.1285 -2.052063      169.7832 
1 1 1 17  12 7  o 327.3755 72.75089 3.958957       1.970599  -4.200686      3.889195  6.777354       2.285731  208.0195 102.6203 446.7315 103.1496 -238.7120      145.5018 
1 1 1 17  12 8  o 330.0415 93.22504 4.995379       2.372602  5.827150       3.366911  4.174920       3.343938  351.0562 134.8299 309.0268 128.7809 42.02939       186.4501 
1 1 1 17  12 9  o 459.0659 82.91510 8.395667       1.964886  6.974362       2.771181  9.832645       2.786417  403.8938 123.7991 514.2380 110.3333 -110.3442      165.8302 
1 1 1 17  12 10 o 267.0936 82.61585 2.546603       2.047700  1.362791       2.566176  4.621614       3.397468  232.8132 104.5560 301.3740 127.9436 -68.56079      165.2317 
1 1 1 17  12 11 o 237.8224 71.47739 1.927791       1.510301  2.231057       2.087656  1.594784       2.187625  246.2885 102.1206 229.3563 100.0372 16.93222       142.9548 
1 1 1 17  12 12 o 213.9469 67.23365 1.242412       1.488180  1.971537       2.051090  0.4318997      2.162538  230.9033 98.75156 196.9905 91.26656 33.91278       134.4673 
1 1 1 17  13 0  o 489.3991 82.77309 9.120313       2.060385  10.67183       2.424935  5.092179       3.907268  607.8095 80.80686 370.9887 144.4846 236.8208       165.5462 
1 1 1 17  13 1  o 278.8732 70.48927 1.502382       1.608523  4.460171       2.166826  -2.128357      2.400700  369.5704 108.6159 188.1760 89.87505 181.3945       140.9785 
1 1 1 17  13 2  o 380.0653 80.65738 4.922101       1.697955  5.497607       2.283770  4.210770       2.539001  409.5846 108.4318 350.5461 119.4362 59.03851       161.3148 
1 1 1 17  13 3  o 440.4191 92.69319 7.189941       2.191704  7.111598       3.700286  7.232280       2.720206  420.1399 144.1735 460.6982 116.5423 -40.55829      185.3864 
1 1 1 17  13 4  o 425.4952 94.76479 6.693725       2.233437  8.759828       3.642885  5.449369       2.827104  468.2225 141.6154 382.7678 125.9624 85.45474       189.5296 
1 1 1 17  13 5  o 214.1251 96.53970 0.9816121E-01  2.212568  0.9816121E-01  2.212568  0.000000       0.000000  214.1251 96.53970 ?        ?        ?              ?        
1 1 1 17  13 6  o 323.1271 83.38393 3.966868       2.086668  6.137287       2.671546  0.5710810      3.341652  398.5522 121.4382 247.7019 114.2991 150.8503       166.7679 
1 1 1 17  13 7  o 248.7541 78.53053 1.169618       1.886281  0.2186349      2.295895  3.144807       3.308796  211.6176 96.56134 285.8906 123.8712 -74.27296      157.0611 
1 1 1 17  13 8  o 556.2842 75.80181 11.29103       2.045830  10.90065       3.033220  11.61683       2.771008  532.6702 115.7816 579.8981 97.86873 -47.22784      151.6036 
1 1 1 17  13 9  o 396.4175 92.81888 7.748749       2.208110  7.437751       3.604187  7.935619       2.793827  363.2114 139.4996 429.6236 122.4796 -66.41220      185.6378 
1 1 1 17  13 10 o 141.3190 70.63670 -3.886631      2.096664  -3.886631      2.096664  0.000000       0.000000  141.3190 70.63670 ?        ?        ?              ?        
1 1 1 17  13 11 f 210.4725 94.56013 1.066518       2.101148  1.066518       2.101148  0.000000       0.000000  210.4725 94.56013 ?        ?        ?              ?        
1 1 1 17  13 12 o 223.2416 76.79617 0.3759043      2.379931  -2.229164      2.855814  6.297910       4.305809  173.6364 86.06792 272.8469 127.2121 -99.21046      153.5923 
1 1 1 17  14 0  o 684.1605 74.11116 14.48895       2.286857  15.81294       4.123678  13.90092       2.748168  678.3120 124.6745 690.0091 80.16309 -11.69708      148.2223 
1 1 1 17  14 1  o 504.0247 94.94443 8.884213       2.278445  11.18032       4.366227  8.024981       2.670949  515.7083 154.8288 492.3411 109.9356 23.36719       189.8889 
1 1 1 17  14 2  o 303.0605 88.79884 2.969072       2.217141  3.600772       2.510204  0.7276756      4.728387  321.7133 117.8763 284.4078 132.8387 37.30551       177.5977 
1 1 1 17  14 3  f 227.5215 77.86187 -1.740842      2.145446  -2.273040      2.423662  0.1862195      4.611935  182.7450 88.05688 272.2980 128.4362 -89.55307      155.7237 
1 1 1 17  14 4  o 484.5764 79.54066 8.225875       1.912540  8.208275       2.769127  8.241928       2.644645  480.1788 115.3514 488.9741 109.5487 -8.795258      159.0813 
1 1 1 17  14 5  o 394.0725 71.25678 5.304508       1.632386  8.976832       2.414535  2.212985       2.215385  524.5450 94.39258 263.6001 106.7715 260.9449       142.5136 
1 1 1 17  14 6  o 262.6005 75.00613 2.299940       1.537298  2.986057       2.312776  1.756845       2.057654  282.1554 110.7988 243.0456 101.1301 39.10985       150.0123 
1 1 1 17  14 7  o 265.5591 81.00901 2.663717       2.084833  3.486651       2.408008  0.2002443      4.166288  290.7111 113.3691 240.4071 115.7467 50.30400       162.0180 
1 1 1 17  14 8  o 427.1896 74.75375 7.419474       1.817520  3.913409       2.585660  10.84377       2.555332  294.6324 116.6885 559.7468 93.46803 -265.1144      149.5075 
1 1 1 17  14 9  f 215.8239 72.37905 0.1288926      2.174004  -2.460539      3.918930  1.280016       2.612920  204.8107 101.3953 226.8372 103.3146 -22.02644      144.7581 
1 1 1 17  14 10 o 205.7701 69.99034 -0.3717200     2.161923  -1.652681      3.106256  0.8317368      3.010818  191.9225 94.08714 219.6177 103.6446 -27.69516      139.9807 
1 1 1 17  14 11 o 257.4850 82.16020 3.396286       2.255400  1.412871       2.937166  6.246280       3.520818  218.5804 102.9162 296.3896 128.0994 -77.80922      164.3204 
1 1 1 17  15 0  o 434.9287 87.89123 7.211861       2.058944  7.776183       2.644629  6.343451       3.280679  475.7549 111.7076 394.1025 135.7236 81.65240       175.7825 
1 1 1 17  15 1  o 364.3108 83.12171 4.881806       1.749874  4.430386       2.437218  5.362103       2.513957  347.1382 117.0238 381.4834 118.0775 -34.34515      166.2434 
1 1 1 17  15 2  o 268.9744 75.30576 2.066796       1.649359  3.569064       2.238297  0.2818734      2.439798  314.9661 111.8382 222.9828 100.8764 91.98332       150.6115 
1 1 1 17  15 3  o 360.1507 84.59280 5.113178       1.901161  6.625598       2.643385  3.492544       2.736319  417.1237 119.2127 303.1777 120.0504 113.9460       169.1856 
1 1 1 17  15 4  o 358.5069 79.92045 5.169684       1.806840  6.913001       2.402598  2.900231       2.741282  436.0033 109.1076 281.0105 116.8103 154.9928       159.8409 
1 1 1 17  15 5  o 263.5613 70.14413 2.239598       1.500499  -0.3070583     2.335371  4.030031       1.958168  200.1946 93.45531 326.9280 104.6274 -126.7334      140.2883 
1 1 1 17  15 6  o 385.1463 92.18166 7.489903       2.214818  7.550800       2.567952  7.313033       4.376380  433.8801 115.0362 336.4126 144.0712 97.46753       184.3633 
1 1 1 17  15 7  o 420.9567 76.57801 7.642932       1.889510  4.087049       2.781307  10.69074       2.574949  292.7410 119.2418 549.1724 96.11531 -256.4314      153.1560 
1 1 1 17  15 8  o 379.4911 83.49438 6.476827       1.779708  6.226060       2.565809  6.709341       2.470662  366.4352 119.9719 392.5470 116.1550 -26.11176      166.9888 
1 1 1 17  15 9  o 373.0953 91.34419 7.658694       2.155926  7.736959       2.688894  7.517811       3.607601  407.4188 121.3186 338.7719 136.5901 68.64691       182.6884 
1 1 1 17  15 10 o 282.7510 79.91674 4.497062       2.018680  1.684905       3.475301  5.929055       2.479951  225.6239 107.8646 339.8781 117.9491 -114.2543      159.8335 
1 1 1 17  16 0  o 351.3983 77.71825 4.484041       1.716096  2.137327       2.392743  6.969817       2.462618  262.7349 109.1660 440.0616 110.6494 -177.3266      155.4365 
1 1 1 17  16 1  o 393.3933 80.93354 5.960497       1.777587  7.404124       2.489889  4.459839       2.538594  453.2455 109.6912 333.5412 119.0328 119.7042       161.8671 
1 1 1 17  16 2  o 444.3743 76.45531 7.433845       1.833996  4.443591       2.574989  10.51244       2.612748  327.7524 119.4940 560.9962 95.40888 -233.2438      152.9106 
1 1 1 17  16 3  o 256.8611 76.48637 2.200208       1.695875  1.716562       2.327083  2.747977       2.476547  242.6782 104.5154 271.0441 111.7014 -28.36588      152.9727 
1 1 1 17  16 4  o 211.2585 73.37560 -2.127707      1.889427  -3.534973      2.120686  3.289576       4.160820  147.3166 73.21664 275.2004 127.1819 -127.8838      146.7512 
1 1 1 17  16 5  o 262.1172 75.57375 2.699429       1.583487  3.109928       2.292068  2.324615       2.190181  273.6371 109.3850 250.5974 104.3096 23.03967       151.1475 
1 1 1 17  16 6  o 185.3556 62.32323 -0.5836427     1.571755  -0.8710890     2.519486  -0.4005016     2.011067  189.2735 90.84463 181.4378 85.34632 7.835693       124.6465 
1 1 1 17  16 7  f 414.0027 76.83164 7.386162       1.796024  4.572628       2.539419  10.20210       2.540504  304.6835 117.0769 523.3218 99.52589 -218.6384      153.6633 
1 1 1 17  16 8  o 303.9076 89.33169 5.338968       2.189718  4.403853       2.719716  7.062166       3.691975  288.1090 117.6980 319.7061 134.4165 -31.59711      178.6634 
1 1 1 17  16 9  o 191.7581 65.60651 -0.3831920     1.941679  -0.4147839     2.611913  -0.3441663     2.902992  188.6745 91.03580 194.8416 94.49519 -6.167068      131.2130 
1 1 1 17  16 10 o 250.9183 81.84965 3.570500       2.172892  8.194798       4.034674  1.681327       2.578823  291.0515 130.8734 210.7851 98.33426 80.26633       163.6993 
1 1 1 17  17 0  o 179.7833 60.15413 -1.485224      1.501381  -3.474448      2.093239  0.6224102      2.154639  147.4410 73.18648 212.1257 95.48727 -64.68472      120.3083 
1 1 1 17  17 1  o 253.5613 82.94968 1.500869       2.668542  3.815642       3.505547  -1.688871      4.115090  286.3069 125.7075 220.8157 108.2600 65.49120       165.8994 
1 1 1 17  17 2  o 266.2904 74.81856 2.176738       1.704208  -0.3652472     2.339929  5.048351       2.487018  195.3646 91.94701 337.2163 118.0551 -141.8517      149.6371 
1 1 1 17  17 3  o 261.0005 78.27552 2.666283       1.826105  3.873527       2.647470  1.570673       2.522096  289.1993 116.8673 232.8016 104.1646 56.39766       156.5510 
1 1 1 17  17 4  o 280.4934 81.73160 3.839939       2.087318  5.062173       2.553558  1.378881       3.623510  324.6530 118.8995 236.3338 112.1745 88.31921       163.4632 
1 1 1 17  17 5  o 285.7490 78.00311 3.739841       1.599791  3.840961       2.275309  3.640976       2.249800  288.7485 110.8529 282.7496 109.7705 5.998871       156.0062 
1 1 1 17  17 6  o 274.7153 79.45880 3.729371       1.819200  2.761921       2.794958  4.440511       2.396285  248.5251 110.5343 300.9055 114.1796 -52.38039      158.9176 
1 1 1 17  17 7  o 213.5139 69.41508 0.9870291      1.744765  -0.3652898     2.395881  2.513987       2.545887  186.8778 89.40104 240.1501 106.2133 -53.27237      138.8302 
1 1 1 17  17 8  o 295.3453 86.44473 5.364048       2.037882  4.604210       2.489117  6.908827       3.549096  288.2163 114.3811 302.4744 129.6446 -14.25803      172.8895 
1 1 1 17  17 9  o 187.1953 66.63001 -2.168725      2.758703  -3.958670      3.647155  0.2248006      4.217484  171.2411 86.54601 203.1495 101.3312 -31.90846      133.2600 
1 1 1 17  18 0  o 199.6089 64.50928 0.3371667      1.469670  -0.4893746     2.032956  1.242026       2.127092  180.7617 85.26443 218.4560 96.82855 -37.69429      129.0186 
1 1 1 17  18 1  o 187.5583 63.03225 -0.6542596     1.615642  -1.573612      2.172928  0.4823700      2.416094  168.3668 81.67796 206.7499 96.02588 -38.38313      126.0645 
1 1 1 17  18 2  o 196.3279 91.74514 0.1620383      2.259908  0.000000       0.000000  0.1620383      2.259908  ?        ?        196.3279 91.74514 ?              ?        
1 1 1 17  18 3  o 235.4382 72.79395 2.026551       1.663146  2.910134       2.398590  1.208376       2.308106  255.5373 107.9377 215.3390 97.69997 40.19824       145.5879 
1 1 1 17  18 4  o 291.5169 80.21229 4.291609       1.766175  5.172757       2.401358  3.253273       2.606763  323.9894 115.7550 259.0444 111.0712 64.94501       160.4246 
1 1 1 17  18 5  o 285.7993 84.45898 4.350334       1.901182  6.251783       3.720440  3.678324       2.211770  295.0384 129.5231 276.5602 108.4299 18.47821       168.9180 
1 1 1 17  18 6  f 195.2323 64.62060 0.5347259      1.581973  0.2550266      2.549949  0.7097398      2.017075  196.0031 93.33949 194.4615 89.39255 1.541534       129.2412 
1 1 1 17  18 7  o 212.2966 69.71240 1.424978       1.826060  2.804091       2.612218  0.1070097      2.553655  234.7632 105.4568 189.8301 91.20384 44.93304       139.4248 
1 1 1 17  18 8  o 243.2616 76.14286 3.610679       1.869298  2.538123       2.570649  4.814228       2.723107  220.8593 101.3014 265.6638 113.7056 -44.80452      152.2857 
1 1 1 17  19 0  f 155.1776 54.33353 -2.126075      1.408707  -2.116626      1.672623  -2.149133      2.612863  138.3851 68.08038 171.9702 84.69706 -33.58516      108.6671 
1 1 1 17  19 1  o 242.9179 77.71106 2.608793       1.995360  2.082427       2.529804  3.475345       3.245935  231.1734 103.8165 254.6625 115.6640 -23.48911      155.4221 
1 1 1 17  19 2  o 196.2427 63.97483 0.1115621      1.588288  -2.257325      2.331135  2.164052       2.169880  161.0486 79.44859 231.4369 100.2948 -70.38831      127.9497 
1 1 1 17  19 3  o 144.3959 50.36428 -2.637941      1.378913  -5.244648      2.177373  -0.8924547     1.781742  129.7205 65.69051 159.0713 76.36099 -29.35078      100.7286 
1 1 1 17  19 4  o 302.0075 80.46152 5.019467       1.745676  5.475654       2.240548  4.314750       2.784778  333.5457 112.2041 270.4693 115.3536 63.07645       160.9230 
1 1 1 17  19 5  o 254.5751 76.20972 3.399822       1.703375  4.593843       2.544461  2.430150       2.292989  279.8228 114.0240 229.3274 101.1445 50.49539       152.4194 
1 1 1 17  19 6  o 208.1738 68.38258 1.607805       1.775552  0.5169291      2.674649  2.467325       2.374145  192.6685 92.75694 223.6790 100.5030 -31.01054      136.7652 
1 1 1 17  19 7  o 227.6879 73.27168 3.057309       2.192624  5.513349       2.694109  -1.760911      3.773469  275.8275 115.3238 179.5484 90.41780 96.27911       146.5434 
1 1 1 17  20 0  o 215.3779 67.94324 1.128257       1.499325  -0.4192771     1.909229  3.618136       2.421738  169.6289 80.77596 261.1268 109.2720 -91.49783      135.8865 
1 1 1 17  20 1  o 385.8493 77.87337 7.129645       1.665588  8.139970       2.244776  5.892103       2.484405  443.8745 102.0284 327.8241 117.6743 116.0504       155.7467 
1 1 1 17  20 2  o 248.1201 74.03014 3.174897       1.613695  3.604829       2.194530  2.668761       2.381088  262.5518 106.2955 233.6883 103.0685 28.86349       148.0603 
1 1 1 17  20 3  f 193.1982 68.54694 -1.041399      2.317849  -2.072548      2.653193  2.281775       4.763045  165.9999 82.39825 220.3966 109.5685 -54.39671      137.0939 
1 1 1 17  20 4  f 246.0547 73.63169 3.501191       1.920723  -0.2768156     3.382938  5.298427       2.333272  190.7165 94.38007 301.3929 113.0438 -110.6763      147.2634 
1 1 1 17  20 5  o 230.6187 71.95006 2.555366       1.809257  5.701613       2.602350  -0.3881939     2.517130  286.9114 115.8937 174.3259 85.29889 112.5855       143.9001 
1 1 1 17  20 6  o 196.4952 66.01192 1.677827       1.842832  0.1000732      2.780889  2.913177       2.460702  177.5336 87.42561 215.4568 98.92956 -37.92322      132.0238 
1 1 1 17  21 0  o 277.3858 71.18847 3.766385       1.400142  2.115553       1.919514  5.643434       2.046811  216.6541 94.10990 338.1175 106.8388 -121.4634      142.3769 
1 1 1 17  21 1  o 210.2506 71.58749 1.745263       1.889532  4.360655       4.517090  1.190556       2.080282  226.7224 111.6049 193.7788 89.68518 32.94365       143.1750 
1 1 1 17  21 2  o 218.1306 96.51628 1.168857       1.965474  2.437670       2.104458  -7.496348      5.499598  218.1306 96.51628 ?        ?        ?              ?        
1 1 1 17  21 3  o 209.3504 93.25258 2.186932       1.997215  2.186932       1.997215  0.000000       0.000000  209.3504 93.25258 ?        ?        ?              ?        
1 1 1 17  21 4  o 229.2410 101.5791 3.585042       2.339260  3.585042       2.339260  0.000000       0.000000  229.2410 101.5791 ?        ?        ?              ?        
1 1 1 17  22 0  o 253.7816 73.19670 4.177158       1.484620  4.139239       2.056288  4.218448       2.145706  255.0307 103.0182 252.5326 104.0110 2.498169       146.3934 
1 1 1 17  22 1  o 192.5645 66.76049 1.688643       1.848507  1.250385       1.976502  4.747414       5.221625  182.0493 85.30468 203.0796 102.7179 -21.03027      133.5210 
1 1 1 18  0  0  o 269.2606 99.22741 3.042854       2.496411  3.042854       2.496411  3.042854       2.496411  269.2606 140.3288 269.2606 140.3288 0.000000       0.000000 
1 1 1 18  0  1  o 794.5474 48.55156 16.79746       2.714536  16.79746       2.714536  16.79746       2.714536  794.5474 68.66227 794.5474 68.66227 0.000000       0.000000 
1 1 1 18  0  2  o 658.3595 56.70520 11.88448       2.567065  11.88448       2.567065  11.88448       2.567065  658.3595 80.19327 658.3595 80.19327 0.000000       0.000000 
1 1 1 18  0  3  o 271.9574 94.48546 3.088774       2.191152  3.088774       2.191152  3.088774       2.191152  271.9574 133.6226 271.9574 133.6226 0.000000       0.000000 
1 1 1 18  0  4  o 1300.684 47.39050 44.61180       4.386537  44.61180       4.386537  44.61180       4.386537  1300.684 67.02029 1300.684 67.02029 0.000000       0.000000 
1 1 1 18  0  5  o 1022.306 50.43827 27.92802       3.650534  27.92802       3.650534  27.92802       3.650534  1022.306 71.33049 1022.306 71.33049 0.000000       0.000000 
1 1 1 18  0  6  o 287.8817 98.08826 3.574181       2.344463  3.574181       2.344463  3.574181       2.344463  287.8817 138.7177 287.8817 138.7177 0.000000       0.000000 
1 1 1 18  0  7  o 273.7365 110.5571 3.583624       3.408056  3.583624       3.408056  3.583624       3.408056  273.7365 156.3513 273.7365 156.3513 0.000000       0.000000 
1 1 1 18  0  8  o 275.1413 110.0253 3.793716       3.331314  3.793716       3.331314  3.793716       3.331314  275.1413 155.5992 275.1413 155.5992 0.000000       0.000000 
1 1 1 18  0  9  o 209.1595 87.62930 1.924845       2.271859  1.924845       2.271859  1.924845       2.271859  209.1595 123.9265 209.1595 123.9265 0.000000       0.000000 
1 1 1 18  0  10 o 486.3202 129.3752 11.04329       4.212835  11.04329       4.212835  11.04329       4.212835  486.3202 182.9641 486.3202 182.9641 0.000000       0.000000 
1 1 1 18  0  11 o 161.6443 74.26945 0.6478124      2.060261  0.6478124      2.060261  0.6478124      2.060261  161.6443 105.0329 161.6443 105.0329 0.000000       0.000000 
1 1 1 18  0  12 o 360.0571 97.86418 5.681149       2.387589  5.681149       2.387589  5.681149       2.387589  360.0571 138.4008 360.0571 138.4008 0.000000       0.000000 
1 1 1 18  0  13 o 131.0411 64.77190 -1.016314      2.244820  -1.016314      2.244820  -1.016314      2.244820  131.0411 91.60130 131.0411 91.60130 0.000000       0.000000 
1 1 1 18  1  0  f 399.5481 83.63236 4.862419       1.820822  4.347721       2.676110  5.306087       2.484604  379.4709 122.4047 419.6253 113.9937 -40.15433      167.2647 
1 1 1 18  1  1  o 563.9329 65.14586 9.036362       1.790790  8.274358       2.533478  9.797261       2.531641  536.6463 96.81114 591.2195 87.19824 -54.57324      130.2917 
1 1 1 18  1  2  o 349.9600 80.46772 3.634549       1.699961  2.357928       2.503342  4.727065       2.315811  304.6204 116.4347 395.2997 111.0999 -90.67929      160.9354 
1 1 1 18  1  3  o 1215.192 45.00874 39.48845       2.758461  38.58133       3.986794  40.32152       3.820616  1198.763 65.94476 1231.622 61.27345 -32.85925      90.01748 
1 1 1 18  1  4  o 866.0469 52.80519 20.61873       2.288408  21.98474       3.249330  19.27442       3.223420  896.8981 72.17033 835.1956 77.10380 61.70251       105.6104 
1 1 1 18  1  5  o 431.5457 83.95514 5.999788       1.961998  4.236074       2.805697  7.687623       2.744679  364.5430 125.5162 498.5482 111.5328 -134.0052      167.9103 
1 1 1 18  1  6  o 512.2294 82.06474 8.054255       2.040628  6.910902       2.595456  9.905223       3.302347  469.2832 110.9851 555.1755 120.9165 -85.89230      164.1295 
1 1 1 18  1  7  o 405.3545 84.81325 4.435455       1.866156  2.334898       2.234062  9.284830       3.394462  288.2898 110.0416 522.4192 129.0891 -234.1294      169.6265 
1 1 1 18  1  8  o 288.8441 82.77608 2.234146       1.985509  0.1678474      3.374260  3.328522       2.455643  257.9363 117.4504 319.7518 116.6745 -61.81552      165.5522 
1 1 1 18  1  9  o 419.0779 118.5068 6.242769       2.626521  0.000000       0.000000  6.242769       2.626521  ?        ?        419.0779 118.5068 ?              ?        
1 1 1 18  1  10 o 296.0509 84.01866 3.135490       1.947275  3.616248       2.497197  2.389625       3.110425  312.5644 117.0036 279.5374 120.6097 33.02692       168.0373 
1 1 1 18  1  11 o 347.8766 91.27932 4.958552       2.000275  4.402383       2.348991  6.425782       3.815284  336.7632 114.8795 358.9901 141.8815 -22.22699      182.5586 
1 1 1 18  1  12 f 303.0700 79.12247 3.359766       1.696477  1.698365       2.296382  5.355966       2.517150  244.2946 104.4845 361.8454 118.8463 -117.5508      158.2449 
1 1 1 18  1  13 o 216.6279 68.41977 0.8275887      1.561238  -0.4426603E-01 2.340081  1.526980       2.095892  202.1337 94.08830 231.1222 99.36021 -28.98856      136.8395 
1 1 1 18  2  0  o 414.8434 80.43823 5.033608       1.728614  6.358620       2.708137  4.122571       2.245581  457.7531 116.5494 371.9337 110.8940 85.81937       160.8765 
1 1 1 18  2  1  o 841.4584 49.75777 19.08069       2.089315  21.58836       3.016588  16.76864       2.896543  897.3135 66.88347 785.6033 73.68816 111.7103       99.51555 
1 1 1 18  2  2  o 568.0171 66.87727 9.398483       1.813233  11.78833       2.553113  6.966293       2.575632  653.4673 78.75952 482.5668 108.1074 170.9005       133.7545 
1 1 1 18  2  3  o 280.9313 75.02250 1.345363       1.703047  3.744169       2.315287  -1.482643      2.513896  351.8297 113.8923 210.0329 97.68337 141.7968       150.0450 
1 1 1 18  2  4  o 525.0079 76.20090 8.260575       1.951388  7.442396       2.624228  9.272563       2.918533  495.4627 107.6924 554.5532 107.8362 -59.09052      152.4018 
1 1 1 18  2  5  o 889.6511 74.52168 21.88091       3.325576  21.88091       3.325576  0.000000       0.000000  889.6511 74.52168 ?        ?        ?              ?        
1 1 1 18  2  6  o 893.8662 58.65004 22.58367       2.503357  22.33379       3.120811  23.03461       4.192361  901.7872 68.87740 885.9453 94.94846 15.84186       117.3001 
1 1 1 18  2  7  o 527.2866 73.16066 8.326457       1.868715  11.34815       2.909633  6.204958       2.438002  614.1379 96.78561 440.4354 109.7382 173.7025       146.3213 
1 1 1 18  2  8  o 294.4843 86.58360 2.021535       2.026784  3.926339       3.516102  1.073680       2.480318  337.2596 135.2452 251.7088 108.1463 85.55080       173.1672 
1 1 1 18  2  9  o 408.3253 120.4080 6.038728       2.658919  0.000000       0.000000  6.038728       2.658919  ?        ?        408.3253 120.4080 ?              ?        
1 1 1 18  2  10 o 283.2216 83.21725 2.678033       1.965582  2.471972       2.980777  2.836575       2.614588  279.4877 119.2756 286.9554 116.0766 -7.467651      166.4345 
1 1 1 18  2  11 o 253.7378 83.43842 0.9026816      2.590794  -0.4658494E-04 3.559768  1.919388       3.777818  238.6581 112.6508 268.8175 123.1165 -30.15939      166.8768 
1 1 1 18  2  12 o 204.2557 66.68404 -0.2765237     1.680115  0.9529970      2.153474  -2.189096      2.685843  222.4773 98.07661 186.0341 90.37709 36.44322       133.3681 
1 1 1 18  2  13 o 210.6674 67.81821 0.4545416      1.639952  -1.046626      2.677525  1.355787       2.074628  195.6674 93.84367 225.6675 97.93161 -30.00009      135.6364 
1 1 1 18  3  0  o 287.3528 81.47369 0.5092397      1.932060  -1.736054      2.463991  4.093472       3.113154  204.9105 95.77007 369.7951 131.8330 -164.8846      162.9474 
1 1 1 18  3  1  o 475.5152 83.15944 7.087484       1.949412  6.248824       3.298145  7.537793       2.416750  440.5350 135.0625 510.4954 97.05711 -69.96036      166.3189 
1 1 1 18  3  2  o 178.4083 61.40936 -3.275061      1.672773  -4.207231      2.902343  -2.811386      2.046954  191.1292 93.10017 165.6875 80.10490 25.44176       122.8187 
1 1 1 18  3  3  o 467.7558 89.65119 7.027200       2.158196  6.912734       3.386565  7.105480       2.800558  456.9324 136.1709 478.5791 116.6483 -21.64670      179.3024 
1 1 1 18  3  4  o 345.0323 80.34357 3.565140       1.993336  5.921117       2.466966  -0.8661268     3.383309  437.3639 111.1740 252.7008 116.0202 184.6631       160.6871 
1 1 1 18  3  5  o 220.1193 71.24130 -0.8168017     1.661077  -1.283558      2.023252  0.1483437      2.909386  187.3778 87.30910 252.8608 112.5985 -65.48300      142.4826 
1 1 1 18  3  6  o 591.4916 66.17336 10.31646       1.909392  10.48836       2.820659  10.17107       2.594119  592.7307 97.37868 590.2525 89.62727 2.478149       132.3467 
1 1 1 18  3  7  o 473.7991 81.96399 9.212914       2.250793  2.170332       4.553494  11.49002       2.589228  317.7719 141.2205 629.8264 83.24151 -312.0544      163.9280 
1 1 1 18  3  8  o 508.0306 90.18362 9.897940       2.248789  7.716149       4.478970  10.63330       2.600290  420.8672 156.8639 595.1940 89.02846 -174.3268      180.3672 
1 1 1 18  3  9  o 395.4985 88.47845 5.823950       2.001513  7.184097       2.980067  4.706183       2.701522  436.4781 127.1214 354.5189 123.1011 81.95926       176.9569 
1 1 1 18  3  10 o 315.8373 90.61443 3.437474       2.301883  6.648089       3.651897  1.320946       2.965080  378.1355 141.5032 253.5391 113.2287 124.5963       181.2289 
1 1 1 18  3  11 o 309.8980 82.94818 3.664442       1.772232  2.785899       2.307249  4.928690       2.767764  278.3648 110.2332 341.4312 123.9768 -63.06641      165.8964 
1 1 1 18  3  12 o 207.8979 68.52238 0.7035256E-01  1.567873  0.2635672      1.779567  -0.5999020     3.314471  194.2672 87.16919 221.5286 105.7487 -27.26144      137.0448 
1 1 1 18  3  13 o 284.9860 86.51128 1.636180       2.053517  -0.8890049     2.376759  9.072035       4.078534  188.2663 89.78153 381.7056 147.9057 -193.4393      173.0226 
1 1 1 18  4  0  o 352.3755 79.98242 3.515737       1.713642  5.363910       2.492155  1.858178       2.360142  419.4823 114.2552 285.2686 111.9576 134.2136       159.9648 
1 1 1 18  4  1  o 445.3694 90.45290 6.112835       2.141899  4.885571       2.795381  7.857913       3.333338  395.2350 124.8531 495.5039 130.9146 -100.2690      180.9058 
1 1 1 18  4  2  o 363.4352 92.60569 4.024502       2.183619  3.550991       3.044353  4.526244       3.133795  347.6910 129.3770 379.1794 132.5325 -31.48834      185.2114 
1 1 1 18  4  3  o 312.7591 86.93548 2.549474       2.004047  2.893981       2.532535  1.972373       3.277792  319.2689 118.1594 306.2493 127.5518 13.01956       173.8710 
1 1 1 18  4  4  o 243.9837 78.73289 -0.7724659     2.198726  -3.297921      3.735054  0.5667996      2.719947  231.4803 110.9715 256.4870 111.7175 -25.00671      157.4658 
1 1 1 18  4  5  o 291.0259 87.81039 1.384247       2.055736  2.824718       3.955654  0.8512434      2.406195  330.8662 139.1225 251.1855 107.1802 79.68071       175.6208 
1 1 1 18  4  6  o 595.8622 86.80861 11.96360       2.257387  10.67009       4.375758  12.43269       2.635109  531.2896 153.8401 660.4347 80.47462 -129.1451      173.6172 
1 1 1 18  4  7  o 485.4380 84.79031 9.433663       2.335013  3.655871       4.322384  11.81465       2.774731  339.2921 144.1853 631.5839 89.26465 -292.2918      169.5806 
1 1 1 18  4  8  o 266.3871 78.10496 1.500427       1.828747  -0.2195941     2.679855  2.999472       2.501795  228.0217 104.1541 304.7523 116.4193 -76.73061      156.2099 
1 1 1 18  4  9  o 329.2721 85.87586 3.907524       1.927066  5.357640       2.848270  2.683369       2.616965  371.1516 126.5011 287.3926 116.1728 83.75897       171.7517 
1 1 1 18  4  10 o 255.9857 76.49210 1.343621       1.906252  -1.480993      2.854713  3.616652       2.560858  204.3103 97.69890 307.6610 117.7246 -103.3507      152.9842 
1 1 1 18  4  11 o 273.2902 81.41547 2.547972       1.999995  1.098189       2.972343  3.747410       2.703563  243.0008 110.4887 303.5796 119.6083 -60.57878      162.8309 
1 1 1 18  4  12 o 233.7458 75.46382 0.9960400      1.887187  0.9873798      2.266401  1.015622       3.407987  223.9758 99.57935 243.5158 113.4156 -19.54002      150.9276 
1 1 1 18  4  13 o 302.5044 81.38482 4.110416       1.928785  1.756506       2.887653  6.006566       2.591710  240.8235 109.2690 364.1853 120.6410 -123.3618      162.7696 
1 1 1 18  5  0  o 641.8252 80.71275 12.32050       2.360121  12.22588       2.867872  12.51905       4.154330  658.1765 88.29241 625.4739 135.1394 32.70251       161.4255 
1 1 1 18  5  1  o 318.6584 85.27813 2.661308       2.058820  4.130095       2.522320  -0.2707528     3.563751  366.4725 118.9007 270.8444 122.2786 95.62814       170.5563 
1 1 1 18  5  2  o 332.9409 92.10036 3.062990       2.229846  3.380331       2.786690  2.498134       3.717873  338.5070 124.1729 327.3748 136.0551 11.13226       184.2007 
1 1 1 18  5  3  o 457.5869 98.33902 7.127127       2.443685  7.154920       3.065336  7.078664       4.047741  469.3323 126.2498 445.8413 150.8086 23.49100       196.6780 
1 1 1 18  5  4  o 908.5869 54.73024 23.01486       2.485956  25.03027       3.541814  21.05788       3.490103  951.4177 74.11584 865.7560 80.55086 85.66162       109.4605 
1 1 1 18  5  5  o 400.9912 98.43320 5.046037       2.484975  8.606025       4.027946  2.858481       3.157467  482.6868 149.4716 319.2956 128.1196 163.3912       196.8664 
1 1 1 18  5  6  f 282.2829 87.57755 1.249828       2.360031  0.8871512      3.872575  1.464105       2.976657  286.5821 128.5907 277.9838 118.9274 8.598267       175.1551 
1 1 1 18  5  7  o 350.5272 92.44537 4.113513       2.025165  4.790021       4.089713  3.893737       2.331024  359.1370 145.2095 341.9173 114.4500 17.21967       184.8907 
1 1 1 18  5  8  f 278.8045 79.37525 1.999541       1.724946  3.555222       2.700533  0.9274182      2.241877  320.0209 121.2648 237.5881 102.4528 82.43280       158.7505 
1 1 1 18  5  9  o 242.9696 73.27509 0.3950639      1.858538  3.245924       2.468428  -3.336437      2.824062  301.8848 115.5648 184.0543 90.12067 117.8305       146.5502 
1 1 1 18  5  10 o 320.0125 82.13207 3.435235       2.046319  -0.9279506E-01 2.859432  7.138820       2.929711  223.1912 103.9289 416.8339 127.2065 -193.6427      164.2641 
1 1 1 18  5  11 o 351.8114 78.87512 4.712197       2.106612  -0.3726377     3.127589  8.934798       2.850107  221.6631 104.9202 481.9596 117.8002 -260.2965      157.7502 
1 1 1 18  5  12 o 335.2329 86.47110 5.194305       2.042948  3.533345       3.154184  6.394645       2.681386  285.2231 122.2340 385.2426 122.3432 -100.0195      172.9422 
1 1 1 18  5  13 o 350.6190 80.97792 6.557134       2.292946  8.973769       2.707344  0.4253545      4.312520  467.2790 115.1782 233.9590 113.8581 233.3200       161.9558 
1 1 1 18  6  0  o 277.4524 83.49918 1.089055       1.953939  0.8891553      2.388776  1.493208       3.396585  255.5102 107.8101 299.3946 127.5360 -43.88441      166.9984 
1 1 1 18  6  1  o 353.0119 88.94431 3.881456       2.078116  4.785341       2.558581  2.129261       3.562328  390.1787 118.8333 315.8451 132.3745 74.33362       177.8886 
1 1 1 18  6  2  o 281.2819 77.36567 1.587666       1.694804  -0.1109799     2.373497  3.354742       2.420834  228.9405 101.8402 333.6232 116.4919 -104.6827      154.7313 
1 1 1 18  6  3  o 382.0643 86.29996 4.779940       2.430075  -1.662566      4.261428  7.884490       2.958196  266.5011 124.9982 497.6274 119.0217 -231.1263      172.5999 
1 1 1 18  6  4  o 729.6160 84.17851 17.27998       2.686718  15.04792       4.776072  18.31330       3.249647  654.3310 147.6794 804.9010 80.83866 -150.5700      168.3570 
1 1 1 18  6  5  o 812.6077 71.24627 19.59508       2.610053  20.44370       4.726003  19.22265       3.130828  797.6811 120.8073 827.5342 75.56264 -29.85309      142.4925 
1 1 1 18  6  6  o 510.6309 72.33694 8.397127       1.889684  13.61209       2.735316  3.635716       2.613665  688.2280 79.99632 333.0338 120.5451 355.1942       144.6739 
1 1 1 18  6  7  o 445.8517 92.00409 7.126707       2.181202  6.359908       2.845379  8.219447       3.396705  422.4846 124.5513 469.2189 135.4473 -46.73434      184.0082 
1 1 1 18  6  8  o 407.5770 88.29514 6.464917       2.059395  7.194356       2.587924  5.205424       3.400598  456.7485 112.6255 358.4055 136.0133 98.34305       176.5903 
1 1 1 18  6  9  o 275.4621 87.45496 1.846585       2.357853  3.490923       4.242859  1.111866       2.836113  303.5426 135.5114 247.3815 110.5900 56.16106       174.9099 
1 1 1 18  6  10 o 307.7472 90.38004 4.174710       2.487003  1.648914       4.659613  5.180873       2.940932  271.2253 128.2849 344.2690 127.3468 -73.04373      180.7601 
1 1 1 18  6  11 o 244.3533 74.13690 1.481442       1.569806  0.6757903      1.935477  3.030347       2.683656  209.3472 92.59850 279.3595 115.8043 -70.01231      148.2738 
1 1 1 18  6  12 o 317.9183 82.31287 4.273097       1.826846  6.247887       2.670697  2.536561       2.504413  375.6308 122.3712 260.2059 110.1223 115.4249       164.6257 
1 1 1 18  6  13 o 192.5973 91.37799 -0.3125818     2.399754  -0.3125818     2.399754  0.000000       0.000000  192.5973 91.37799 ?        ?        ?              ?        
1 1 1 18  7  0  o 253.4983 73.26151 0.8501969      1.607592  -0.9643335     2.383527  2.364439       2.177387  212.1189 97.38547 294.8777 109.4763 -82.75871      146.5230 
1 1 1 18  7  1  o 397.3023 93.73226 3.839058       2.129081  9.274658       4.097264  1.828423       2.491935  511.8398 149.0534 282.7647 113.6927 229.0751       187.4645 
1 1 1 18  7  2  o 533.5668 91.40057 9.266294       2.300689  9.657705       4.222273  9.101004       2.743797  516.5807 151.5618 550.5529 102.2022 -33.97217      182.8011 
1 1 1 18  7  3  o 492.0784 96.15265 7.641850       2.338814  10.80791       4.218987  6.237246       2.810127  548.5166 148.3512 435.6402 122.3652 112.8764       192.3053 
1 1 1 18  7  4  o 407.7226 96.92189 6.032993       2.460370  4.341271       3.975088  7.083546       3.132502  360.4963 144.0709 454.9489 129.6880 -94.45258      193.8438 
1 1 1 18  7  5  o 420.8419 74.06749 5.740583       1.775109  2.346341       2.526858  9.047727       2.494226  291.6493 115.4025 550.0345 92.87751 -258.3852      148.1350 
1 1 1 18  7  6  o 245.7666 74.10753 0.7970695      1.674880  2.059420       2.395183  -0.4108310     2.342956  277.2616 111.4694 214.2717 97.68454 62.98987       148.2151 
1 1 1 18  7  7  o 228.9408 70.98951 0.1776420      1.651778  -1.429065      2.314301  1.845955       2.358253  192.1788 90.74802 265.7028 109.1918 -73.52391      141.9790 
1 1 1 18  7  8  o 206.5138 69.35664 -1.417480      1.935823  -1.934209      2.562693  -0.7308117     2.954193  191.3704 91.78980 221.6573 104.0000 -30.28690      138.7133 
1 1 1 18  7  9  o 245.1887 73.55543 1.154238       1.729999  3.123023       2.386639  -1.025578      2.511294  291.5652 113.0966 198.8121 94.07845 92.75310       147.1109 
1 1 1 18  7  10 o 312.9640 92.57703 4.166849       2.374274  2.774721       2.968400  6.639162       3.955802  274.8873 118.2129 351.0407 142.5052 -76.15338      185.1541 
1 1 1 18  7  11 o 242.4435 76.97293 0.3208262      1.725743  -1.219294      2.000789  4.795859       3.410532  172.3987 82.25884 312.4883 130.1261 -140.0896      153.9459 
1 1 1 18  7  12 o 201.5399 67.98306 -0.3994529     1.771311  -0.1728316     3.281640  -0.4926225     2.104154  217.9847 104.3738 185.0950 87.13727 32.88965       135.9661 
1 1 1 18  8  0  o 639.3768 95.94945 13.60433       3.010729  12.57531       4.290385  14.60268       4.225974  606.8858 142.1361 671.8677 128.9283 -64.98193      191.8989 
1 1 1 18  8  1  o 398.2642 97.64363 5.457788       2.403066  5.219370       3.639138  5.642133       3.199961  389.4777 142.0466 407.0508 134.0144 -17.57303      195.2873 
1 1 1 18  8  2  o 368.5911 103.9024 4.503383       2.880609  4.849056       4.537456  4.270003       3.728295  376.3741 152.6810 360.8080 140.9658 15.56604       207.8048 
1 1 1 18  8  3  o 665.6353 80.66847 13.25228       2.550039  10.94299       3.183450  17.38719       4.259832  591.8401 110.3036 739.4305 117.7401 -147.5905      161.3369 
1 1 1 18  8  4  o 547.8052 100.1560 10.17547       2.583985  9.212362       3.032785  12.72648       4.935848  533.4205 115.6372 562.1899 163.5631 -28.76935      200.3119 
1 1 1 18  8  5  o 351.8082 88.69127 3.651864       1.893238  6.547665       3.425144  2.377869       2.271843  417.1485 138.7128 286.4678 110.5591 130.6806       177.3825 
1 1 1 18  8  6  o 344.5207 80.30152 3.871704       1.665036  5.569363       2.531507  2.577351       2.210448  400.1452 117.3436 288.8962 109.6531 111.2490       160.6030 
1 1 1 18  8  7  o 188.0274 63.46760 -1.854625      1.675308  -1.009351      2.493289  -2.550375      2.262043  204.0671 95.68177 171.9877 83.41190 32.07942       126.9352 
1 1 1 18  8  8  o 192.3946 64.17131 -1.050710      1.626538  -1.920876      2.582684  -0.4786983     2.093980  190.1998 91.46615 194.5895 90.03205 -4.389725      128.3426 
1 1 1 18  8  9  o 249.7954 77.22906 1.682285       1.857643  1.387701       2.697123  1.948148       2.562271  244.3812 108.6420 255.2095 109.7918 -10.82828      154.4581 
1 1 1 18  8  10 o 328.0499 84.58636 4.656600       1.939039  6.086140       2.653946  3.019691       2.839922  378.6640 121.8709 277.4358 117.3324 101.2282       169.1727 
1 1 1 18  8  11 o 337.4001 82.88061 5.148139       1.846560  5.975762       2.344453  3.795741       2.996938  385.3610 112.9015 289.4391 121.3673 95.92188       165.7612 
1 1 1 18  8  12 o 200.5542 66.28064 0.2576952E-01  1.655659  -0.7568011     2.214409  1.017809       2.493220  182.0879 86.78696 219.0204 100.2024 -36.93250      132.5613 
1 1 1 18  9  0  o 528.7573 98.43438 9.803682       2.797872  6.603924       3.879398  13.27215       4.039004  424.5258 147.5103 632.9888 130.3765 -208.4630      196.8688 
1 1 1 18  9  1  o 242.7593 77.23803 -0.2786728     2.065011  1.139931       2.555450  -2.948203      3.505535  261.3532 110.9582 224.1655 107.4762 37.18774       154.4761 
1 1 1 18  9  2  o 239.9047 78.54336 -0.7692981     2.109793  -0.9701931     2.563618  -0.3476722     3.713918  215.8154 99.77011 263.9940 121.3349 -48.17859      157.0867 
1 1 1 18  9  3  o 229.4351 76.27976 -2.961174      2.178263  -5.528214      2.721828  1.611792       3.632816  165.6454 82.42628 293.2249 128.3757 -127.5795      152.5595 
1 1 1 18  9  4  o 238.0720 77.93175 -1.437357      2.428091  1.220140       2.914246  -7.469847      4.390745  267.1923 116.0105 208.9517 104.0913 58.24052       155.8635 
1 1 1 18  9  5  o 375.3596 96.52001 4.172918       2.159667  2.492541       2.499103  9.129135       4.291963  289.2191 114.6636 461.5000 155.2955 -172.2809      193.0400 
1 1 1 18  9  6  o 270.8638 75.27954 2.042261       1.576874  3.201124       2.209793  0.8399389      2.250848  307.5634 110.9153 234.1643 101.8127 73.39915       150.5591 
1 1 1 18  9  7  o 362.5204 82.26505 4.911852       1.755302  3.806528       2.477155  6.026537       2.487622  319.6562 117.1015 405.3847 115.5742 -85.72855      164.5301 
1 1 1 18  9  8  o 354.7536 84.77413 5.075976       1.809775  5.179198       2.528175  4.967491       2.591827  359.8806 119.1501 349.6266 120.6228 10.25391       169.5483 
1 1 1 18  9  9  o 253.1302 80.31703 1.741988       2.211001  -1.355737      4.469747  2.745512       2.544050  234.2142 114.4043 272.0462 112.7606 -37.83199      160.6341 
1 1 1 18  9  10 o 198.0099 66.36051 -0.6747267     1.782606  -0.4074355     2.476846  -0.9619582     2.567573  200.8469 94.54884 195.1730 93.14176 5.673904       132.7210 
1 1 1 18  9  11 o 185.2358 63.37708 -1.328636      1.761544  -0.6572176     2.107776  -2.883807      3.207871  182.3490 86.25787 188.1225 92.87730 -5.773499      126.7542 
1 1 1 18  9  12 o 211.1488 69.85711 0.6437085      1.895050  -0.5993398     3.053242  1.422629       2.416929  200.8950 97.30350 221.4025 100.2601 -20.50748      139.7142 
1 1 1 18  10 0  o 328.4448 80.88268 3.509335       1.791773  4.626294       2.189057  1.241937       3.118906  380.2786 108.4171 276.6109 120.0573 103.6678       161.7654 
1 1 1 18  10 1  o 354.6321 84.23038 4.117833       1.783946  3.517138       2.399928  4.859607       2.666900  330.6353 115.9574 378.6289 122.2003 -47.99368      168.4608 
1 1 1 18  10 2  o 851.3590 56.80724 20.95872       2.391840  22.65379       3.274454  19.01969       3.502160  897.7437 72.66820 804.9744 87.33604 92.76935       113.6145 
1 1 1 18  10 3  o 269.8026 80.16427 1.514560       1.877438  2.531483       2.727577  0.5989757      2.588106  295.6706 118.9238 243.9345 107.5284 51.73610       160.3285 
1 1 1 18  10 4  o 262.3759 75.87772 0.6595142      1.859064  -2.560581      2.625068  3.899533       2.633177  189.9582 91.55949 334.7936 121.0230 -144.8354      151.7554 
1 1 1 18  10 5  o 256.8248 82.84734 0.6847968      2.099144  0.5511777      2.404113  1.113514       4.306320  232.0405 102.8909 281.6092 129.8776 -49.56868      165.6947 
1 1 1 18  10 6  o 246.1584 71.58976 0.5495118E-01  1.884524  3.855207       2.400508  -6.049205      3.042352  323.9457 115.7350 168.3710 84.29575 155.5747       143.1795 
1 1 1 18  10 7  o 231.0609 73.30887 0.6914561      1.798257  1.550904       2.553100  -0.1546834     2.533256  248.5722 108.2543 213.5496 98.88256 35.02254       146.6177 
1 1 1 18  10 8  o 225.2808 75.39938 -0.8706241E-01 2.130976  0.1976299      3.849276  -0.2128722     2.558871  241.2179 114.8188 209.3436 97.75942 31.87431       150.7988 
1 1 1 18  10 9  o 359.9631 86.57866 6.170421       2.252112  2.611187       3.518828  8.639930       2.931063  266.4451 120.7875 453.4811 124.0719 -187.0360      173.1573 
1 1 1 18  10 10 o 270.5505 81.67091 1.824937       2.071588  6.516125       3.359911  -1.052095      2.631230  347.5486 134.3631 193.5524 92.88218 153.9962       163.3418 
1 1 1 18  10 11 o 180.4792 86.08791 -0.7726519     2.187873  -0.7726519     2.187873  0.000000       0.000000  180.4792 86.08791 ?        ?        ?              ?        
1 1 1 18  11 0  o 343.1461 89.89891 3.905475       2.048806  4.912222       3.209474  3.213054       2.661699  369.0215 133.5787 317.2707 120.3495 51.75076       179.7978 
1 1 1 18  11 1  o 393.7731 93.06722 3.901050       2.081723  10.70997       4.187831  1.666413       2.399129  521.8456 150.3256 265.7007 109.7645 256.1449       186.1344 
1 1 1 18  11 2  o 449.1068 115.2555 9.071077       3.358012  8.153432       4.457097  10.27576       5.106828  431.3954 157.2221 466.8181 168.5721 -35.42264      230.5110 
1 1 1 18  11 3  o 263.7392 84.06798 -0.4817359     2.106478  4.426363       4.091495  -2.251899      2.457152  341.1716 142.3366 186.3069 89.49855 154.8647       168.1360 
1 1 1 18  11 4  o 232.2761 76.18972 -0.3005841     2.100391  -0.9441230     3.481949  0.6753609E-01  2.633479  236.2357 111.4787 228.3165 103.8846 7.919266       152.3794 
1 1 1 18  11 5  o 246.4658 72.98346 1.430537       1.595852  0.1296375      2.478415  2.351906       2.085782  221.4067 100.7557 271.5249 105.6155 -50.11816      145.9669 
1 1 1 18  11 6  o 273.1171 84.44068 2.359261       2.201033  2.800756       2.637783  1.347200       3.993739  281.3111 115.5295 264.9231 123.1822 16.38800       168.8814 
1 1 1 18  11 7  o 270.3785 85.83617 2.403805       2.515973  0.7932218      3.882164  3.570159       3.303675  249.2973 117.6632 291.4598 125.0070 -42.16257      171.6723 
1 1 1 18  11 8  o 274.3810 83.89352 2.849756       2.060738  2.026876       2.579865  4.300311       3.425277  250.0790 108.8667 298.6830 127.6735 -48.60396      167.7870 
1 1 1 18  11 9  o 312.6025 94.01034 4.201706       2.441340  1.799755       2.926461  9.699328       4.427393  244.4899 110.5545 380.7151 152.0838 -136.2251      188.0207 
1 1 1 18  11 10 o 177.9481 87.99162 -2.967142      2.919117  -2.967142      2.919117  0.000000       0.000000  177.9481 87.99162 ?        ?        ?              ?        
1 1 1 18  11 11 o 361.7939 83.20484 6.246921       1.851058  4.188851       2.499071  8.748503       2.755217  287.9995 114.5102 435.5883 120.7460 -147.5888      166.4097 
1 1 1 18  12 0  o 240.5027 77.84563 -0.5799657E-01 2.118262  -1.482437      3.609957  0.6900082      2.615965  236.9301 112.3134 244.0753 107.8214 -7.145142      155.6913 
1 1 1 18  12 1  o 289.4889 86.99970 2.333953       2.185780  1.106110       4.121445  2.814446       2.578229  281.7802 128.8845 297.1975 116.8956 -15.41727      173.9994 
1 1 1 18  12 2  f 349.4163 84.48576 4.405302       2.236140  -0.1845723     3.610713  7.260980       2.848047  250.6294 116.7326 448.2032 122.1675 -197.5738      168.9715 
1 1 1 18  12 3  o 404.9482 99.64512 6.239396       2.263652  9.410411       4.492466  5.160333       2.620650  439.0228 158.1702 370.8737 121.2386 68.14905       199.2902 
1 1 1 18  12 4  o 289.2623 88.69487 2.118060       2.192784  5.393205       4.081911  0.7895380      2.599756  341.7917 142.3464 236.7329 105.8518 105.0589       177.3897 
1 1 1 18  12 5  o 372.5472 89.55579 6.183958       2.144178  4.712640       3.778749  6.882653       2.603987  320.3377 135.4029 424.7566 117.2477 -104.4189      179.1116 
1 1 1 18  12 6  o 375.4351 98.77636 7.022183       2.630774  9.998251       3.886012  4.504211       3.574441  442.3678 147.7743 308.5023 131.1100 133.8654       197.5527 
1 1 1 18  12 7  o 251.2769 79.52274 1.947846       2.017536  1.803459       2.494474  2.220958       3.430712  243.7086 106.5456 258.8451 118.0826 -15.13643      159.0455 
1 1 1 18  12 8  o 228.4745 75.72708 0.7511986      2.187885  0.9687718      2.811275  0.4170051      3.484172  227.5882 104.9544 229.3607 109.1922 -1.772583      151.4542 
1 1 1 18  12 9  o 271.8412 85.28075 3.403159       2.233611  3.059923       2.657126  4.229892       4.123806  265.9235 113.0286 277.7590 127.7331 -11.83557      170.5615 
1 1 1 18  12 10 o 199.0168 67.88055 -0.7408572     2.094017  0.7748066      2.820403  -2.602616      3.125874  215.2116 101.1810 182.8220 90.51782 32.38953       135.7611 
1 1 1 18  12 11 o 190.0761 66.90234 -1.497092      2.103702  1.091683       4.039927  -2.460216      2.464152  218.8493 107.2900 161.3029 79.95337 57.54648       133.8047 
1 1 1 18  13 0  o 239.5345 73.25143 0.1120058      1.985712  -6.789602      3.756011  2.789289       2.339369  188.3761 94.21511 290.6930 112.1900 -102.3169      146.5029 
1 1 1 18  13 1  o 322.7781 86.10319 3.917188       2.093673  1.685462       3.380412  5.306040       2.666719  271.9921 121.2257 373.5641 122.3085 -101.5719      172.2064 
1 1 1 18  13 2  f 298.6601 86.91277 3.138808       2.363344  -0.5644918     4.303030  4.738447       2.828075  252.3416 120.4669 344.9785 125.3118 -92.63693      173.8255 
1 1 1 18  13 3  f 315.7972 87.17475 4.205163       2.206134  5.067540       2.454384  0.5774196      5.033988  362.3091 117.2614 269.2853 129.0252 93.02380       174.3495 
1 1 1 18  13 4  o 295.4656 89.98164 3.280141       2.213810  2.667706       2.567331  5.055942       4.371685  273.8590 113.3743 317.0722 139.7607 -43.21320      179.9633 
1 1 1 18  13 5  o 225.8634 76.25877 -0.3799323     2.443790  0.2007785E-06  3.410210  -0.7809980     3.503770  229.7046 108.9680 222.0221 106.7125 7.682495       152.5175 
1 1 1 18  13 6  o 259.6608 78.28208 2.403090       2.040817  -1.223074      3.835542  3.835111       2.410337  219.5515 106.9626 299.7701 114.3299 -80.21854      156.5642 
1 1 1 18  13 7  o 198.6431 69.05043 -1.811287      2.009588  0.4120134      3.864055  -2.635587      2.352811  232.7871 111.9298 164.4991 80.89235 68.28804       138.1009 
1 1 1 18  13 8  o 270.9976 80.88751 0.8485368      1.977648  -2.494241      2.381497  8.275066       3.549680  165.7117 81.46807 376.2835 139.7645 -210.5717      161.7750 
1 1 1 18  13 9  o 178.3299 86.90502 -1.574641      2.537127  -1.574641      2.537127  0.000000       0.000000  178.3299 86.90502 ?        ?        ?              ?        
1 1 1 18  13 10 o 211.2348 71.10364 0.7968287      2.161922  -2.935473      4.526649  1.899745       2.460706  198.1922 99.70544 224.2774 101.3989 -26.08522      142.2073 
1 1 1 18  14 0  f 395.6955 85.98542 5.243526       2.056295  2.148448       2.553383  10.95486       3.468559  265.2601 111.6684 526.1310 130.7828 -260.8709      171.9708 
1 1 1 18  14 1  o 291.8967 84.07761 3.253922       2.017257  3.873467       2.382880  1.686824       3.789777  316.8347 115.0359 266.9587 122.6496 49.87604       168.1552 
1 1 1 18  14 2  o 186.9527 63.59881 -1.976269      1.743008  -3.336073      2.320818  -0.2169064     2.639858  160.5790 79.22720 213.3265 99.51022 -52.74744      127.1976 
1 1 1 18  14 3  o 208.9214 68.91528 -1.048712      1.885100  -3.810197      2.629374  1.871883       2.704062  166.5414 82.55720 251.3015 110.3702 -84.76007      137.8306 
1 1 1 18  14 4  o 280.0213 81.19630 3.236928       2.054823  0.4010169      3.650825  4.551857       2.485971  235.5881 112.0475 324.4545 117.5445 -88.86636      162.3926 
1 1 1 18  14 5  o 193.0629 66.70625 -1.650255      2.021125  -0.7156889     2.304261  -4.767529      4.208374  188.5239 89.47345 197.6019 98.96158 -9.077911      133.4125 
1 1 1 18  14 6  o 314.1697 79.55899 4.219433       1.754992  6.502520       2.540982  2.136892       2.426818  383.9816 118.6873 244.3578 105.9804 139.6238       159.1180 
1 1 1 18  14 7  o 316.0007 91.65204 5.568116       2.260308  6.931738       4.308852  5.050421       2.654920  312.4355 138.1813 319.5660 120.4422 -7.130524      183.3041 
1 1 1 18  14 8  o 243.6855 80.87815 2.020773       2.297015  4.697143       4.234194  0.9046546      2.734343  271.4603 126.4264 215.9107 100.9032 55.54962       161.7563 
1 1 1 18  14 9  o 272.7684 86.19034 4.507926       2.345391  3.124328       2.947678  6.895349       3.872041  247.3501 111.4825 298.1867 131.4791 -50.83665      172.3807 
1 1 1 18  15 0  o 636.1425 66.92590 13.62914       2.081767  14.16571       2.889645  13.05015       3.001677  657.8836 89.04671 614.4014 99.93493 43.48224       133.8518 
1 1 1 18  15 1  o 246.2031 76.06219 1.819778       1.795126  1.790721       2.516998  1.849859       2.560957  245.2980 107.1386 247.1083 107.9960 -1.810287      152.1244 
1 1 1 18  15 2  o 272.5712 78.99542 2.717297       1.893838  4.679025       2.611943  0.5427606      2.749968  323.2014 119.9215 221.9410 102.8588 101.2604       157.9908 
1 1 1 18  15 3  o 207.2447 68.82829 -0.5804874E-01 1.834177  0.5190994      2.671476  -0.5727211     2.522744  217.5732 101.0264 196.9162 93.50400 20.65695       137.6566 
1 1 1 18  15 4  o 232.8020 74.25855 1.293199       1.885232  -0.1121264     2.586216  2.886692       2.753922  203.4211 96.01848 262.1830 113.3039 -58.76187      148.5171 
1 1 1 18  15 5  o 179.8910 61.21109 -1.050283      1.609027  -1.223599      2.582464  -0.9403090     2.057118  186.0419 89.95302 173.7401 83.04002 12.30179       122.4222 
1 1 1 18  15 6  o 167.0226 57.38601 -1.826655      1.444186  0.1196990      2.321251  -3.055851      1.844683  197.1899 92.41396 136.8552 68.06082 60.33470       114.7720 
1 1 1 18  15 7  o 180.5369 62.64415 -1.964263      1.960386  -0.4835333     2.809151  -3.369970      2.737062  196.1515 94.58636 164.9223 82.16191 31.22919       125.2883 
1 1 1 18  15 8  o 250.1631 82.77029 3.249168       2.434470  6.316053       4.274271  1.776535       2.961833  276.9947 128.3248 223.3315 104.5773 53.66321       165.5406 
1 1 1 18  15 9  o 199.6079 94.10317 1.006333       2.470142  0.000000       0.000000  1.006333       2.470142  ?        ?        199.6079 94.10317 ?              ?        
1 1 1 18  16 0  o 400.4719 81.10854 6.534337       1.776320  4.725357       2.350415  8.943607       2.712504  328.7685 114.7857 472.1754 114.6238 -143.4069      162.2171 
1 1 1 18  16 1  o 419.9346 97.84608 8.754442       2.262005  11.82749       4.633160  7.792717       2.591902  406.9284 157.6522 432.9409 115.9362 -26.01254      195.6922 
1 1 1 18  16 2  o 225.0417 71.93415 1.298584       1.755662  1.692276       2.471736  0.8977103      2.494179  232.8610 103.7318 217.2224 99.68858 15.63857       143.8683 
1 1 1 18  16 3  o 245.4393 75.29934 1.870682       1.815022  -0.1283660     2.447715  4.312459       2.705217  197.0610 93.13670 293.8176 118.3449 -96.75656      150.5987 
1 1 1 18  16 4  o 205.4746 67.22968 0.2011522      1.673434  -1.393170      2.253314  2.161898       2.498874  172.1798 83.44449 238.7694 105.4340 -66.58961      134.4594 
1 1 1 18  16 5  o 271.9702 79.66973 3.448614       1.810037  5.024540       2.735535  2.221327       2.414057  306.2403 120.4227 237.7000 104.3428 68.54036       159.3395 
1 1 1 18  16 6  o 212.6038 69.83621 1.054903       1.829762  1.750434       2.490699  0.2394191      2.696936  223.9575 101.5643 201.2501 95.88055 22.70741       139.6724 
1 1 1 18  16 7  o 274.5944 83.69763 4.093856       2.052197  2.155842       2.558424  7.590811       3.436680  226.3369 102.7558 322.8518 132.1455 -96.51494      167.3953 
1 1 1 18  16 8  f 166.2946 58.35815 -1.842099      1.836800  -3.806555      3.373735  -1.014484      2.189797  167.5810 84.52804 165.0081 80.48419 2.572906       116.7163 
1 1 1 18  17 0  o 152.9015 53.38391 -2.632215      1.497436  -2.817783      2.082859  -2.433693      2.154337  149.4258 73.96608 156.3772 76.99601 -6.951416      106.7678 
1 1 1 18  17 1  o 366.5291 76.66303 6.064779       1.790848  3.007548       2.568540  8.956868       2.498206  257.6438 110.3564 475.4144 106.4441 -217.7706      153.3261 
1 1 1 18  17 2  o 215.9524 70.93052 1.034546       1.868587  1.377344       2.630451  0.6853501      2.654880  221.6025 101.9483 210.3023 98.64629 11.30014       141.8610 
1 1 1 18  17 3  o 186.9266 63.87979 -0.8946806     1.849522  0.4826606E-01  2.565420  -1.915220      2.668885  197.7567 94.01681 176.0964 86.50636 21.66029       127.7596 
1 1 1 18  17 4  o 211.5644 69.02971 1.140056       1.697666  1.037869       2.182109  1.296750       2.702117  206.2673 94.12704 216.8615 100.9975 -10.59421      138.0594 
1 1 1 18  17 5  o 202.5798 67.93568 0.4905363      1.871913  1.687420       2.732896  -0.5672966     2.569246  219.9559 102.1488 185.2037 89.59151 34.75214       135.8714 
1 1 1 18  17 6  o 236.1049 75.14785 2.224632       1.995536  5.554856       2.949462  -0.5866960     2.709954  288.2515 120.6045 183.9582 89.68480 104.2933       150.2957 
1 1 1 18  17 7  o 271.7866 83.23432 5.399880       2.081335  6.416093       3.547680  4.866544       2.570113  269.6817 121.8553 273.8914 113.4156 -4.209717      166.4686 
1 1 1 18  18 0  o 198.6372 65.26926 0.5066835      1.605306  1.267300       2.195794  -0.3666117     2.352823  211.5835 95.71115 185.6909 88.76759 25.89264       130.5385 
1 1 1 18  18 1  o 272.1791 78.05961 3.763088       1.747634  4.699528       2.366666  2.640110       2.591687  303.4166 113.8407 240.9417 106.8340 62.47493       156.1192 
1 1 1 18  18 2  o 313.7515 79.19023 4.641854       1.897518  1.178157       2.569238  8.798384       2.814491  211.0332 98.34989 416.4698 124.1437 -205.4365      158.3805 
1 1 1 18  18 3  o 246.6926 76.34885 2.917979       1.820889  1.598907       2.415602  4.653870       2.771100  214.9322 98.44144 278.4529 116.7299 -63.52068      152.6977 
1 1 1 18  18 4  o 224.4542 72.94888 2.283049       1.979087  3.088045       2.447122  0.7610514      3.364850  242.5089 105.7882 206.3994 100.4739 36.10951       145.8978 
1 1 1 18  18 5  o 190.3741 64.29087 0.5308653      1.742262  0.4712905E-01  2.482854  1.000129       2.445432  183.8402 88.71668 196.9079 93.07317 -13.06776      128.5817 
1 1 1 18  18 6  o 231.7396 74.12467 3.620043       2.010750  2.065192       4.033637  4.134183       2.319492  206.8086 102.4707 256.6707 107.1336 -49.86212      148.2493 
1 1 1 18  19 0  o 172.7451 59.19398 -0.7674158     1.579383  -1.097558      2.089651  -0.3275436     2.412049  163.6265 79.54351 181.8637 87.68433 -18.23720      118.3880 
1 1 1 18  19 1  o 197.4908 64.77264 0.2214279      1.591146  -2.011006      2.119326  3.105375       2.408808  152.7338 75.42159 242.2478 105.3260 -89.51395      129.5453 
1 1 1 18  19 2  o 200.0127 67.60683 0.7057585      1.837321  -0.4655785     2.324733  2.654918       2.998858  175.2337 84.88218 224.7917 105.2509 -49.55800      135.2137 
1 1 1 18  19 3  o 338.7031 87.95727 7.428194       2.167111  4.031835       2.828113  12.25898       3.372866  245.6120 110.0708 431.7942 137.2237 -186.1822      175.9145 
1 1 1 18  19 4  o 365.0716 125.3758 8.690527       2.798552  8.690527       2.798552  0.000000       0.000000  365.0716 125.3758 ?        ?        ?              ?        
1 1 1 18  20 0  o 190.3826 63.35738 0.8865251      1.678873  2.017952       2.026859  -1.586491      2.996565  209.4537 93.57276 171.3115 85.44455 38.14218       126.7148 
1 1 1 18  20 1  o 230.1841 73.60213 3.500196       1.870270  3.713986       2.328879  3.111876       3.138695  242.6423 104.5276 217.7258 103.6488 24.91647       147.2043 
1 1 1 18  20 2  o 188.6001 91.56522 1.016422       2.745207  1.016422       2.745207  0.000000       0.000000  188.6001 91.56522 ?        ?        ?              ?        
1 1 1 19  0  0  o 500.2827 94.75175 8.252426       2.932813  8.252426       2.932813  8.252426       2.932813  500.2827 133.9992 500.2827 133.9992 0.000000       0.000000 
1 1 1 19  0  1  o 214.9059 87.03759 1.856755       2.120179  1.856755       2.120179  1.856755       2.120179  214.9059 123.0897 214.9059 123.0897 0.000000       0.000000 
1 1 1 19  0  2  f 242.8745 96.18029 2.550766       2.512578  2.550766       2.512578  2.550766       2.512578  242.8745 136.0195 242.8745 136.0195 0.000000       0.000000 
1 1 1 19  0  3  o 774.7966 53.30615 16.39359       2.892811  16.39359       2.892811  16.39359       2.892811  774.7966 75.38628 774.7966 75.38628 0.000000       0.000000 
1 1 1 19  0  4  o 818.4042 86.86291 20.29791       4.751686  20.29791       4.751686  20.29791       4.751686  818.4042 122.8427 818.4042 122.8427 0.000000       0.000000 
1 1 1 19  0  5  o 425.7817 131.8232 8.493754       4.189817  8.493754       4.189817  8.493754       4.189817  425.7817 186.4261 425.7817 186.4261 0.000000       0.000000 
1 1 1 19  0  6  o 149.0999 72.43040 -1.021367      2.512601  -1.021367      2.512601  -1.021367      2.512601  149.0999 102.4320 149.0999 102.4320 0.000000       0.000000 
1 1 1 19  0  7  o 565.5447 126.7591 13.11358       4.515692  13.11358       4.515692  13.11358       4.515692  565.5447 179.2644 565.5447 179.2644 0.000000       0.000000 
1 1 1 19  0  8  o 212.5056 97.94093 1.782466       3.621401  1.782466       3.621401  1.782466       3.621401  212.5056 138.5094 212.5056 138.5094 0.000000       0.000000 
1 1 1 19  0  9  o 139.7186 70.74618 -3.222786      3.284449  -3.222786      3.284449  -3.222786      3.284449  139.7186 100.0502 139.7186 100.0502 0.000000       0.000000 
1 1 1 19  0  10 o 132.7376 65.99684 -1.530898      2.434134  -1.530898      2.434134  -1.530898      2.434134  132.7376 93.33363 132.7376 93.33363 0.000000       0.000000 
1 1 1 19  0  11 o 370.7200 120.3030 7.870253       3.492948  7.870253       3.492948  7.870253       3.492948  370.7200 170.1342 370.7200 170.1342 0.000000       0.000000 
1 1 1 19  0  12 o 277.2193 102.2113 4.746894       2.649807  4.746894       2.649807  4.746894       2.649807  277.2193 144.5486 277.2193 144.5486 0.000000       0.000000 
1 1 1 19  1  0  o 505.8018 91.19822 8.915233       2.403803  10.43162       3.027462  6.328450       3.954153  588.6169 105.4664 422.9868 148.8130 165.6301       182.3964 
1 1 1 19  1  1  o 524.2682 84.01359 8.377379       2.100346  7.451477       2.595433  10.13432       3.575247  493.0406 107.0476 555.4959 129.5142 -62.45529      168.0272 
1 1 1 19  1  2  o 347.2384 87.09033 3.891144       1.944150  4.465943       2.367738  2.701643       3.406104  374.3130 114.3834 320.1638 131.3596 54.14917       174.1807 
1 1 1 19  1  3  o 336.5763 91.42578 3.431474       2.099676  3.181597       2.562950  3.941467       3.661491  322.5454 118.9671 350.6071 138.8579 -28.06177      182.8516 
1 1 1 19  1  4  o 332.2950 87.37566 3.257160       2.277169  5.685904       2.925260  -0.4781742     3.627759  405.7135 127.6669 258.8766 119.3280 146.8369       174.7513 
1 1 1 19  1  5  o 427.6248 130.9602 6.567035       3.101811  0.000000       0.000000  6.567035       3.101811  ?        ?        427.6248 130.9602 ?              ?        
1 1 1 19  1  6  o 169.3804 82.19121 -2.707974      2.204192  0.000000       0.000000  -2.707974      2.204192  ?        ?        169.3804 82.19121 ?              ?        
1 1 1 19  1  7  f 310.4201 112.2257 3.332428       2.264372  0.000000       0.000000  3.332428       2.264372  ?        ?        310.4201 112.2257 ?              ?        
1 1 1 19  1  8  o 316.1637 81.93115 3.296715       2.138283  6.648598       2.840416  -1.087419      3.248475  410.2604 125.2646 222.0671 105.6392 188.1933       163.8623 
1 1 1 19  1  9  o 283.3470 86.97256 2.929369       2.292684  3.093887       2.851777  2.628707       3.855206  286.7034 119.1560 279.9905 126.7232 6.712860       173.9451 
1 1 1 19  1  10 o 376.7636 90.41209 6.668952       2.184258  5.364269       3.826184  7.299695       2.660357  324.1135 136.5835 429.4137 118.5004 -105.3002      180.8242 
1 1 1 19  1  11 o 358.2531 87.87846 5.935204       2.013734  6.765194       2.694830  4.885708       3.030296  397.1026 122.1425 319.4035 126.3792 77.69913       175.7569 
1 1 1 19  1  12 o 486.5983 76.68951 8.994990       1.844753  6.776585       2.401086  12.19108       2.882018  402.6219 113.1160 570.5747 103.5852 -167.9528      153.3790 
1 1 1 19  2  0  o 285.8090 82.46598 1.300481       2.127618  3.494790       2.701430  -2.284228      3.452803  338.2328 122.5331 233.3852 110.4002 104.8476       164.9320 
1 1 1 19  2  1  o 851.2083 61.69928 20.15067       2.514177  18.74571       3.107098  22.81523       4.278926  821.0786 75.59476 881.3379 97.53274 -60.25928      123.3986 
1 1 1 19  2  2  o 575.2878 81.68622 10.24839       2.160621  9.923767       2.616162  10.94482       3.831877  582.1494 91.80840 568.4264 135.1361 13.72296       163.3724 
1 1 1 19  2  3  o 383.6188 92.87375 4.364067       2.097222  2.836658       2.542988  7.611941       3.708227  310.3251 117.6543 456.9124 143.7345 -146.5873      185.7475 
1 1 1 19  2  4  o 316.9701 83.39365 2.724635       1.888143  4.977582       2.836715  0.9325381      2.530003  380.6787 126.2199 253.2615 109.0255 127.4172       166.7873 
1 1 1 19  2  5  o 241.8732 79.70676 -0.5242590     2.166394  -1.472075      4.274744  -0.1966969     2.513014  258.3649 122.3996 225.3815 102.1323 32.98341       159.4135 
1 1 1 19  2  6  o 312.1427 90.93694 2.885540       2.046935  4.133003       4.313096  2.522892       2.325510  336.8562 143.6105 287.4292 111.5981 49.42700       181.8739 
1 1 1 19  2  7  o 284.7013 84.41522 2.480061       2.050366  1.796109       3.404279  2.869403       2.568490  276.0534 122.4205 293.3491 116.2624 -17.29568      168.8304 
1 1 1 19  2  8  o 302.2359 88.84249 3.401217       2.172651  3.998010       3.688962  3.084262       2.688384  312.1559 132.9405 292.3158 117.8931 19.84009       177.6850 
1 1 1 19  2  9  o 258.2084 83.13538 1.507080       2.292861  0.9740182      2.852610  2.480086       3.853995  239.6371 108.6819 276.7797 125.8340 -37.14258      166.2708 
1 1 1 19  2  10 o 296.5020 86.92533 3.657824       2.435934  5.716221       3.045151  0.9001865E-05  4.059337  351.3287 129.6580 241.6752 115.8139 109.6535       173.8507 
1 1 1 19  2  11 o 702.8427 70.31715 17.27659       2.415016  15.29204       3.347708  19.43004       3.487262  649.1017 105.4935 756.5836 93.00064 -107.4819      140.6343 
1 1 1 19  2  12 o 319.9154 85.06027 4.673559       1.915586  2.765476       2.471793  7.542745       3.031049  257.1116 109.1404 382.7191 130.4966 -125.6075      170.1205 
1 1 1 19  3  0  o 310.7722 95.15777 1.681947       2.793723  0.4433121      4.003842  2.857192       3.900044  289.1411 130.1596 332.4034 138.8470 -43.26221      190.3155 
1 1 1 19  3  1  o 518.3730 82.20193 8.495484       2.062353  8.584533       3.322988  8.439694       2.630210  508.1333 128.9555 528.6127 101.9760 -20.47940      164.4039 
1 1 1 19  3  2  o 645.6511 61.97605 11.96968       1.957829  12.84386       2.995939  11.31810       2.586533  662.4999 91.78912 628.8024 83.29995 33.69757       123.9521 
1 1 1 19  3  3  o 487.4774 96.74958 8.609034       2.401993  7.871470       4.675691  8.873468       2.799662  441.2648 160.9990 533.6899 107.3371 -92.42517      193.4992 
1 1 1 19  3  4  o 357.3657 92.35616 2.467218       2.196907  9.158140       4.167434  -0.1077581     2.585309  483.3278 152.4197 231.4036 104.3401 251.9242       184.7123 
1 1 1 19  3  5  o 256.9989 81.83361 0.6761431      1.860717  0.8034366      4.244695  0.6458636      2.070228  285.8978 130.7787 228.1001 98.40676 57.79773       163.6672 
1 1 1 19  3  6  o 197.5013 65.27029 -1.382465      1.621444  -2.629045      2.170098  0.1930025      2.439630  168.1047 81.56779 226.8978 101.9193 -58.79315      130.5406 
1 1 1 19  3  7  o 296.6728 79.19512 2.753739       1.847166  0.1453863      2.762519  4.862945       2.484171  231.1015 105.6337 362.2440 118.0211 -131.1425      158.3902 
1 1 1 19  3  8  o 193.2887 66.83087 -2.646305      2.052013  -3.695743      3.644815  -2.159313      2.482894  203.8883 100.3428 182.6892 88.29939 21.19905       133.6617 
1 1 1 19  3  9  o 281.1802 83.10291 2.813632       1.997197  4.125766       2.951996  1.706057       2.712148  311.1970 124.2275 251.1634 110.4169 60.03357       166.2058 
1 1 1 19  3  10 o 434.4443 98.67283 7.937434       2.565385  4.195395       3.143257  15.40276       4.439665  305.0771 125.7979 563.8116 152.0533 -258.7345      197.3457 
1 1 1 19  3  11 o 313.4097 83.86184 4.379966       1.857262  3.472392       2.619089  5.297978       2.634106  284.5355 115.7847 342.2840 121.3472 -57.74850      167.7237 
1 1 1 19  3  12 o 322.7878 77.90719 4.923469       1.915373  7.424231       2.482871  1.247805       3.010135  418.2426 114.0940 227.3329 106.1163 190.9097       155.8144 
1 1 1 19  4  0  o 225.8424 76.39354 -2.869759      2.426400  -2.315975      3.749155  -3.268884      3.182864  241.6539 114.5252 210.0309 101.1330 31.62299       152.7871 
1 1 1 19  4  1  o 618.9803 103.7083 13.47788       3.191828  14.25226       4.720887  12.82583       4.331997  631.7986 149.8575 606.1619 143.4029 25.63672       207.4167 
1 1 1 19  4  2  o 559.2363 111.3905 11.91480       3.284311  11.88713       4.863656  11.93799       4.452910  549.8438 163.0343 568.6287 151.8260 -18.78491      222.7809 
1 1 1 19  4  3  o 321.2851 95.77111 2.625708       2.478727  3.966100       4.517466  2.048322       2.964913  350.9588 148.1805 291.6114 121.3712 59.34747       191.5422 
1 1 1 19  4  4  o 242.8450 78.15965 -0.5605620     2.254626  -5.802367      4.289016  1.441032       2.650362  218.6168 107.8330 267.0733 113.1714 -48.45653      156.3193 
1 1 1 19  4  5  o 397.0236 87.95957 5.548853       1.980293  6.837909       2.950282  4.491876       2.671533  437.0354 126.2551 357.0117 122.5038 80.02365       175.9191 
1 1 1 19  4  6  o 377.0244 84.68262 5.126148       1.807798  5.366670       2.727421  4.937676       2.414338  380.7518 123.6456 373.2970 115.7425 7.454834       169.3652 
1 1 1 19  4  7  o 564.5223 72.53286 10.63539       1.974666  8.392448       2.789705  12.88766       2.795502  485.2476 115.2660 643.7971 88.07847 -158.5495      145.0657 
1 1 1 19  4  8  o 381.7625 86.70164 5.954876       1.925653  5.387694       2.978396  6.362257       2.524188  354.1242 128.6043 409.4008 116.3169 -55.27661      173.4033 
1 1 1 19  4  9  o 374.7819 93.44968 6.275713       2.320623  9.187406       3.475531  3.933280       3.117325  447.1285 138.9074 302.4352 125.0445 144.6934       186.8994 
1 1 1 19  4  10 o 190.0748 64.50356 -1.509524      1.831947  -3.413234      2.949349  -0.3136892     2.337553  180.3819 89.05579 199.7677 93.33755 -19.38583      129.0071 
1 1 1 19  4  11 o 288.3644 85.46011 3.800376       2.028277  3.742877       2.327537  3.981843       4.134904  295.8226 112.4627 280.9063 128.7084 14.91626       170.9202 
1 1 1 19  4  12 o 281.8529 80.45293 3.760450       1.728261  3.383683       2.156563  4.436796       2.889418  275.4100 107.3188 288.2958 119.8890 -12.88583      160.9059 
1 1 1 19  5  0  o 431.8688 89.82384 6.639355       2.127912  4.811871       3.993732  7.363828       2.514569  374.4176 146.0040 489.3200 104.6715 -114.9024      179.6477 
1 1 1 19  5  1  o 375.0189 95.80994 4.436410       2.198217  6.402410       3.942929  3.549762       2.647908  415.1023 148.3252 334.9355 121.3170 80.16675       191.6199 
1 1 1 19  5  2  o 450.8310 95.00430 7.576865       2.369920  5.835326       4.452353  8.265359       2.799453  391.9768 153.7931 509.6852 111.5838 -117.7084      190.0086 
1 1 1 19  5  3  o 486.7349 111.8888 9.699594       3.184603  8.894179       4.677993  10.39525       4.347558  459.5477 161.8415 513.9221 154.5436 -54.37436      223.7776 
1 1 1 19  5  4  o 621.4305 90.19203 13.15438       2.661964  12.76280       3.352748  13.82220       4.378493  632.4344 108.6270 610.4266 144.0090 22.00781       180.3841 
1 1 1 19  5  5  o 406.9878 95.29442 6.463196       2.263185  6.032285       4.261479  6.632477       2.670986  377.1731 149.6691 436.8024 117.9968 -59.62930      190.5888 
1 1 1 19  5  6  o 230.3699 76.96690 -0.8436657     2.097753  0.3171083      3.940437  -1.302757      2.478106  262.0670 122.0217 198.6729 93.84196 63.39413       153.9338 
1 1 1 19  5  7  o 453.3758 91.98743 8.373764       2.245462  8.873479       2.942950  7.677516       3.473788  489.8121 119.6937 416.9394 139.7146 72.87268       183.9749 
1 1 1 19  5  8  o 297.2963 81.30932 3.177632       1.849047  1.390385       2.565796  5.108699       2.667035  243.3942 107.1888 351.1983 122.2922 -107.8040      162.6186 
1 1 1 19  5  9  o 208.7971 70.28963 -0.9513403     2.064757  -2.141671      2.988376  0.1359659      2.856125  195.5129 95.06260 222.0813 103.5646 -26.56841      140.5793 
1 1 1 19  5  10 o 255.6185 82.99274 1.871384       2.385358  2.768497       3.849424  1.312178       3.039193  270.1658 123.9338 241.0713 110.4155 29.09445       165.9855 
1 1 1 19  5  11 o 286.2908 88.02243 3.309893       2.079749  2.022769       2.396487  7.236598       4.185804  242.4054 105.2249 330.1761 141.1365 -87.77072      176.0449 
1 1 1 19  6  0  o 395.0498 71.92903 4.536566       1.910631  -0.5264865     2.723509  9.443062       2.681072  230.3618 105.1359 559.7377 98.19153 -329.3759      143.8581 
1 1 1 19  6  1  o 923.5977 52.35360 24.04821       2.403717  26.51278       3.332598  21.37573       3.470320  980.8702 67.52138 866.3251 80.02789 114.5451       104.7072 
1 1 1 19  6  2  o 517.7611 79.89606 8.620339       2.112615  13.07857       3.146830  4.962267       2.850482  657.1397 97.54793 378.3825 126.5619 278.7572       159.7921 
1 1 1 19  6  3  o 357.2792 86.23487 3.974753       2.160805  0.7317554      3.033956  7.313030       3.078203  259.8354 115.3828 454.7230 128.1898 -194.8876      172.4697 
1 1 1 19  6  4  o 560.2861 81.99960 10.49161       2.247077  10.41932       3.255846  10.55736       3.105198  553.8505 119.6140 566.7216 112.1973 -12.87109      163.9992 
1 1 1 19  6  5  o 455.9635 84.23283 7.394396       2.001212  5.921412       2.808672  8.913296       2.852110  399.2050 125.0122 512.7221 112.9275 -113.5172      168.4657 
1 1 1 19  6  6  o 491.1713 87.60651 8.949326       2.125728  8.791729       2.645263  9.236629       3.571617  510.8237 105.7678 471.5188 139.6881 39.30493       175.2130 
1 1 1 19  6  7  o 409.3093 97.45251 7.166468       2.325511  5.940582       2.922107  9.284067       3.840547  375.9830 128.1304 442.6357 146.8692 -66.65271      194.9050 
1 1 1 19  6  8  o 327.4260 93.78307 4.749276       2.268210  6.445374       4.217639  4.059126       2.690392  342.7434 143.8620 312.1085 120.3528 30.63495       187.5661 
1 1 1 19  6  9  o 262.5473 77.59269 1.928912       1.859696  -0.3281772     2.550831  4.489735       2.717047  205.7107 96.55688 319.3839 121.4877 -113.6732      155.1854 
1 1 1 19  6  10 o 310.4028 92.07122 5.027924       2.452445  4.827683       4.041915  5.144595       3.085263  298.5412 132.8448 322.2644 127.5175 -23.72321      184.1424 
1 1 1 19  6  11 o 247.2747 80.03061 2.256704       2.230415  2.435584       3.506341  2.135130       2.890639  250.7194 116.1785 243.8300 110.1006 6.889374       160.0612 
1 1 1 19  7  0  o 354.6344 85.76956 4.178763       1.877396  4.998819       2.657944  3.362282       2.652143  384.1115 121.7885 325.1574 120.8025 58.95410       171.5391 
1 1 1 19  7  1  o 378.6476 86.99933 4.931958       1.919510  4.465629       2.754717  5.372076       2.676180  361.0044 124.3664 396.2908 121.6903 -35.28641      173.9987 
1 1 1 19  7  2  o 557.1298 77.85677 10.01205       2.108449  9.633063       3.124835  10.32880       2.856760  538.2727 117.9281 575.9868 101.6842 -37.71405      155.7135 
1 1 1 19  7  3  o 432.9239 90.84872 6.856302       2.173313  7.935315       3.026515  5.707539       3.122803  475.1009 124.3708 390.7470 132.4608 84.35388       181.6974 
1 1 1 19  7  4  o 375.4020 84.41079 5.005411       2.095903  1.726551       3.040528  7.973964       2.893077  274.1719 118.7686 476.6320 119.9781 -202.4601      168.8216 
1 1 1 19  7  5  o 215.9959 70.01286 -0.1994032     1.732499  -0.3740939     2.529590  -0.4506064E-01 2.377705  215.4245 99.41939 216.5673 98.60521 -1.142868      140.0257 
1 1 1 19  7  6  o 373.8380 85.93356 5.438754       1.850123  5.801519       2.829781  5.167912       2.445107  378.5637 126.0917 369.1122 116.7869 9.451447       171.8671 
1 1 1 19  7  7  o 376.0131 84.96513 5.696254       1.826701  5.634747       2.572893  5.758772       2.593926  374.0883 119.9532 377.9379 120.3641 -3.849579      169.9303 
1 1 1 19  7  8  o 269.0459 76.65719 2.111521       1.977096  4.810397       2.504406  -2.352728      3.220977  338.7638 118.4744 199.3280 97.30939 139.4357       153.3144 
1 1 1 19  7  9  o 335.7534 89.78918 5.816990       2.446480  7.393118       2.957246  2.399083       4.354836  404.8763 128.4723 266.6304 125.4721 138.2459       179.5784 
1 1 1 19  7  10 o 262.4154 84.93285 2.784672       2.557875  1.545621       4.669745  3.315783       3.057322  251.6264 121.4878 273.2044 118.7226 -21.57800      169.8657 
1 1 1 19  7  11 o 213.6935 104.4042 -0.4876206     3.728767  0.000000       0.000000  -0.4876206     3.728767  ?        ?        213.6935 104.4042 ?              ?        
1 1 1 19  8  0  o 336.8496 85.89423 3.788551       1.890162  3.142508       2.660456  4.447016       2.685912  314.6546 120.0895 359.0447 122.8405 -44.39008      171.7885 
1 1 1 19  8  1  o 715.7479 62.31055 15.07127       2.184800  16.33640       3.395913  14.17780       2.853850  734.9764 93.37103 696.5195 82.53648 38.45697       124.6211 
1 1 1 19  8  2  o 478.8063 85.24283 7.878593       2.072056  9.222347       3.055450  6.734429       2.819419  520.7600 118.5518 436.8526 122.5186 83.90744       170.4857 
1 1 1 19  8  3  o 298.1780 84.06421 2.836802       1.906625  2.673145       2.617077  3.021915       2.783348  292.6118 116.9140 303.7441 120.8233 -11.13229      168.1284 
1 1 1 19  8  4  o 233.3674 75.06415 -0.5685148E-01 2.001242  -1.681594      2.895123  1.429871       2.769426  208.0647 99.18616 258.6701 112.6970 -50.60547      150.1283 
1 1 1 19  8  5  o 226.8465 71.35688 0.5782921      1.682487  -0.5786605     2.657840  1.351926       2.173395  213.2430 99.59771 240.4501 102.2131 -27.20715      142.7138 
1 1 1 19  8  6  o 274.6103 79.47863 2.472071       1.802038  3.735472       2.598102  1.300807       2.501572  307.9223 118.3981 241.2982 106.0627 66.62408       158.9573 
1 1 1 19  8  7  o 350.2950 85.55363 5.063286       1.816581  6.023083       2.867139  4.419594       2.348000  369.4689 126.9019 331.1211 114.7763 38.34781       171.1073 
1 1 1 19  8  8  o 207.7853 68.73703 -0.1889582     1.770350  0.5676661      2.741032  -0.7304755     2.318890  224.0393 103.4288 191.5313 90.56268 32.50800       137.4741 
1 1 1 19  8  9  o 271.7384 83.00877 2.905049       2.138163  4.543714       3.086834  1.393683       2.964512  305.0335 125.0901 238.4433 109.1526 66.59024       166.0175 
1 1 1 19  8  10 o 233.5529 78.18807 -1.655305      2.206990  -5.220150      2.643090  6.553992       4.010927  150.8774 75.93953 316.2284 136.6992 -165.3510      156.3761 
1 1 1 19  8  11 o 228.4030 75.70364 1.249244       1.947957  0.4758285E-01  2.298938  4.308283       3.667995  191.5820 90.46013 265.2241 121.4130 -73.64207      151.4073 
1 1 1 19  9  0  o 416.8683 83.55486 6.053826       1.845376  6.275703       2.466395  5.771650       2.781424  432.7217 111.7893 401.0150 124.2128 31.70676       167.1097 
1 1 1 19  9  1  o 238.8701 74.24665 0.2161129E-01  1.822669  -1.973423      2.473882  2.390379       2.695660  191.0398 91.24057 286.7004 117.1555 -95.66058      148.4933 
1 1 1 19  9  2  o 479.4685 84.27286 8.153167       2.047223  7.331537       2.996256  8.872608       2.803744  444.9927 126.8316 513.9443 111.0018 -68.95160      168.5457 
1 1 1 19  9  3  o 429.2212 89.29696 6.982090       2.099009  8.320137       3.035927  5.756732       2.905276  473.9335 124.8049 384.5090 127.7479 89.42450       178.5939 
1 1 1 19  9  4  o 278.8536 83.05316 2.469030       2.003018  2.743015       2.801758  2.182600       2.864682  285.5138 118.3378 272.1934 116.5654 13.32043       166.1063 
1 1 1 19  9  5  o 298.2490 80.16917 3.299670       1.703746  4.127011       2.405677  2.467103       2.413261  325.6453 115.9109 270.8527 110.7838 54.79254       160.3383 
1 1 1 19  9  6  o 339.1644 82.37444 4.698074       1.864860  2.655958       2.689749  6.588353       2.587823  271.6220 114.4931 406.7069 118.4631 -135.0849      164.7489 
1 1 1 19  9  7  o 297.1992 87.25251 4.005204       2.187722  3.316915       3.827145  4.339274       2.666297  280.0124 126.5398 314.3859 120.1652 -34.37347      174.5050 
1 1 1 19  9  8  o 328.4156 84.18634 4.643828       2.055483  1.691230       2.879652  7.710850       2.934919  243.5473 109.9396 413.2839 127.5251 -169.7366      168.3727 
1 1 1 19  9  9  o 233.5254 70.07392 0.2704083E-01  1.827931  4.492558       2.490449  -5.188184      2.691400  313.3951 116.9375 153.6556 77.24660 159.7395       140.1478 
1 1 1 19  9  10 o 248.7410 82.89091 2.279085       2.632699  0.4238550      3.406112  5.032280       4.149337  218.8085 105.1793 278.6736 128.1442 -59.86510      165.7818 
1 1 1 19  10 0  o 359.0164 83.72826 4.646335       1.761352  4.660587       2.342125  4.627782       2.672251  363.5987 114.2065 354.4342 122.4686 9.164520       167.4565 
1 1 1 19  10 1  o 350.9305 77.39485 3.739749       1.887714  7.931325       2.759105  0.5098349E-01  2.588332  475.8988 115.6513 225.9621 102.8817 249.9367       154.7897 
1 1 1 19  10 2  o 236.2842 73.05518 0.7796531      1.731243  -0.7792298     2.669871  1.910681       2.274155  212.2225 99.34802 260.3460 107.1364 -48.12358      146.1104 
1 1 1 19  10 3  o 233.5642 75.95464 0.2546090      2.039131  0.5865937      3.123431  0.8008681E-02  2.691967  243.6704 111.7270 223.4580 102.9247 20.21246       151.9093 
1 1 1 19  10 4  o 386.6586 92.32934 6.437832       2.146388  5.869281       2.950467  7.076956       3.128230  369.7121 128.6327 403.6051 132.4857 -33.89301      184.6587 
1 1 1 19  10 5  f 294.9465 83.41387 3.487911       1.866974  3.789345       2.911519  3.277411       2.433039  299.9728 122.0732 289.9203 113.7085 10.05246       166.8277 
1 1 1 19  10 6  o 235.8786 75.08004 1.278633       1.868715  1.734076       2.257679  0.2877119      3.330159  240.9913 103.3498 230.7659 108.9352 10.22546       150.1601 
1 1 1 19  10 7  o 263.4784 78.84356 2.361153       1.836277  4.322333       2.824823  0.9259644      2.416501  305.0513 121.6014 221.9055 100.3909 83.14584       157.6871 
1 1 1 19  10 8  o 228.0883 75.59729 0.8664505      2.113584  0.2836534E-04  4.020910  1.197250       2.484517  230.3516 111.5940 225.8250 102.0126 4.526596       151.1946 
1 1 1 19  10 9  o 276.9461 120.3230 3.950740       3.138969  3.950740       3.138969  0.000000       0.000000  276.9461 120.3230 ?        ?        ?              ?        
1 1 1 19  10 10 o 246.8974 76.58947 1.729252       2.300629  6.030156       2.951824  -4.926236      3.671982  318.6982 125.1658 175.0966 88.30237 143.6017       153.1789 
1 1 1 19  11 0  o 274.3064 79.69189 2.303500       1.807529  3.000031       2.462670  1.490053       2.661339  293.8748 114.6360 254.7380 110.7329 39.13675       159.3838 
1 1 1 19  11 1  o 245.7903 79.58238 0.7321670      2.101876  0.8012760      2.504493  0.5675414      3.865461  234.2845 104.3876 257.2961 120.1526 -23.01160      159.1648 
1 1 1 19  11 2  o 198.7250 69.11123 -3.304408      2.354575  -4.970292      4.066963  -2.464505      2.887767  204.3772 101.5445 193.0728 93.77722 11.30438       138.2225 
1 1 1 19  11 3  o 267.4567 84.48516 1.801077       2.169982  0.7477503      2.622519  4.088037       3.864261  230.6807 104.4517 304.2327 132.8187 -73.55200      168.9703 
1 1 1 19  11 4  o 283.0533 90.29860 3.016535       2.501485  2.580611       2.875506  4.372880       5.072176  268.7373 115.9578 297.3693 138.4527 -28.63199      180.5972 
1 1 1 19  11 5  o 203.1636 67.52664 -0.2761687     1.713519  -0.2031341     2.856613  -0.3172171     2.141584  213.8608 100.9362 192.4664 89.72890 21.39442       135.0533 
1 1 1 19  11 6  o 322.4633 78.37855 4.233822       2.048127  -0.6214097     3.142667  7.818567       2.700365  211.8938 101.6373 433.0328 119.3426 -221.1391      156.7571 
1 1 1 19  11 7  o 394.2095 100.8264 9.093183       2.633662  8.880168       3.203023  9.537788       4.627462  426.8303 133.4737 361.5888 151.1575 65.24149       201.6527 
1 1 1 19  11 8  o 250.8462 112.9075 2.538616       3.011766  2.538616       3.011766  0.000000       0.000000  250.8462 112.9075 ?        ?        ?              ?        
1 1 1 19  11 9  o 219.6637 72.44678 0.9735131      2.147105  2.616480       2.567267  -2.850275      3.916548  244.8670 107.5432 194.4603 97.10098 50.40662       144.8936 
1 1 1 19  12 0  o 256.3948 81.86506 1.379558       2.044007  0.8769379      2.399700  2.708124       3.901473  229.7773 102.2945 283.0124 127.8412 -53.23511      163.7301 
1 1 1 19  12 1  o 231.7280 74.83605 0.6442402      1.963788  1.194452       2.528654  -0.1919230     3.117239  237.7152 105.4591 225.7407 106.2079 11.97446       149.6721 
1 1 1 19  12 2  o 228.8830 76.35944 -1.837418      2.490679  -7.005441      3.531324  3.278414       3.513448  172.7452 87.05216 285.0208 125.4790 -112.2756      152.7189 
1 1 1 19  12 3  o 222.5833 77.47685 -3.714615      3.215671  1.584964       4.290916  -10.50407      4.856761  258.9380 122.6594 186.2286 94.68533 72.70941       154.9537 
1 1 1 19  12 4  o 215.2919 74.00816 -0.9854012     2.398685  -0.4108914     2.787231  -2.625902      4.709908  207.9501 98.60872 222.6337 110.3864 -14.68359      148.0163 
1 1 1 19  12 5  o 189.9270 67.65835 -3.572974      2.066388  -4.571817      2.352750  -0.2026711     4.321767  146.6354 73.51796 233.2187 113.6033 -86.58327      135.3167 
1 1 1 19  12 6  f 144.9700 51.55542 -4.861989      1.686932  -5.067673      2.542274  -4.700182      2.254865  149.0161 74.93468 140.9240 70.82822 8.092072       103.1108 
1 1 1 19  12 7  o 205.6765 67.82362 -0.4035127     1.792355  -2.810724      2.438755  2.424016       2.643106  163.4769 80.75980 247.8762 108.9864 -84.39932      135.6472 
1 1 1 19  12 8  o 210.8496 70.92064 0.4810287      2.071414  0.6657527      2.902160  0.2891972      2.957465  213.0074 100.8944 208.6917 99.69591 4.315735       141.8413 
1 1 1 19  12 9  o 213.7036 73.07129 -0.1417815     2.283802  4.679317       3.659538  -3.217150      2.922818  260.5334 120.0028 166.8737 83.40850 93.65973       146.1426 
1 1 1 19  13 0  o 353.8912 100.3039 6.416240       2.753287  10.13698       4.352034  3.933284       3.555183  413.7029 154.5400 294.0796 127.9097 119.6234       200.6078 
1 1 1 19  13 1  o 253.3352 79.02402 1.740145       1.938614  0.5121995      2.472209  3.700932       3.123999  217.2778 99.54234 289.3926 122.7620 -72.11484      158.0480 
1 1 1 19  13 2  o 271.7629 86.96099 2.497670       2.391311  0.9689431      2.907935  5.690774       4.202679  231.5125 106.7569 312.0133 137.3019 -80.50082      173.9220 
1 1 1 19  13 3  o 365.1086 92.15920 6.749865       2.229449  8.025408       3.091967  5.368545       3.217618  409.3282 131.5236 320.8889 129.1311 88.43927       184.3184 
1 1 1 19  13 4  o 360.3739 98.79461 7.916758       2.654952  8.237521       3.367529  7.389904       4.315830  391.6288 137.3578 329.1191 142.0364 62.50967       197.5892 
1 1 1 19  13 5  o 287.8319 84.88562 4.328806       2.226987  5.000091       2.563746  2.265229       4.495024  323.7170 119.0485 251.9468 121.0360 71.77022       169.7712 
1 1 1 19  13 6  o 331.1117 124.3713 5.746473       2.826307  5.746473       2.826307  0.000000       0.000000  331.1117 124.3713 ?        ?        ?              ?        
1 1 1 19  13 7  o 148.7910 74.85770 -4.684678      2.553754  -4.684678      2.553754  0.000000       0.000000  148.7910 74.85770 ?        ?        ?              ?        
1 1 1 19  13 8  f 265.2835 86.98632 3.051028       2.801458  -1.988330      3.573800  11.08326       4.511912  189.5612 94.34682 341.0057 146.1682 -151.4445      173.9726 
1 1 1 19  14 0  o 260.5835 75.72774 2.366077       1.770440  4.237651       2.402585  0.1422483      2.618942  310.7253 115.0700 210.4418 98.47672 100.2835       151.4555 
1 1 1 19  14 1  o 277.4553 77.12575 3.168030       2.009219  -2.006383      3.751722  5.248919       2.379165  207.6321 102.1116 347.2785 115.6146 -139.6464      154.2515 
1 1 1 19  14 2  o 236.9605 78.49004 1.104110       2.273035  3.231127       3.686482  -0.2005359     2.887174  265.5494 121.6195 208.3717 99.25446 57.17769       156.9801 
1 1 1 19  14 3  o 237.5685 75.18238 0.2849903      2.324718  -7.421328      3.826488  4.793406       2.926772  171.0231 86.65591 304.1138 122.8833 -133.0907      150.3648 
1 1 1 19  14 4  o 222.5968 75.70281 0.4606621      2.444173  0.2110107      4.150058  0.5932438      3.024329  227.0397 110.7535 218.1539 103.2343 8.885788       151.4056 
1 1 1 19  14 5  o 235.1509 75.26709 1.736222       1.877829  0.5948708      2.407319  3.510037       3.001084  205.8818 95.69864 264.4200 116.1994 -58.53818      150.5342 
1 1 1 19  14 6  o 228.3506 104.3722 1.884676       2.696591  1.884676       2.696591  0.000000       0.000000  228.3506 104.3722 ?        ?        ?              ?        
1 1 1 19  14 7  o 213.2578 72.91289 0.3258475      2.295686  -2.078296      2.963996  3.930375       3.629289  176.9574 87.70849 249.5583 116.5006 -72.60089      145.8258 
1 1 1 19  15 0  o 235.6353 78.58625 1.430445       2.217918  1.847672       4.620405  1.305519       2.528251  246.8051 119.5799 224.4655 101.9993 22.33965       157.1725 
1 1 1 19  15 1  o 191.2292 66.35220 -1.427156      2.026976  -4.487405      4.414696  -0.6096858     2.281700  197.2254 99.12273 185.2329 88.23344 11.99248       132.7044 
1 1 1 19  15 2  o 268.5336 86.02971 3.842891       2.473526  4.117550       4.553071  3.727887       2.946213  265.2164 125.8422 271.8509 117.3379 -6.634491      172.0594 
1 1 1 19  15 3  o 317.0707 92.67297 6.087173       2.340879  7.784312       4.039894  5.229336       2.872193  325.4001 138.8636 308.7412 122.7600 16.65897       185.3459 
1 1 1 19  15 4  o 212.3618 73.06731 0.3774733E-01  2.505719  -0.4304301     3.869871  0.3757282      3.288042  211.7925 104.0673 212.9311 102.5930 -1.138565      146.1346 
1 1 1 19  15 5  o 247.2865 79.45139 3.171438       2.166830  3.291732       3.152598  3.063729       2.983138  248.6879 113.3505 245.8851 111.3631 2.802887       158.9028 
1 1 1 19  15 6  o 155.6784 77.28195 -3.929191      1.999010  -7.825202      3.863528  -2.504904      2.336000  ?        ?        155.6784 77.28195 ?              ?        
1 1 1 19  15 7  o 212.3178 69.02924 1.342892       1.998867  -3.678055      3.364985  4.080608       2.484760  166.7867 84.16293 257.8489 109.4383 -91.06224      138.0585 
1 1 1 19  16 0  o 278.6559 89.72276 4.724105       3.078339  0.8854371E-05  4.642668  8.430480       4.112282  224.4825 110.9957 332.8294 140.9988 -108.3469      179.4455 
1 1 1 19  16 1  o 272.6581 84.80493 4.407121       2.382557  3.111722       4.768677  4.838061       2.750454  247.6379 120.3325 297.6782 119.5307 -50.04030      169.6099 
1 1 1 19  16 2  o 349.6971 89.32881 7.336751       2.170268  7.740975       2.671799  6.552742       3.720941  397.9137 121.4885 301.4804 130.9927 96.43329       178.6576 
1 1 1 19  16 3  o 235.5023 80.50338 2.500123       2.856108  3.006035       4.862713  2.233676       3.528961  239.2973 117.3940 231.7072 110.1899 7.590012       161.0068 
1 1 1 19  16 4  o 262.5346 82.83818 4.087403       2.104731  3.211831       2.511748  6.151657       3.856661  248.3033 107.7553 276.7659 125.8469 -28.46254      165.6764 
1 1 1 19  16 5  o 185.4165 63.89326 -0.5270701     1.751673  1.791029       3.028105  -1.692893      2.147441  214.2443 101.9399 156.5887 77.05611 57.65565       127.7865 
1 1 1 19  17 0  o 269.4038 87.17677 5.220446       2.649792  5.929001       4.645538  4.878745       3.226063  264.7734 126.0602 274.0342 120.4491 -9.260803      174.3535 
1 1 1 19  17 1  o 206.0957 70.07135 -0.9530313E-01 1.895043  -1.942534      2.289025  3.928933       3.378561  160.8676 79.23779 251.3239 115.5913 -90.45639      140.1427 
1 1 1 19  17 2  o 214.6447 71.04170 1.659791       1.926081  1.741759       2.552715  1.551443       2.934871  215.3546 99.55733 213.9347 101.3708 1.419952       142.0834 
1 1 1 19  17 3  o 244.8972 76.62901 3.256913       2.196989  6.005758       2.821803  -0.9742131     3.500900  300.1800 120.8820 189.6143 94.21019 110.5656       153.2580 
1 1 1 19  17 4  o 231.8224 71.16773 1.431632       1.775985  -2.426652      2.362299  6.447226       2.693388  152.6964 76.11250 310.9484 120.2758 -158.2519      142.3355 
1 1 1 19  18 0  o 249.0369 77.46501 3.872310       1.891943  3.786261       2.253812  4.077617       3.481356  259.0234 106.6316 239.0504 112.3967 19.97302       154.9300 
1 1 1 19  18 1  o 238.2987 77.97544 3.550602       2.123752  2.132276       2.658585  6.051666       3.530408  213.3496 99.63548 263.2477 119.9727 -49.89807      155.9509 
1 1 1 19  18 2  o 237.2428 75.56284 3.485459       1.947305  1.697651       2.646163  5.597288       2.875978  203.0356 96.22070 271.4499 116.5356 -68.41432      151.1257 
1 1 1 20  0  0  o 455.0808 106.9019 7.780818       3.100330  7.780818       3.100330  7.780818       3.100330  455.0808 151.1821 455.0808 151.1821 0.000000       0.000000 
1 1 1 20  0  1  o 197.4276 86.63840 1.328230       2.450492  1.328230       2.450492  1.328230       2.450492  197.4276 122.5252 197.4276 122.5252 0.000000       0.000000 
1 1 1 20  0  2  o 161.7572 76.68293 -0.2364034     2.485770  -0.2364034     2.485770  -0.2364034     2.485770  161.7572 108.4460 161.7572 108.4460 0.000000       0.000000 
1 1 1 20  0  3  o 199.6955 93.47573 0.6836559      3.500206  0.6836559      3.500206  0.6836559      3.500206  199.6955 132.1946 199.6955 132.1946 0.000000       0.000000 
1 1 1 20  0  4  o 335.7339 131.0552 6.926576       4.589456  6.926576       4.589456  6.926576       4.589456  335.7339 185.3401 335.7339 185.3401 0.000000       0.000000 
1 1 1 20  0  5  o 987.4075 90.71126 31.84051       6.114039  31.84051       6.114039  31.84051       6.114039  987.4075 128.2851 987.4075 128.2851 0.000000       0.000000 
1 1 1 20  0  6  o 537.5083 78.50917 9.433833       2.667214  9.433833       2.667214  9.433833       2.667214  537.5083 111.0287 537.5083 111.0287 0.000000       0.000000 
1 1 1 20  0  7  o 440.6115 99.70474 7.693581       2.773078  7.693581       2.773078  7.693581       2.773078  440.6115 141.0038 440.6115 141.0038 0.000000       0.000000 
1 1 1 20  0  8  o 144.8711 71.22466 -0.9681900     2.616450  -0.9681900     2.616450  -0.9681900     2.616450  144.8711 100.7269 144.8711 100.7269 0.000000       0.000000 
1 1 1 20  0  9  o 220.7462 96.63095 2.924003       3.029188  2.924003       3.029188  2.924003       3.029188  220.7462 136.6568 220.7462 136.6568 0.000000       0.000000 
1 1 1 20  0  10 o 270.5672 113.4118 5.795807       3.808649  5.795807       3.808649  5.795807       3.808649  270.5672 160.3885 270.5672 160.3885 0.000000       0.000000 
1 1 1 20  1  0  o 623.9892 102.2863 12.09448       3.119312  0.000000       0.000000  12.09448       3.119312  ?        ?        623.9892 102.2863 ?              ?        
1 1 1 20  1  1  o 610.2639 95.14416 11.36601       2.843709  0.000000       0.000000  11.36601       2.843709  ?        ?        610.2639 95.14416 ?              ?        
1 1 1 20  1  2  o 346.5783 121.4759 4.223635       2.633603  0.000000       0.000000  4.223635       2.633603  ?        ?        346.5783 121.4759 ?              ?        
1 1 1 20  1  3  o 357.9131 117.9414 4.565925       2.478212  0.000000       0.000000  4.565925       2.478212  ?        ?        357.9131 117.9414 ?              ?        
1 1 1 20  1  4  o 546.9386 96.01617 11.78451       2.556250  11.57341       4.614733  11.87796       3.070344  493.8394 160.8560 600.0378 104.8893 -106.1985      192.0323 
1 1 1 20  1  5  o 367.1857 90.89055 6.180162       2.480562  7.679496       2.875372  1.817261       4.904928  448.9880 122.9062 285.3834 133.9344 163.6046       181.7811 
1 1 1 20  1  6  o 436.4646 101.6590 8.137713       2.434803  6.612951       2.903983  11.74638       4.467521  398.2805 127.4091 474.6486 158.4461 -76.36804      203.3181 
1 1 1 20  1  7  o 307.7250 82.82550 3.867919       1.793570  4.057227       2.298091  3.572917       2.868771  320.1339 113.3597 295.3160 120.7884 24.81793       165.6510 
1 1 1 20  1  8  o 333.2766 78.19691 4.857114       2.134578  -1.520934      3.907790  7.569452       2.548351  222.0358 108.1274 444.5174 112.9933 -222.4816      156.3938 
1 1 1 20  1  9  o 277.7694 81.83920 2.949148       2.437825  -4.969108      4.887328  5.571796       2.812722  210.6116 105.6434 344.9272 125.0204 -134.3156      163.6784 
1 1 1 20  1  10 o 278.5153 83.07011 3.636804       2.051328  2.433570       2.913115  4.820253       2.889066  250.2797 111.9693 306.7508 122.7414 -56.47108      166.1402 
1 1 1 20  2  0  o 528.9746 110.3119 9.038689       2.858542  0.000000       0.000000  9.038689       2.858542  ?        ?        528.9746 110.3119 ?              ?        
1 1 1 20  2  1  o 185.8887 87.50382 -1.387712      2.121103  0.000000       0.000000  -1.387712      2.121103  ?        ?        185.8887 87.50382 ?              ?        
1 1 1 20  2  2  o 245.8316 103.3406 1.243868       2.181648  0.000000       0.000000  1.243868       2.181648  ?        ?        245.8316 103.3406 ?              ?        
1 1 1 20  2  3  f 552.9741 92.52106 12.23814       2.542133  9.302153       4.536537  13.58209       3.069307  445.4335 159.1058 660.5147 94.47706 -215.0812      185.0421 
1 1 1 20  2  4  o 654.4066 92.22527 16.04168       2.824962  15.31644       4.702116  16.45130       3.533807  596.8981 154.4268 711.9150 100.8681 -115.0170      184.4505 
1 1 1 20  2  5  o 543.2787 89.54004 11.74909       2.397066  10.04441       4.004156  12.70123       2.992536  464.2574 149.7248 622.3000 98.24542 -158.0426      179.0801 
1 1 1 20  2  6  o 518.2568 86.89283 13.04180       2.672965  16.02450       3.198733  6.138786       4.866226  702.4845 92.16487 334.0291 147.3333 368.4554       173.7857 
1 1 1 20  2  7  o 358.7854 94.30857 6.089915       2.268142  5.915863       2.850152  6.390498       3.745505  367.2424 126.5031 350.3284 139.9049 16.91406       188.6171 
1 1 1 20  2  8  o 196.5001 66.31872 -1.025071      1.835919  -2.317931      3.057087  -0.2957685     2.296073  194.2480 94.82321 198.7522 92.74292 -4.504181      132.6374 
1 1 1 20  2  9  o 202.7817 67.30639 -0.1987558     1.752836  -0.2047397     2.504074  -0.1930067     2.454440  203.3338 95.51374 202.2296 94.85635 1.104279       134.6128 
1 1 1 20  2  10 o 513.8057 92.63020 12.20983       2.417663  12.08617       3.507713  12.32174       3.336865  500.5754 135.2207 527.0358 126.6364 -26.46039      185.2604 
1 1 1 20  3  0  o 274.0459 74.34368 0.8060879      1.858184  -3.722669      2.752111  4.600332       2.519063  182.7229 89.36181 365.3690 118.8377 -182.6462      148.6874 
1 1 1 20  3  1  o 215.8138 73.81294 -1.979314      2.089053  -4.025281      4.546601  -1.431779      2.352033  236.5788 115.5207 195.0487 91.91498 41.53015       147.6259 
1 1 1 20  3  2  o 231.0052 74.92134 -0.5602038     1.998612  1.181646       2.997034  -1.955163      2.682052  262.5930 115.7347 199.4174 95.17513 63.17567       149.8427 
1 1 1 20  3  3  o 519.8542 98.00011 10.66480       2.575466  10.69009       4.461226  10.65216       3.154152  483.1552 158.1961 556.5533 115.7155 -73.39807      196.0002 
1 1 1 20  3  4  o 776.0601 81.50160 20.17945       2.900706  23.00299       5.115697  18.84147       3.521541  777.4882 134.8541 774.6320 91.56644 2.856201       163.0032 
1 1 1 20  3  5  o 329.7929 94.61108 4.652873       2.389606  5.201625       4.239377  4.397329       2.892983  331.3372 141.8453 328.2487 125.2396 3.088440       189.2222 
1 1 1 20  3  6  o 268.2088 81.65250 2.327182       1.933437  2.468313       3.430942  2.261508       2.340451  274.0485 122.1363 262.3691 108.4031 11.67932       163.3050 
1 1 1 20  3  7  o 244.5138 78.28582 1.179754       1.914694  0.5380562      2.289699  2.671827       3.491467  215.9836 97.71577 273.0440 122.3369 -57.06038      156.5716 
1 1 1 20  3  8  o 263.4024 84.29629 1.206061       2.331215  -1.292600      2.886519  5.892678       3.953215  200.6840 96.55376 326.1208 138.2057 -125.4368      168.5926 
1 1 1 20  3  9  o 212.8531 70.18594 0.1948790      1.840694  -0.4437892     2.470886  0.9912752      2.759178  197.8945 93.54461 227.8116 104.6598 -29.91716      140.3719 
1 1 1 20  3  10 f 355.8554 94.89977 7.304359       2.332336  7.053266       3.257354  7.568526       3.341083  350.6534 133.1067 361.0575 135.3014 -10.40411      189.7995 
1 1 1 20  4  0  o 235.9372 77.13622 -0.5846760     2.195844  -3.544082      3.962156  0.7272229      2.638028  225.3993 109.5631 246.4752 108.6090 -21.07591      154.2724 
1 1 1 20  4  1  o 381.1664 98.95162 5.725341       2.437916  5.847430       4.486238  5.674179       2.904147  370.6850 151.2672 391.6477 127.6084 -20.96277      197.9032 
1 1 1 20  4  2  o 258.4929 78.63795 1.234193       1.898584  0.5009042E-01  2.641385  2.499870       2.730855  229.3991 104.2470 287.5867 117.7636 -58.18762      157.2759 
1 1 1 20  4  3  o 211.3487 69.25274 -0.6033424     1.776646  -1.367260      2.582695  0.8288263E-01  2.447840  201.1792 95.25906 221.5181 100.5459 -20.33882      138.5055 
1 1 1 20  4  4  o 303.1012 88.10409 3.288518       2.255263  4.751732       3.122500  1.692775       3.260843  339.3182 129.9574 266.8842 118.9975 72.43399       176.2082 
1 1 1 20  4  5  o 235.1690 78.14014 0.5798870E-01  2.250386  -0.5669936     4.137289  0.3205854      2.681802  244.0383 116.9395 226.2996 103.6758 17.73871       156.2803 
1 1 1 20  4  6  o 274.2719 82.03045 2.679203       1.959018  3.089495       2.876824  2.324433       2.675102  283.9023 118.9711 264.6416 112.9684 19.26071       164.0609 
1 1 1 20  4  7  o 346.0885 92.07317 5.562297       2.144635  6.304999       3.622184  5.161391       2.661245  347.2979 137.9322 344.8791 122.0024 2.418732       184.1463 
1 1 1 20  4  8  o 236.2579 78.07568 0.7799063      2.348694  1.715633       2.901690  -0.9979148     3.999638  246.3446 110.8584 226.1713 109.9711 20.17331       156.1514 
1 1 1 20  4  9  o 194.7756 68.42256 -2.739322      2.219350  -3.534783      2.640786  -0.8264337     4.095140  165.7242 82.25188 223.8270 109.3673 -58.10275      136.8451 
1 1 1 20  4  10 o 258.8041 80.60846 2.855722       2.192428  5.090695       3.032706  0.4088989      3.173185  301.7834 123.8997 215.8248 103.1492 85.95857       161.2169 
1 1 1 20  5  0  o 313.4177 86.02779 3.279292       1.967833  2.683335       2.785131  3.873374       2.780747  295.5970 119.7218 331.2384 123.5711 -35.64145      172.0556 
1 1 1 20  5  1  o 315.6523 88.88428 1.691624       2.231090  -1.213068      2.726387  7.580173       3.881876  210.9241 99.26390 420.3804 147.4732 -209.4564      177.7686 
1 1 1 20  5  2  o 402.6486 98.48714 7.050932       2.589700  8.130736       3.268126  5.228695       4.245500  456.8022 133.1475 348.4950 145.1572 108.3072       196.9743 
1 1 1 20  5  3  o 239.1603 81.18719 -0.8684131     2.503182  -1.613260      5.199227  -0.6436638     2.855975  258.7065 125.6963 219.6141 102.7904 39.09242       162.3744 
1 1 1 20  5  4  o 336.1398 104.1376 5.661048       3.383653  4.802680       4.655353  6.622348       4.926575  322.2195 143.0133 350.0602 151.4124 -27.84076      208.2751 
1 1 1 20  5  5  f 332.1542 86.06737 4.503997       2.097423  2.010505       3.053055  6.732647       2.886368  263.0397 116.3260 401.2688 126.8804 -138.2291      172.1347 
1 1 1 20  5  6  o 323.6995 84.29314 4.322772       1.829947  3.446186       2.478483  5.373323       2.713299  294.2524 114.9425 353.1465 123.3270 -58.89413      168.5863 
1 1 1 20  5  7  o 306.6051 83.26166 3.466148       1.877640  6.610910       3.015263  1.474337       2.399691  376.5694 130.0929 236.6407 103.9512 139.9287       166.5233 
1 1 1 20  5  8  o 216.0627 71.95605 0.3756253E-01  2.034006  -0.6083156     3.162055  0.4934451      2.656566  213.3318 102.2272 218.7935 101.2931 -5.461777      143.9121 
1 1 1 20  5  9  o 228.6129 76.34721 0.6519002      2.425521  2.152151       2.943982  -2.518569      4.279716  246.4487 111.2132 210.7771 104.6290 35.67165       152.6944 
1 1 1 20  5  10 f 200.2423 68.98894 -0.8898824     2.282299  0.4193510      3.125599  -2.385262      3.340415  212.5367 101.7907 187.9479 93.14794 24.58875       137.9779 
1 1 1 20  6  0  o 490.0775 81.23034 8.310979       1.980262  8.729211       2.696956  7.821718       2.916995  513.5416 107.1957 466.6133 122.0760 46.92822       162.4607 
1 1 1 20  6  1  o 347.0522 86.55767 4.788761       2.178021  6.264421       2.599133  1.309052       3.991232  416.9836 117.8779 277.1208 126.7822 139.8627       173.1153 
1 1 1 20  6  2  o 262.2077 79.96449 0.6109738      2.050485  4.320362       3.178470  -2.033246      2.683587  329.9491 129.7871 194.4664 93.44834 135.4827       159.9290 
1 1 1 20  6  3  o 524.3320 89.73330 10.58781       2.376260  9.102878       3.347831  12.09551       3.373393  472.1955 133.8864 576.4685 119.5102 -104.2730      179.4666 
1 1 1 20  6  4  o 247.4076 78.64095 0.7903358      2.289995  2.843026       2.719806  -4.208798      4.244471  281.8042 116.6803 213.0110 105.4671 68.79317       157.2819 
1 1 1 20  6  5  o 277.5391 88.54774 2.517030       2.552565  4.305632       4.159650  1.436685       3.232818  303.4120 134.9006 251.6663 114.7373 51.74567       177.0955 
1 1 1 20  6  6  o 289.8609 87.57639 3.505563       2.160297  3.987856       4.228298  3.335197       2.513050  291.9455 132.3713 287.7762 114.7011 4.169250       175.1528 
1 1 1 20  6  7  o 218.0938 74.54236 -0.9533138     2.183523  1.513295       4.044874  -1.967719      2.593944  253.3478 119.7357 182.8399 88.82349 70.50786       149.0847 
1 1 1 20  6  8  o 290.6323 89.12067 4.053334       2.320037  5.359924       4.094062  3.435270       2.815799  302.5544 134.2082 278.7102 117.2951 23.84418       178.2413 
1 1 1 20  6  9  f 286.5710 85.75996 4.386181       2.214431  3.564429       4.253555  4.691710       2.593629  263.6014 124.0340 309.5407 118.4680 -45.93930      171.5199 
1 1 1 20  7  0  o 382.9679 84.73689 5.381307       1.876109  7.070283       2.761891  3.934262       2.556441  438.9398 120.5810 326.9960 119.0865 111.9438       169.4738 
1 1 1 20  7  1  o 507.2759 82.97437 9.231940       2.093011  10.06192       2.979043  8.422883       2.941247  536.9132 113.1628 477.6386 121.3803 59.27457       165.9487 
1 1 1 20  7  2  o 584.0499 76.20741 11.70623       2.168992  11.70174       3.016832  11.71103       3.120636  587.3904 105.3163 580.7093 110.1760 6.681152       152.4148 
1 1 1 20  7  3  o 307.5862 89.79118 3.802476       2.301053  5.031958       3.303782  2.644155       3.206748  335.8391 132.2517 279.3333 121.4879 56.50577       179.5824 
1 1 1 20  7  4  o 359.5026 88.98561 5.785795       2.223145  7.768545       2.964126  3.236278       3.361180  431.9375 127.0629 287.0677 124.6145 144.8698       177.9712 
1 1 1 20  7  5  o 216.7249 69.97883 -0.7116860     1.814456  2.725442       2.708368  -3.510562      2.444003  271.0811 114.6103 162.3688 80.32822 108.7123       139.9577 
1 1 1 20  7  6  o 313.1439 82.93462 4.282492       1.862332  3.006667       2.810875  5.280728       2.486352  274.0813 116.3672 352.2065 118.2002 -78.12527      165.8692 
1 1 1 20  7  7  o 265.9626 82.88343 2.803121       2.156265  2.680149       2.813646  2.978124       3.356516  263.0058 114.0915 268.9194 120.2572 -5.913605      165.7669 
1 1 1 20  7  8  o 298.2386 85.77888 3.173336       2.280091  -0.7111542     2.970885  8.740700       3.556670  203.7011 97.99303 392.7762 140.8170 -189.0752      171.5578 
1 1 1 20  7  9  o 267.8013 122.4542 4.106661       3.716668  0.000000       0.000000  4.106661       3.716668  ?        ?        267.8013 122.4542 ?              ?        
1 1 1 20  8  0  o 505.2727 82.76808 9.244970       2.080168  8.358383       2.902036  10.18187       2.983247  473.5205 120.6962 537.0248 113.2901 -63.50430      165.5362 
1 1 1 20  8  1  o 568.2828 76.06773 11.15433       2.103203  11.13418       2.876700  11.17748       3.082732  574.5923 102.6568 561.9732 112.2799 12.61914       152.1355 
1 1 1 20  8  2  o 429.1557 88.82357 7.325595       2.029116  8.321815       3.164423  6.629944       2.644313  445.9633 131.3134 412.3482 119.6466 33.61508       177.6471 
1 1 1 20  8  3  o 521.3400 84.21146 10.34971       2.247143  6.896433       3.007102  14.71681       3.381649  397.1446 129.8727 645.5355 107.2351 -248.3909      168.4229 
1 1 1 20  8  4  o 189.6624 65.60386 -2.622541      2.018075  -3.731467      2.626099  -1.023175      3.153797  167.0661 82.76141 212.2587 101.8136 -45.19261      131.2077 
1 1 1 20  8  5  o 269.1460 78.84481 2.623210       1.794047  1.445042       2.458642  3.964905       2.623727  235.8819 104.3490 302.4102 118.2256 -66.52824      157.6896 
1 1 1 20  8  6  o 247.5002 76.04214 1.976070       1.772222  1.335622       2.405893  2.735828       2.620428  230.2902 102.4818 264.7102 112.3704 -34.42006      152.0843 
1 1 1 20  8  7  o 246.7789 77.24835 1.969741       1.913261  3.230864       2.851876  0.9375904      2.580022  271.4842 116.2842 222.0737 101.7212 49.41051       154.4967 
1 1 1 20  8  8  o 208.5454 71.92204 -0.8191138     2.407035  -1.133334      3.086115  -0.3310725     3.846123  198.2657 96.44818 218.8250 106.7186 -20.55928      143.8441 
1 1 1 20  8  9  o 227.0216 75.09472 1.504101       2.266059  3.348167       2.983157  -1.011522      3.484261  254.1722 113.5379 199.8709 98.31588 54.30136       150.1894 
1 1 1 20  9  0  o 301.9431 84.40437 3.497294       1.901139  4.300394       2.870496  2.869748       2.537437  321.6154 124.2328 282.2708 114.2918 39.34470       168.8087 
1 1 1 20  9  1  o 274.1897 81.95283 2.255104       2.015934  4.463237       3.028108  0.4974063      2.701660  320.7327 126.5148 227.6468 104.2069 93.08588       163.9057 
1 1 1 20  9  2  o 496.5904 84.40894 9.518384       2.105375  8.168407       2.882593  11.06192       3.082331  449.7683 123.0359 543.4125 115.5926 -93.64426      168.8179 
1 1 1 20  9  3  o 372.2924 81.71032 5.540279       2.066747  1.663395       2.863612  9.755245       2.985862  247.6792 110.8951 496.9056 120.0358 -249.2263      163.4206 
1 1 1 20  9  4  o 200.9654 68.89525 -1.623711      2.176376  -1.889116      3.028622  -1.340315      3.129581  196.6230 95.62507 205.3078 99.20720 -8.684860      137.7905 
1 1 1 20  9  5  o 285.4015 77.52296 3.206727       1.761725  0.9669343      2.600344  5.107045       2.395191  225.5578 102.8610 345.2452 116.0123 -119.6874      155.0459 
1 1 1 20  9  6  o 169.5130 58.17830 -2.038007      1.582580  -3.523847      2.249212  -0.5811566     2.227162  151.5052 75.31548 187.5208 88.69294 -36.01561      116.3566 
1 1 1 20  9  7  f 236.9060 76.79243 1.693496       2.120674  2.509060       2.825742  0.6418142      3.208821  250.7920 111.3607 223.0200 105.7691 27.77197       153.5849 
1 1 1 20  9  8  o 227.2589 75.60194 1.468175       2.210661  1.102180       2.923581  1.956830       3.378149  219.5997 103.1706 234.9182 110.5371 -15.31851      151.2039 
1 1 1 20  10 0  o 282.3362 81.09568 3.070712       1.811836  3.163284       2.403519  2.948871       2.757434  286.2128 112.7729 278.4596 116.5689 7.753174       162.1914 
1 1 1 20  10 1  o 405.8136 87.73593 7.020539       1.986436  7.581349       2.754997  6.413276       2.866829  431.3148 121.1620 380.3123 126.9257 51.00250       175.4719 
1 1 1 20  10 2  o 307.0675 82.30209 3.945335       2.030356  0.9884178      3.098258  6.170962       2.687968  237.1559 109.6517 376.9791 122.7641 -139.8232      164.6042 
1 1 1 20  10 3  o 316.8321 88.37809 4.862653       2.187144  3.458419       3.312339  5.948190       2.912308  279.9125 122.5641 353.7516 127.3609 -73.83914      176.7562 
1 1 1 20  10 4  o 339.8719 101.9339 5.909983       2.763311  3.215739       3.248766  12.95891       5.254863  272.0805 120.1767 407.6633 164.6805 -135.5828      203.8678 
1 1 1 20  10 5  o 292.3862 81.39124 3.842443       1.776007  4.096940       2.453358  3.562235       2.574311  301.9246 115.2993 282.8478 114.9095 19.07684       162.7825 
1 1 1 20  10 6  o 184.8683 64.76015 -2.853915      2.229571  -3.216073      3.554388  -2.618973      2.862830  190.7840 94.81457 178.9525 88.23664 11.83156       129.5203 
1 1 1 20  10 7  o 185.6265 64.90512 -2.409189      2.204539  -1.090736      3.296163  -3.476298      2.965383  199.9764 97.79908 171.2766 85.35829 28.69978       129.8102 
1 1 1 20  10 8  o 213.4796 72.21957 0.8196708      2.277526  2.136390       2.957376  -1.099433      3.570337  229.1461 106.3637 197.8130 97.72114 31.33308       144.4391 
1 1 1 20  11 0  o 256.4264 77.32929 1.622239       1.893686  -0.7574739     2.548495  4.556035       2.829674  197.6257 93.88160 315.2271 122.9045 -117.6014      154.6586 
1 1 1 20  11 1  o 359.3747 81.07310 5.110424       2.134190  10.15165       3.084681  0.4815197      2.955842  494.1728 123.6092 224.5765 104.9388 269.5963       162.1462 
1 1 1 20  11 2  o 174.8446 60.68124 -3.172241      1.828978  -0.2966860     2.662656  -5.741074      2.516646  205.2142 97.03581 144.4750 72.88966 60.73923       121.3625 
1 1 1 20  11 3  o 225.0399 76.49847 0.1662782      2.337675  0.2045177      4.561662  0.1526593      2.722309  238.2250 116.1892 211.8549 99.53966 26.37013       152.9969 
1 1 1 20  11 4  o 222.6989 76.97018 -0.7828556     2.685266  1.674910       4.470037  -2.170586      3.358871  248.5304 119.7147 196.8674 96.77825 51.66293       153.9404 
1 1 1 20  11 5  o 179.9294 86.58100 -1.104430      2.323161  -1.104430      2.323161  0.000000       0.000000  179.9294 86.58100 ?        ?        ?              ?        
1 1 1 20  11 6  o 263.5188 122.2381 3.930111       3.896627  3.930111       3.896627  0.000000       0.000000  263.5188 122.2381 ?        ?        ?              ?        
1 1 1 20  11 7  o 194.9572 65.00419 0.1117344      1.736796  -1.766443      2.756843  1.347727       2.236411  177.5893 87.37442 212.3250 96.26987 -34.73561      130.0084 
1 1 1 20  12 0  o 210.4516 69.39171 0.2214791      1.810174  -0.1611513     2.498486  0.6442376      2.626233  202.3340 95.16046 218.5692 101.0214 -16.23520      138.7834 
1 1 1 20  12 1  o 247.8262 81.78904 1.749750       2.283787  3.281096       4.463202  1.206581       2.658137  267.6313 126.2694 228.0211 103.9895 39.61024       163.5781 
1 1 1 20  12 2  o 208.9266 71.10777 -0.5224399     2.208624  0.3583761      2.669841  -2.432031      3.931089  212.1817 99.33482 205.6716 101.7735 6.510086       142.2155 
1 1 1 20  12 3  o 257.7058 84.16877 2.769844       2.402172  2.677532       2.709217  3.109256       5.194899  255.0204 111.2759 260.3913 126.3139 -5.370895      168.3375 
1 1 1 20  12 4  o 258.4478 83.56609 2.311670       2.489379  -0.6999359     3.283460  6.382907       3.817648  206.0387 100.0566 310.8570 133.8725 -104.8184      167.1322 
1 1 1 20  12 5  o 250.1039 108.9690 2.792805       2.589458  2.792805       2.589458  0.000000       0.000000  250.1039 108.9690 ?        ?        ?              ?        
1 1 1 20  12 6  o 248.1050 77.66532 2.768367       2.000027  4.933617       2.905900  0.8194562      2.756910  287.6269 119.9724 208.5831 98.66226 79.04376       155.3306 
1 1 1 20  12 7  o 216.0390 70.97521 1.530412       2.150025  -4.474225      4.465549  3.342406       2.453070  183.6295 93.10304 248.4485 107.1529 -64.81897      141.9504 
1 1 1 20  13 0  o 325.9579 89.94843 5.759666       2.153673  5.617166       2.467106  6.216033       4.415072  350.7833 117.7417 301.1325 136.0139 49.65079       179.8969 
1 1 1 20  13 1  o 251.3763 72.79523 1.358026       1.828932  -2.872962      2.630082  5.319755       2.545017  169.2026 83.64013 333.5501 119.1676 -164.3475      145.5905 
1 1 1 20  13 2  o 252.2185 81.86026 2.781235       2.408806  3.303535       3.059091  1.928923       3.907798  262.6891 116.2925 241.7480 115.2409 20.94116       163.7205 
1 1 1 20  13 3  o 233.9995 77.06020 1.816973       2.269892  2.571209       2.771964  0.2817870      3.954707  245.9914 109.6960 222.0077 108.2584 23.98370       154.1204 
1 1 1 20  13 4  o 271.3928 85.75329 4.475756       2.535698  5.907288       3.334654  2.513256       3.904406  302.5469 127.5028 240.2387 114.7064 62.30820       171.5066 
1 1 1 20  13 5  o 225.6367 72.03735 1.807155       1.771239  3.395967       2.615941  0.4621077      2.406914  254.5336 110.2130 196.7397 92.79341 57.79396       144.0747 
1 1 1 20  13 6  o 175.9449 62.04509 -2.008058      2.126408  -2.327721      3.683522  -1.848288      2.604140  184.0205 92.22271 167.8694 83.02616 16.15111       124.0902 
1 1 1 20  14 0  o 216.6224 72.50219 0.7330093      2.115605  1.253064       2.672825  -0.1393574     3.461747  220.8997 102.0335 212.3451 103.0312 8.554596       145.0044 
1 1 1 20  14 1  o 202.7490 69.01020 -0.2219109     2.109032  0.5544823      2.728714  -1.373868      3.323803  208.9341 98.62299 196.5640 96.55639 12.37010       138.0204 
1 1 1 20  14 2  f 192.7285 92.89657 -0.4556093     2.702628  -0.4556093     2.702628  0.000000       0.000000  192.7285 92.89657 ?        ?        ?              ?        
1 1 1 20  14 3  o 259.1168 115.5206 3.851908       3.072108  3.851908       3.072108  0.000000       0.000000  259.1168 115.5206 ?        ?        ?              ?        
1 1 1 20  14 4  o 207.5014 70.80969 0.7609080      2.217767  0.3174307      2.970761  1.319208       3.333233  200.1128 96.68699 214.8899 103.4779 -14.77704      141.6194 
1 1 1 20  14 5  o 208.9237 71.32740 1.285900       2.087023  2.873657       3.882519  0.6406720      2.475018  224.7127 109.0507 193.1347 91.96921 31.57803       142.6548 
1 1 1 20  15 0  o 209.6262 98.52068 0.9864832      2.670094  0.9864832      2.670094  0.000000       0.000000  209.6262 98.52068 ?        ?        ?              ?        
1 1 1 20  15 1  o 325.2824 118.4364 5.762596       2.528407  5.762596       2.528407  0.000000       0.000000  325.2824 118.4364 ?        ?        ?              ?        
1 1 1 20  15 2  o 282.4524 84.76023 5.650848       2.429350  7.329464       3.016867  2.554740       4.097212  336.4347 128.0053 228.4701 111.1388 107.9646       169.5205 
1 1 1 20  15 3  o 184.1024 65.58244 -2.751108      2.747554  -3.865652      3.659010  -1.310225      4.160345  173.2856 87.48098 194.9193 97.73077 -21.63367      131.1649 
1 1 1 20  15 4  o 179.8616 91.13255 -3.343246      4.230666  0.000000       0.000000  -3.343246      4.230666  ?        ?        179.8616 91.13255 ?              ?        
1 1 1 20  16 0  o 237.0567 75.56017 3.269191       2.178991  4.450957       2.502669  -0.4335980     4.429984  272.1937 112.2454 201.9197 101.1846 70.27393       151.1203 
1 1 1 20  16 1  o 215.7350 74.45660 2.179853       2.663283  2.347588       3.454166  1.933944       4.182339  217.5683 104.9067 213.9018 105.6869 3.666519       148.9132 
1 1 1 20  16 2  o 193.3130 68.65170 -0.4268068     2.758042  -1.123305      3.334236  1.082486       4.908208  181.2973 90.37771 205.3287 103.3639 -24.03145      137.3034 
1 1 1 21  0  0  o 543.7327 97.84099 10.54687       3.293140  10.54687       3.293140  10.54687       3.293140  543.7327 138.3681 543.7327 138.3681 0.000000       0.000000 
1 1 1 21  0  1  o 131.8565 65.92842 -2.115212      2.540812  -2.115212      2.540812  -2.115212      2.540812  131.8565 93.23687 131.8565 93.23687 0.000000       0.000000 
1 1 1 21  0  2  o 654.6595 70.18649 13.21446       3.065826  13.21446       3.065826  13.21446       3.065826  654.6595 99.25868 654.6595 99.25868 0.000000       0.000000 
1 1 1 21  0  3  o 227.5106 96.29266 2.773819       2.795631  2.773819       2.795631  2.773819       2.795631  227.5106 136.1784 227.5106 136.1784 0.000000       0.000000 
1 1 1 21  0  4  o 160.1657 77.44118 -0.2932509     2.797745  -0.2932509     2.797745  -0.2932509     2.797745  160.1657 109.5184 160.1657 109.5184 0.000000       0.000000 
1 1 1 21  0  5  o 159.5220 78.06615 -0.6405249     3.051319  -0.6405249     3.051319  -0.6405249     3.051319  159.5220 110.4022 159.5220 110.4022 0.000000       0.000000 
1 1 1 21  0  6  o 132.3766 65.67087 -1.359013      2.369614  -1.359013      2.369614  -1.359013      2.369614  132.3766 92.87263 132.3766 92.87263 0.000000       0.000000 
1 1 1 21  0  7  o 152.3017 72.89509 0.1004242      2.350379  0.1004242      2.350379  0.1004242      2.350379  152.3017 103.0892 152.3017 103.0892 0.000000       0.000000 
1 1 1 21  0  8  o 118.7739 61.14172 -4.359265      3.000963  -4.359265      3.000963  -4.359265      3.000963  118.7739 86.46745 118.7739 86.46745 0.000000       0.000000 
1 1 1 21  1  0  o 362.2669 99.33150 6.219650       2.664537  6.584210       3.190498  5.379168       4.844383  392.2024 133.8843 332.3315 146.7719 59.87094       198.6630 
1 1 1 21  1  1  o 443.7314 98.04279 8.203620       2.332784  7.237019       2.826005  10.27094       4.132880  429.5723 123.4134 457.8904 152.3768 -28.31808      196.0856 
1 1 1 21  1  2  o 221.2741 71.60705 -0.6065855     1.993580  2.158461       2.642706  -4.258078      3.036916  263.3142 112.3391 179.2341 88.82687 84.08012       143.2141 
1 1 1 21  1  3  o 229.5921 70.76974 0.1598451      1.797399  3.093792       2.410137  -3.516682      2.697954  286.0606 112.8595 173.1235 85.41753 112.9371       141.5395 
1 1 1 21  1  4  o 229.9698 75.24632 0.5164168      2.055606  1.062942       3.073182  0.7392195E-01  2.765269  241.0519 110.6362 218.8877 102.0179 22.16425       150.4926 
1 1 1 21  1  5  o 336.0561 95.57938 5.764462       2.460547  5.037841       3.210330  6.799092       3.830791  322.3178 129.2387 349.7943 140.8511 -27.47656      191.1588 
1 1 1 21  1  6  o 181.4651 61.49417 -2.383402      1.670101  -5.359745      2.296870  0.9554848      2.432740  139.2157 70.16177 223.7145 101.0122 -84.49879      122.9883 
1 1 1 21  1  7  o 295.8089 85.59956 4.215810       2.038975  4.301193       2.858296  4.127342       2.909476  298.6094 121.1644 293.0085 120.9476 5.600952       171.1991 
1 1 1 21  1  8  o 282.3614 84.09439 4.048369       2.123141  2.583917       3.057574  5.411995       2.950442  249.1402 112.7991 315.5826 124.7551 -66.44240      168.1888 
1 1 1 21  2  0  o 390.0117 86.60717 6.841760       2.565772  10.05874       3.124630  0.1822973      4.495668  519.7632 121.0060 260.2602 123.9386 259.5031       173.2143 
1 1 1 21  2  1  o 299.5466 87.53699 3.389110       2.402053  5.208109       3.007817  0.1864759      3.991065  348.5729 128.8170 250.5204 118.5626 98.05258       175.0740 
1 1 1 21  2  2  o 338.4020 97.09409 5.534912       2.597286  5.596644       3.355134  5.442595       4.102910  347.0153 134.2367 329.7886 140.3195 17.22672       194.1882 
1 1 1 21  2  3  o 382.5303 101.1839 7.472891       2.620723  7.121703       3.376745  8.004852       4.155932  385.9153 137.3305 379.1454 148.6372 6.769806       202.3677 
1 1 1 21  2  4  o 525.5198 103.3154 13.27224       2.793197  12.79501       3.280303  14.53079       5.327018  583.9003 115.0583 467.1394 171.6329 116.7609       206.6308 
1 1 1 21  2  5  o 551.9819 107.8710 13.34333       2.932265  9.687579       3.474986  22.38261       5.464268  451.7911 138.6566 652.1729 165.2846 -200.3818      215.7421 
1 1 1 21  2  6  o 198.7764 66.61359 -1.721716      1.897426  -5.110633      2.675908  1.705247       2.690886  155.3410 77.95387 242.2118 108.0402 -86.87073      133.2272 
1 1 1 21  2  7  o 216.4251 70.96951 0.6019474      1.840609  0.4647635      2.442996  0.7820586      2.799249  210.4617 97.33012 222.3885 103.3128 -11.92685      141.9390 
1 1 1 21  2  8  o 304.4851 81.42828 4.603107       1.847170  3.071604       2.826359  5.744986       2.440498  258.3732 113.1725 350.5970 117.1079 -92.22388      162.8566 
1 1 1 21  3  0  o 328.8983 94.07860 4.538914       2.342281  3.782682       2.908431  5.934587       3.951145  308.9037 123.3089 348.8928 142.1198 -39.98904      188.1572 
1 1 1 21  3  1  o 295.1920 85.29700 3.168077       2.195322  5.108260       2.949336  0.7575955      3.287416  344.9514 127.5426 245.4326 113.2925 99.51874       170.5940 
1 1 1 21  3  2  o 352.5444 95.76939 5.944476       2.405479  5.975533       2.975595  5.885899       4.086573  368.4425 129.1234 336.6462 141.4717 31.79633       191.5388 
1 1 1 21  3  3  o 383.1739 95.84788 7.322974       2.455814  8.033308       3.058743  6.034498       4.119550  432.2935 129.5453 334.0544 141.2985 98.23907       191.6958 
1 1 1 21  3  4  o 323.2801 94.65403 4.391923       2.593859  1.392689       3.304145  9.208792       4.187321  248.0864 114.1796 398.4738 150.9985 -150.3874      189.3081 
1 1 1 21  3  5  o 219.7174 75.81043 -0.9409353     2.345975  -1.043202      2.668189  -0.5925692     4.924569  197.1714 94.33057 242.2635 118.7040 -45.09206      151.6209 
1 1 1 21  3  6  o 323.5783 96.23936 4.690871       2.451260  2.442715       2.893448  10.40663       4.613593  257.6248 113.6221 389.5318 155.3643 -131.9070      192.4787 
1 1 1 21  3  7  o 217.7438 71.49644 0.5975826      1.888145  -0.2149734     2.564698  1.559162       2.789986  201.0225 95.10883 234.4651 106.7768 -33.44267      142.9929 
1 1 1 21  3  8  o 245.3619 77.74887 2.498540       2.017643  3.261791       2.802859  1.677668       2.906733  260.6296 113.4670 230.0942 106.3240 30.53540       155.4977 
1 1 1 21  4  0  o 413.4019 99.69651 7.858567       2.463399  8.640459       4.065597  7.404986       3.096548  409.4039 150.0135 417.4000 131.3527 -7.996063      199.3930 
1 1 1 21  4  1  o 462.8660 94.17554 8.949515       2.411291  12.65849       3.703065  6.219179       3.177184  555.7472 133.3231 369.9848 133.0455 185.7624       188.3511 
1 1 1 21  4  2  o 457.4828 83.85020 10.43268       2.544152  3.646039       4.744904  13.17109       3.014042  292.4827 135.3960 622.4830 98.95128 -330.0003      167.7004 
1 1 1 21  4  3  f 447.6044 86.96358 8.594244       2.230909  11.68082       3.134593  5.426034       3.175775  557.5814 114.8653 337.6274 130.6010 219.9540       173.9272 
1 1 1 21  4  4  o 254.7926 79.46936 1.036373       2.212833  4.820479       3.172118  -2.550624      3.088397  317.2448 128.0210 192.3405 94.19199 124.9043       158.9387 
1 1 1 21  4  5  o 407.9121 105.2674 8.976418       2.657215  7.818805       3.068547  12.44690       5.313077  410.7845 130.9230 405.0396 164.8759 5.744934       210.5348 
1 1 1 21  4  6  o 294.1579 78.21210 3.758307       2.205155  6.319670       2.518348  -4.660947      4.565800  383.6466 118.0871 204.6692 102.5864 178.9773       156.4242 
1 1 1 21  4  7  o 233.4300 78.89175 0.7327152      2.133127  -0.1999508     2.411899  4.082164       4.570701  196.2346 92.65668 270.6253 127.7121 -74.39066      157.7835 
1 1 1 21  4  8  o 286.4441 85.40054 4.613921       2.116419  5.529152       3.115843  3.829960       2.883749  303.7393 125.2474 269.1488 116.1296 34.59055       170.8011 
1 1 1 21  5  0  o 290.9930 87.44680 2.905675       2.598697  5.735766       3.307675  -1.658461      4.200509  350.6639 133.8857 231.3220 112.5273 119.3419       174.8936 
1 1 1 21  5  1  o 476.6249 126.1871 9.230249       3.092808  0.000000       0.000000  9.230249       3.092808  ?        ?        476.6249 126.1871 ?              ?        
1 1 1 21  5  2  o 400.6248 130.9572 7.206869       3.057649  0.000000       0.000000  7.206869       3.057649  ?        ?        400.6248 130.9572 ?              ?        
1 1 1 21  5  3  o 222.8241 74.37186 -0.1504655     2.234251  -1.748515      3.495919  0.9529558      2.904939  211.0352 102.6582 234.6130 107.6382 -23.57784      148.7437 
1 1 1 21  5  4  o 228.6095 79.57030 -1.743127      3.246076  -0.9890143     4.269239  -2.776511      4.997618  230.1970 112.3022 227.0221 112.7561 3.174896       159.1406 
1 1 1 21  5  5  o 223.3618 74.11844 0.1099449      2.266352  -5.072953      4.523366  1.847111       2.618763  202.9577 101.7809 243.7659 107.7721 -40.80818      148.2369 
1 1 1 21  5  6  o 268.0251 78.69755 2.250788       2.392427  5.882474       2.806962  -7.393558      4.574238  347.1602 125.0311 188.8900 95.60571 158.2701       157.3951 
1 1 1 21  5  7  o 199.2363 68.57655 -1.461431      2.334939  0.6158497      2.735321  -7.040248      4.482618  213.6301 100.1824 184.8425 93.67204 28.78761       137.1531 
1 1 1 21  5  8  o 201.4502 95.76501 0.3271475      2.660677  0.3271475      2.660677  0.000000       0.000000  201.4502 95.76501 ?        ?        ?              ?        
1 1 1 21  6  0  o 227.4610 75.92629 -0.7002417E-01 2.101789  0.9733480      3.792178  -0.5326429     2.525112  251.1367 117.8313 203.7853 95.78619 47.35138       151.8526 
1 1 1 21  6  1  o 238.4182 76.81293 0.9339517      2.140864  -1.979455      3.894728  2.195382       2.562762  218.8226 106.8656 258.0139 110.3660 -39.19125      153.6259 
1 1 1 21  6  2  o 308.6010 96.82051 4.830634       3.069618  7.490091       4.485553  2.488164       4.209751  347.4013 147.2203 269.8006 125.7896 77.60071       193.6410 
1 1 1 21  6  3  o 350.2291 104.9082 8.023886       3.273840  9.277629       4.538852  6.664234       4.726674  377.0401 152.7906 323.4180 143.7982 53.62207       209.8163 
1 1 1 21  6  4  o 283.0620 123.7514 3.673605       3.365252  0.000000       0.000000  3.673605       3.365252  ?        ?        283.0620 123.7514 ?              ?        
1 1 1 21  6  5  o 312.6719 120.8129 4.625214       2.715240  0.000000       0.000000  4.625214       2.715240  ?        ?        312.6719 120.8129 ?              ?        
1 1 1 21  6  6  f 327.7652 91.69637 4.878926       2.185117  10.12258       3.894456  2.469673       2.639799  404.9561 147.0588 250.5743 109.5747 154.3818       183.3927 
1 1 1 21  6  7  o 338.1454 76.25858 5.051398       1.893244  9.085008       2.667149  0.9548588      2.687874  460.8595 114.7531 215.4314 100.4649 245.4281       152.5172 
1 1 1 21  7  0  o 194.2862 65.58506 -1.113572      1.804084  -0.6447955     2.380037  -1.746695      2.765952  195.9446 92.37455 192.6278 93.12650 3.316803       131.1701 
1 1 1 21  7  1  o 246.3920 77.77171 1.517666       2.028791  0.6460591E-01  2.891041  2.927522       2.847737  219.3681 102.9121 273.4158 116.6313 -54.04773      155.5434 
1 1 1 21  7  2  f 353.3585 91.47372 5.947521       2.202204  7.876791       3.227303  4.266465       3.012550  403.7375 134.6660 302.9794 123.8339 100.7581       182.9474 
1 1 1 21  7  3  o 259.2184 80.41093 1.728273       2.090390  5.061662       3.233854  -0.6642744     2.739730  315.7811 128.5964 202.6556 96.57446 113.1255       160.8219 
1 1 1 21  7  4  o 221.6399 74.51623 -0.3452274     2.324534  -2.722542      3.253877  2.132608       3.321957  191.3934 94.31238 251.8864 115.3943 -60.49295      149.0325 
1 1 1 21  7  5  f 213.1589 73.02171 -1.347687      2.629442  -7.348102      4.632991  1.503505       3.193626  189.2109 95.81703 237.1069 110.2169 -47.89604      146.0434 
1 1 1 21  7  6  o 289.3151 88.55849 4.860577       2.386868  4.932393       3.872652  4.816585       3.031018  282.3917 127.4821 296.2385 122.9583 -13.84680      177.1170 
1 1 1 21  7  7  o 240.1490 113.4369 2.644856       3.621629  0.000000       0.000000  2.644856       3.621629  ?        ?        240.1490 113.4369 ?              ?        
1 1 1 21  8  0  o 193.7195 65.62447 -1.145862      1.835451  -0.9158313     2.673255  -1.351014      2.524562  198.8929 94.95089 188.5460 90.61243 10.34689       131.2489 
1 1 1 21  8  1  o 201.5663 67.38602 -0.4645156     1.813879  -0.4916881     2.618843  -0.4394604     2.514747  202.5605 95.91606 200.5721 94.67635 1.988403       134.7720 
1 1 1 21  8  2  o 251.2712 78.80419 1.805189       2.054667  3.892296       3.004141  -0.2922076E-01 2.816411  289.6111 121.4801 212.9312 100.4141 76.67992       157.6084 
1 1 1 21  8  3  o 266.2699 80.18864 1.304725       2.297334  6.580544       3.234418  -4.066798      3.263622  352.3427 132.9041 180.1970 89.76279 172.1457       160.3773 
1 1 1 21  8  4  o 304.9721 89.62768 4.854495       2.377370  2.796145       3.307501  7.054624       3.419514  258.7979 117.2319 351.1464 135.6067 -92.34851      179.2554 
1 1 1 21  8  5  o 182.2680 63.70145 -2.998894      2.174986  -0.7548560     3.016581  -5.428532      3.138850  200.8742 97.14849 163.6618 82.42373 37.21242       127.4029 
1 1 1 21  8  6  o 213.5726 71.59545 0.7031511      1.987311  0.2506036      2.474533  1.525308       3.335327  199.2849 94.02239 227.8604 107.9973 -28.57549      143.1909 
1 1 1 21  9  0  o 228.9398 73.97386 0.9879265      1.943138  1.903322       2.680514  -0.2584957E-01 2.820880  244.9018 108.6168 212.9777 100.4536 31.92403       147.9477 
1 1 1 21  9  1  o 221.1845 72.41109 0.3237144      2.008215  -1.845085      2.956729  2.181014       2.736168  192.4883 93.80737 249.8807 110.3342 -57.39241      144.8222 
1 1 1 21  9  2  o 287.9850 86.39472 3.881007       2.176209  5.465143       3.339929  2.712288       2.868772  316.3529 129.9693 259.6172 113.8603 56.73569       172.7894 
1 1 1 21  9  3  o 277.7128 84.09979 3.268772       2.199968  0.9363267      2.965210  6.124784       3.281178  225.2910 105.2163 330.1347 131.2274 -104.8437      168.1996 
1 1 1 21  9  4  o 233.3266 79.19620 0.9714177      2.575352  -0.2026107     3.229997  3.020304       4.266991  210.9789 101.6600 255.6742 121.4636 -44.69533      158.3924 
1 1 1 21  9  5  o 245.3750 78.85278 2.139526       2.199495  -0.2662571     2.979684  5.019852       3.260340  202.0325 97.42048 288.7175 124.0173 -86.68503      157.7056 
1 1 1 21  9  6  f 229.0819 75.29930 1.520061       2.093440  -0.6955431     2.731427  4.674458       3.259130  187.5134 91.10615 270.6505 119.9150 -83.13702      150.5986 
1 1 1 21  10 0  o 291.8384 81.63922 3.790513       1.861928  2.381062       2.631804  5.202880       2.634526  251.6622 109.7463 332.0146 120.8950 -80.35234      163.2784 
1 1 1 21  10 1  o 200.7558 67.76158 -0.5776837     1.956697  0.4334401      2.570617  -1.970516      3.017065  211.2042 98.41176 190.3073 93.17538 20.89691       135.5232 
1 1 1 21  10 2  o 201.0878 69.79502 -1.638311      2.401211  -1.925477      3.153780  -1.242247      3.703796  192.5883 94.49210 209.5874 102.7454 -16.99908      139.5900 
1 1 1 21  10 3  o 324.1523 96.80809 6.926289       2.660331  5.784214       3.362833  8.836555       4.349154  309.5988 129.0923 338.7059 144.2997 -29.10715      193.6162 
1 1 1 21  10 4  o 221.9391 77.98184 -0.5270753     3.374679  -2.808802      4.710762  1.878348       4.836766  205.9217 103.3493 237.9566 116.8058 -32.03493      155.9637 
1 1 1 21  10 5  o 242.9575 80.25406 2.548550       2.363001  5.751643       3.797479  0.5246499      3.018597  278.9342 126.0508 206.9808 99.36820 71.95341       160.5081 
1 1 1 21  11 0  o 220.1948 75.82288 -0.5269624     2.238943  -1.986651      2.607294  3.572053       4.369178  177.3163 86.77293 263.0733 124.3660 -85.75697      151.6458 
1 1 1 21  11 1  o 273.9210 85.50854 4.037440       2.440789  5.216048       3.154417  2.278942       3.853057  302.7274 125.5261 245.1147 116.1466 57.61272       171.0171 
1 1 1 21  11 2  o 292.1148 94.01765 6.275485       3.034106  5.300563       4.076849  7.485878       4.542582  280.4094 128.2310 303.8203 137.5285 -23.41095      188.0353 
1 1 1 21  11 3  o 339.5796 132.9194 7.407279       3.319530  7.407279       3.319530  0.000000       0.000000  339.5796 132.9194 ?        ?        ?              ?        
1 1 1 21  11 4  o 232.9654 108.6430 2.464433       3.143418  2.464433       3.143418  0.000000       0.000000  232.9654 108.6430 ?        ?        ?              ?        
1 1 1 21  12 0  o 227.6308 77.23215 -0.5714249E-01 2.814628  -6.492032      4.302249  4.757913       3.721566  180.8966 91.68243 274.3650 124.3123 -93.46838      154.4643 
1 1 1 21  12 1  o 207.8714 97.48203 0.7671648      2.589867  0.7671648      2.589867  0.000000       0.000000  207.8714 97.48203 ?        ?        ?              ?        
1 1 1 21  12 2  o 198.4878 67.35690 0.7874203E-01  1.968501  -0.6164523     2.949859  0.6368645      2.643096  192.9793 93.97020 203.9963 96.52673 -11.01701      134.7138 
1 1 1 21  12 3  o 224.9554 75.77862 2.099890       2.342020  2.133430       4.023752  2.082705       2.880168  225.9622 109.9696 223.9486 104.2894 2.013611       151.5572 
1 1 1 21  13 0  o 194.7592 65.08241 -0.2057708     1.858487  2.073655       2.351679  -3.997431      3.033053  225.4949 100.7618 164.0236 82.40112 61.47134       130.1648 
1 1 1 21  13 1  o 205.3813 70.04955 0.4786021      2.116441  2.374605       3.300363  -0.8456958     2.758259  227.3620 107.6646 183.4007 89.64430 43.96135       140.0991 
1 1 1 21  13 2  o 139.6850 70.42648 -5.131876      1.999161  -7.662972      3.904062  -4.232290      2.327468  ?        ?        139.6850 70.42648 ?              ?        
1 1 1 21  14 0  o 322.2506 84.44993 6.987295       2.329743  2.164189       3.425906  11.13658       3.177597  216.3922 104.3731 428.1089 132.7909 -211.7167      168.8999 
1 1 1 22  0  0  o 169.3772 81.88493 0.2814891E-02  3.125911  0.2814891E-02  3.125911  0.2814891E-02  3.125911  169.3772 115.8028 169.3772 115.8028 0.000000       0.000000 
1 1 1 22  0  1  o 173.6541 81.24886 0.7919131      2.639566  0.7919131      2.639566  0.7919131      2.639566  173.6541 114.9032 173.6541 114.9032 0.000000       0.000000 
1 1 1 22  0  2  o 207.6449 88.77531 2.293037       2.424767  2.293037       2.424767  2.293037       2.424767  207.6449 125.5472 207.6449 125.5472 0.000000       0.000000 
1 1 1 22  0  3  o 167.3206 78.66176 0.6730306      2.522228  0.6730306      2.522228  0.6730306      2.522228  167.3206 111.2445 167.3206 111.2445 0.000000       0.000000 
1 1 1 22  0  4  o 167.1326 79.97285 0.4836532      2.825196  0.4836532      2.825196  0.4836532      2.825196  167.1326 113.0987 167.1326 113.0987 0.000000       0.000000 
1 1 1 22  0  5  o 150.5898 74.96757 -1.050003      3.171918  -1.050003      3.171918  -1.050003      3.171918  150.5898 106.0201 150.5898 106.0201 0.000000       0.000000 
1 1 1 22  0  6  o 137.6305 69.43904 -1.834387      3.054405  -1.834387      3.054405  -1.834387      3.054405  137.6305 98.20163 137.6305 98.20163 0.000000       0.000000 
1 1 1 22  1  0  f 236.9862 76.17188 1.186550       2.011857  0.4954405      3.026059  1.734028       2.693313  228.3271 106.5187 245.6453 108.9146 -17.31812      152.3438 
1 1 1 22  1  1  o 237.8365 74.65601 1.098422       1.889593  3.109040       2.674866  -0.9044660     2.669719  276.7868 115.2483 198.8862 94.93115 77.90062       149.3120 
1 1 1 22  1  2  o 226.5376 73.43567 0.7294216      1.998222  -1.584617      3.363778  1.991312       2.484007  206.5872 100.5418 246.4881 107.0632 -39.90091      146.8713 
1 1 1 22  1  3  o 223.3167 73.07684 0.5870011      1.999782  -0.9110891     2.896096  1.952252       2.764714  201.6031 96.92742 245.0302 109.3891 -43.42711      146.1537 
1 1 1 22  1  4  o 254.4077 80.09090 2.592243       2.091210  2.084304       3.352690  2.915700       2.675443  246.7063 114.0667 262.1091 112.4589 -15.40283      160.1818 
1 1 1 22  1  5  o 276.8610 82.57637 3.571443       2.178559  6.185128       3.024194  0.7519230      3.141020  333.3341 127.8406 220.3879 104.5572 112.9462       165.1527 
1 1 1 22  1  6  o 212.5535 70.78370 0.9354393      1.971787  0.5652928      2.907148  1.250787       2.683334  208.7377 99.47522 216.3693 100.7274 -7.631546      141.5674 
1 1 1 22  2  0  o 278.9073 83.89640 2.998598       2.172386  4.854119       3.054280  1.098836       3.090477  319.3772 126.7169 238.4375 109.9875 80.93962       167.7928 
1 1 1 22  2  1  o 251.9634 82.71124 1.684417       2.580462  -1.104191      5.029430  2.680786       3.006321  238.4346 117.4464 265.4922 116.4944 -27.05766      165.4225 
1 1 1 22  2  2  o 288.4442 87.05774 3.916478       2.269467  3.335999       3.427424  4.369693       3.028493  275.2005 122.4007 301.6878 123.8316 -26.48730      174.1155 
1 1 1 22  2  3  o 219.6414 73.13925 0.1051068      2.111243  -1.413339      2.899058  1.819807       3.080714  195.1827 94.60673 244.1000 111.5660 -48.91731      146.2785 
1 1 1 22  2  4  o 177.4859 62.56383 -4.237198      2.244277  -1.431825      3.172298  -7.048197      3.175477  198.7738 96.93558 156.1980 79.12286 42.57582       125.1277 
1 1 1 22  2  5  o 242.1470 76.21393 0.2323585      2.093301  6.226471       3.218687  -4.161329      2.755693  323.9372 129.5769 160.3569 80.27502 163.5803       152.4279 
1 1 1 22  2  6  o 200.0840 68.30241 -0.1846102     2.071816  -1.158137      2.828872  0.9417197      3.042791  185.8937 90.84632 214.2743 102.0187 -28.38065      136.6048 
1 1 1 22  3  0  o 251.4116 79.40189 1.978379       2.062456  1.978921       2.891659  1.977818       2.942513  251.2202 112.0327 251.6031 112.5492 -0.3829041     158.8038 
1 1 1 22  3  1  o 324.7137 87.53809 4.792407       2.057493  6.816931       3.063604  3.129029       2.776941  374.6248 131.0342 274.8025 116.1107 99.82230       175.0762 
1 1 1 22  3  2  o 243.3275 76.49701 1.013916       2.097589  4.216291       2.917783  -2.411345      3.017614  298.0398 121.8492 188.6152 92.51994 109.4246       152.9940 
1 1 1 22  3  3  o 252.6072 80.38679 1.651136       2.255136  4.974155       3.344063  -1.120612      3.054111  303.7892 127.8361 201.4252 97.49915 102.3641       160.7736 
1 1 1 22  3  4  o 259.1173 83.48618 2.992682       2.428192  2.123091       3.420244  3.876386       3.447887  244.8405 113.8946 273.3940 122.0975 -28.55351      166.9724 
1 1 1 22  3  5  o 251.5163 80.98914 2.916317       2.257422  3.743442       3.362252  2.237441       3.046069  263.8387 118.9752 239.1938 109.9175 24.64488       161.9783 
1 1 1 22  4  0  f 346.4770 88.24133 5.658289       2.006059  5.969528       2.620857  5.217981       3.117275  368.7568 121.2773 324.1972 128.2106 44.55957       176.4827 
1 1 1 22  4  1  f 210.9524 70.38488 -0.8772812E-01 1.957126  0.6846673E-01  2.626440  -0.2827444     2.934739  210.1533 98.42943 211.7514 100.6368 -1.598145      140.7698 
1 1 1 22  4  2  o 233.2271 76.96737 1.055166       2.216561  1.667140       3.353529  0.5803982      2.953768  243.7772 113.1927 222.6770 104.3231 21.10025       153.9347 
1 1 1 22  4  3  o 220.7590 74.38163 0.3120082      2.294770  0.2879881      3.350756  0.3332255      3.149202  221.9536 106.0554 219.5645 104.3204 2.389175       148.7633 
1 1 1 22  4  4  o 207.1409 72.61775 -1.690029      2.717814  -1.368534      3.239570  -2.454024      4.993965  198.2448 96.95301 216.0369 108.1363 -17.79205      145.2355 
1 1 1 22  4  5  o 273.2189 84.30813 4.234237       2.267299  2.899229       3.338292  5.377362       3.089079  246.8153 114.0132 299.6225 124.2274 -52.80713      168.6163 
1 1 1 22  5  0  o 300.1152 95.40729 5.242465       3.068587  4.096384       4.465209  6.268116       4.224097  282.1271 130.8639 318.1034 138.8699 -35.97623      190.8146 
1 1 1 22  5  1  o 249.3180 82.42870 1.457449       2.417483  -0.1665891E-01 2.975109  4.322394       4.147594  214.6458 101.8113 283.9902 129.6627 -69.34438      164.8574 
1 1 1 22  5  2  o 241.4831 79.98400 1.389537       2.568056  3.134756       3.313747  -1.234619      4.063397  265.1773 118.9713 217.7888 106.9373 47.38857       159.9680 
1 1 1 22  5  3  o 249.0198 79.69447 1.501114       2.364371  5.398388       3.331333  -2.454693      3.356256  306.1365 128.1384 191.9030 94.79129 114.2335       159.3889 
1 1 1 22  5  4  o 211.4858 101.9307 -2.150650      2.749056  0.6405077E-01  3.252444  -7.690772      5.144131  211.4858 101.9307 ?        ?        ?              ?        
1 1 1 22  5  5  o 266.1128 85.51620 4.448364       2.564721  5.883525       3.573959  2.924618       3.682607  290.0841 127.1576 242.1414 114.3811 47.94269       171.0324 
1 1 1 22  6  0  o 216.1082 73.33070 -0.1328041     2.183445  0.6078501E-01  2.583470  -0.6167989     4.084917  207.1151 97.20218 225.1013 109.8240 -17.98624      146.6614 
1 1 1 22  6  1  o 307.0398 122.0134 4.694909       2.835858  4.694909       2.835858  0.000000       0.000000  307.0398 122.0134 ?        ?        ?              ?        
1 1 1 22  6  2  o 233.2145 80.74371 0.3490956E-01  3.070190  3.169984       4.836656  -2.080867      3.973344  259.5191 124.8907 206.9099 102.3744 52.60916       161.4874 
1 1 1 22  6  3  o 226.5502 78.77389 0.1130864      3.111982  1.081593       4.737773  -0.6218605     4.127156  235.9011 115.7579 217.1993 106.8710 18.70183       157.5478 
1 1 1 22  6  4  o 241.2216 112.6423 2.591756       3.396885  2.591756       3.396885  0.000000       0.000000  241.2216 112.6423 ?        ?        ?              ?        
1 1 1 22  7  0  o 255.3331 80.41264 2.679306       2.102431  2.992994       2.967611  2.363208       2.978994  261.5270 115.2202 249.1391 112.2010 12.38791       160.8253 
1 1 1 22  7  1  o 252.7586 82.71287 2.694496       2.497882  3.013215       3.047637  2.042207       4.359929  258.9154 115.2725 246.6017 118.6504 12.31375       165.4257 
1 1 1 22  7  2  o 202.2128 70.65295 -1.596661      2.326728  -2.719961      2.807243  0.8683923      4.158581  174.0685 86.11187 230.3571 112.0362 -56.28857      141.3059 
1 1 1 22  7  3  o 236.5129 81.07664 1.980786       3.028534  2.535623       3.987490  1.224406       4.655722  241.6186 115.5192 231.4071 113.7937 10.21152       162.1533 
1 1 1 22  7  4  o 220.2516 76.12601 1.060461       2.734172  0.7846696      3.399316  1.565832       4.601570  213.4803 103.2157 227.0229 111.9250 -13.54257      152.2520 
1 1 1 22  8  0  o 240.4695 80.81132 1.813038       2.788283  3.190372       3.398375  -1.023976      4.877333  258.0130 117.6339 222.9259 110.8339 35.08707       161.6226 
1 1 1 22  8  1  o 235.0162 80.60009 1.499656       2.989960  1.288348       4.411451  1.679208       4.066469  234.0078 114.1604 236.0247 113.8108 -2.016907      161.2002 
1 1 1 22  8  2  o 290.8795 94.54513 7.030947       3.205665  6.838068       4.825922  7.183259       4.288504  283.0699 132.8495 298.6891 134.5590 -15.61917      189.0903 
1 1 1 22  8  3  o 312.9229 98.77708 9.227951       3.197982  9.018936       4.248031  9.501349       4.858443  320.2686 139.5539 305.5772 139.8297 14.69141       197.5542 
1 1 1 22  9  0  o 243.1100 82.62238 2.614897       2.978594  3.895036       4.226850  1.352154       4.198035  256.1786 121.4652 230.0414 112.0358 26.13728       165.2448 
1 1 1 22  9  1  o 244.8416 83.72329 3.064589       3.099090  5.225202       4.775100  1.492189       4.073573  262.1389 125.6177 227.5443 110.7184 34.59464       167.4466 
1 1 1 22  9  2  o 214.0571 73.37243 0.8168322      2.523208  -1.948059      4.761669  1.896307       2.975270  204.2928 102.7088 223.8214 104.8092 -19.52855      146.7449 
1 1 1 22  10 0  o 222.6114 75.42210 1.241982       2.328933  4.171944       3.737703  -0.6174831     2.977610  253.2971 118.2398 191.9257 93.66594 61.37135       150.8442 
1 1 1 22  10 1  o 202.1850 69.69845 0.1362813      2.357634  -1.913151      3.999393  1.227779       2.918695  193.5546 96.86644 210.8154 100.2416 -17.26080      139.3969 
1 1 1 23  0  0  o 190.4900 89.30099 1.917759       3.213895  1.917759       3.213895  1.917759       3.213895  190.4900 126.2907 190.4900 126.2907 0.000000       0.000000 
1 1 1 23  0  1  o 200.2265 90.09060 2.507694       2.834465  2.507694       2.834465  2.507694       2.834465  200.2265 127.4073 200.2265 127.4073 0.000000       0.000000 
1 1 1 23  0  2  o 184.7032 85.94947 1.903544       2.889546  1.903544       2.889546  1.903544       2.889546  184.7032 121.5509 184.7032 121.5509 0.000000       0.000000 
1 1 1 23  1  0  o 210.4301 72.04360 -0.1947181     2.386774  1.107473       2.703407  -4.797370      5.082510  218.5618 101.5329 202.2984 102.2360 16.26340       144.0872 
1 1 1 23  1  1  o 253.3944 79.22710 3.101873       2.010143  3.609513       2.834676  2.588393       2.850936  264.0107 114.5222 242.7781 109.5098 21.23262       158.4542 
1 1 1 23  1  2  o 216.0620 72.48446 1.122722       2.068528  1.716664       3.425616  0.7818757      2.595052  225.9445 107.7598 206.1796 96.97324 19.76485       144.9689 
1 1 1 23  2  0  o 214.4317 72.81004 0.4107659      2.285856  0.5526041      3.018088  0.2199376      3.500715  213.3916 101.5999 215.4717 104.3200 -2.080048      145.6201 
1 1 1 23  2  1  o 299.5403 89.41788 5.721319       2.326891  6.138458       3.330735  5.323640       3.252115  307.5070 128.3690 291.5736 124.5136 15.93341       178.8358 
1 1 1 23  3  0  o 163.8152 57.66848 -3.250484      1.864030  -4.275782      2.547690  -2.069326      2.734486  151.3909 75.98421 176.2395 86.76991 -24.84856      115.3370 
1 1 1 23  3  1  o 271.1777 82.15073 3.506498       2.240809  -0.3545766E-01 3.111861  7.321007       3.229371  203.4433 98.46111 338.9120 131.5309 -135.4687      164.3015 
1 1 1 23  4  0  o 230.7952 78.08307 1.891975       2.531068  1.982836       3.047488  1.689924       4.544472  229.9296 107.1419 231.6608 113.6155 -1.731201      156.1661 
# 
#END OF REFLECTIONS
